# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-21T18:56:08+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (volume = 10 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
"1000128","7.771","0.003","11.578","0.001","11.852","0.004","90","","105.5","0.04","90","","1027.6","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetraamminepalladium dichromate","","- Cr2 H12 N4 O7 Pd -","- Cr2 H12 N4 O7 Pd -","- Cr8 H48 N16 O28 Pd4 -","4","1","","Laligant, Y; Le Bail, A","Structure of (Pd (N H3)4) Cr2 O7","Powder Diffraction","1995","10","3","159","164","10.1017/S0885715600014640","","","","","","0.075","","","","","","","","","","","","","","","has coordinates","200367","2020-10-21","18:00:00",""
"1001469","8.4088","0.0003","8.4088","0.0003","8.4088","0.0003","90","","90","","90","","594.6","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Dibarium cerium(IV) platinum(IV) oxide","","- Ba2 Ce O6 Pt -","- Ba2 Ce O6 Pt -","- Ba8 Ce4 O24 Pt4 -","4","0.0208333","","Ouchetto, K; Archaimbault, F; Pineau, A; Choisnet, J","Chemical and structural characterization of a new barium ceroplatinate: Ba~2~CePtO~6~ a double perovskite mixed oxide","Journal of Materials Science. Letters","1991","10","","1277","1279","10.1007/BF00720945","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008748","4.513","","4.513","","7.355","","90","","90","","120","","129.7","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Dideuterium oxide","Ice Ih deuterated","- D2 O -","- D2 H2 O -","- D8 H8 O4 -","4","0.166667","","Peterson, S W; Levy, H A","A Single-Crystal Neutron Diffraction Study of Heavy Ice","Acta Crystallographica (1,1948-23,1967)","1957","10","","70","76","10.1107/S0365110X5700016X","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1008749","4.489","","4.489","","7.327","","90","","90","","120","","127.9","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Dideuterium oxide","Ice Ih deuterated","- D2 O -","- D2 O -","- D8 O4 -","4","0.166667","","Peterson, S W; Levy, H A","A Single-Crystal Neutron Diffraction Study of Heavy Ice","Acta Crystallographica (1,1948-23,1967)","1957","10","","70","76","10.1107/S0365110X5700016X","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1008776","5.661","","5.661","","4.712","","90","","90","","90","","151","","","","","","","","","","","","synthetic by evaporation at 316 K","4","P -4 21 m","P -4 2ab","113","","Urea","Urea","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Worsham, J E jr.; Levy, H A; Peterson, S W","The positions of hydrogen atoms in urea by neutron diffraction","Acta Crystallographica (1,1948-23,1967)","1957","10","","319","323","10.1107/S0365110X57000924","","","","","","","","","","","","","","","","","","","","","has coordinates","186305","2020-10-21","18:00:00",""
"1008819","3.8816","0.0001","3.8816","0.0001","9.5163","0.0003","90","","90","","90","","143.4","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Mercury barium copper oxide (1/2/1/4.34)","","- Ba2 Cu Hg O4.34 -","- Ba2 Cu Hg O4.34 -","- Ba2 Cu Hg O4.34 -","1","0.0625","","Pissas, M.; Billon, B.; Charalambous, M.; Chaussy, J.; LeFloch, S.; Bordet, P.; Capponi, J. J.","Single-crystal growth and characterization of the superconductor HgBa~2~CuO~4+δ~","Superconductor Science and Technology","1997","10","8","598","604","10.1088/0953-2048/10/8/013","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","206899","2020-10-21","18:00:00",""
"1008820","3.8792","0.0001","3.8792","0.0001","9.5117","0.0002","90","","90","","90","","143.1","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Mercury barium copper oxide (1/2/1/4.27)","","- Ba2 Cu Hg O4.27 -","- Ba2 Cu Hg O4.27 -","- Ba2 Cu Hg O4.27 -","1","0.0625","","Pissas, M.; Billon, B.; Charalambous, M.; Chaussy, J.; LeFloch, S.; Bordet, P.; Capponi, J. J.","Single-crystal growth and characterization of the superconductor HgBa~2~CuO~4+δ~","Superconductor Science and Technology","1997","10","8","598","604","10.1088/0953-2048/10/8/013","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","206899","2020-10-21","18:00:00",""
"1008821","3.8776","0.0001","3.8776","0.0001","9.5005","0.0003","90","","90","","90","","142.8","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Mercury barium copper oxide (1/2/1/4.01)","","- Ba2 Cu Hg O4.01 -","- Ba2 Cu Hg O4.01 -","- Ba2 Cu Hg O4.01 -","1","0.0625","","Pissas, M.; Billon, B.; Charalambous, M.; Chaussy, J.; LeFloch, S.; Bordet, P.; Capponi, J. J.","Single-crystal growth and characterization of the superconductor HgBa~2~CuO~4+δ~","Superconductor Science and Technology","1997","10","8","598","604","10.1088/0953-2048/10/8/013","","","","","","0.077","","","","","","","","","","","","","","","has coordinates","206899","2020-10-21","18:00:00",""
"1008822","3.8793","0.0001","3.8793","0.0001","9.505","0.0001","90","","90","","90","","143","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Mercury barium copper oxide (1/2/1/4.27)","","- Ba2 Cu Hg O4.27 -","- Ba2 Cu Hg O4.27 -","- Ba2 Cu Hg O4.27 -","1","0.0625","","Pissas, M.; Billon, B.; Charalambous, M.; Chaussy, J.; LeFloch, S.; Bordet, P.; Capponi, J. J.","Single-crystal growth and characterization of the superconductor HgBa~2~CuO~4+δ~","Superconductor Science and Technology","1997","10","8","598","604","10.1088/0953-2048/10/8/013","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","206899","2020-10-21","18:00:00",""
"1008823","3.8751","0.0001","3.8751","0.0001","9.4852","0.0001","90","","90","","90","","142.4","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Mercury barium copper oxide (1/2/1/4.24)","","- Ba2 Cu Hg O4.24 -","- Ba2 Cu Hg O4.24 -","- Ba2 Cu Hg O4.24 -","1","0.0625","","Pissas, M.; Billon, B.; Charalambous, M.; Chaussy, J.; LeFloch, S.; Bordet, P.; Capponi, J. J.","Single-crystal growth and characterization of the superconductor HgBa~2~CuO~4+δ~","Superconductor Science and Technology","1997","10","8","598","604","10.1088/0953-2048/10/8/013","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","206899","2020-10-21","18:00:00",""
"1008824","3.8784","0.0001","3.8784","0.0001","9.4903","0.0001","90","","90","","90","","142.8","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Mercury barium copper oxide (1/2/1/4.31)","","- Ba2 Cu Hg O4.31 -","- Ba2 Cu Hg O4.31 -","- Ba2 Cu Hg O4.31 -","1","0.0625","","Pissas, M.; Billon, B.; Charalambous, M.; Chaussy, J.; LeFloch, S.; Bordet, P.; Capponi, J. J.","Single-crystal growth and characterization of the superconductor HgBa~2~CuO~4+δ~","Superconductor Science and Technology","1997","10","8","598","604","10.1088/0953-2048/10/8/013","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","206899","2020-10-21","18:00:00",""
"1008898","7.9976","0.0005","7.9976","0.0005","7.9976","0.0005","90","","90","","90","","511.5","","","","","","","","","","","","synthetic","4","F m -3 m","-F 4 2 3","225","","Dilead magnesiotellurate(VI)","Elpasolite","- Mg O6 Pb2 Te -","- Mg O6 Pb2 Te -","- Mg4 O24 Pb8 Te4 -","4","0.0208333","","Baldinozzi, G; Grebille, D; Sciau, Ph; Kiat, J-M; Moret, J; Berar, J-F","Rietveld refinement of the incommensurate structure of the elpasolite (ordered perovskite) Pb2 Mg Te O6","Journal of Physics: Condensed Matter","1998","10","","6461","6472","10.1088/0953-8984/10/29/006","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008899","7.9838","0.0005","7.9838","0.0005","7.9838","0.0005","90","","90","","90","","508.9","","","","","","","","","","","","synthetic","4","F m -3 m","-F 4 2 3","225","","Dilead magnesiotellurate(VI)","Elpasolite","- Mg O6 Pb2 Te -","- Mg O6 Pb2 Te -","- Mg4 O24 Pb8 Te4 -","4","0.0208333","","Baldinozzi, G; Grebille, D; Sciau, Ph; Kiat, J-M; Moret, J; Berar, J-F","Rietveld refinement of the incommensurate structure of the elpasolite (ordered perovskite) Pb2 Mg Te O6","Journal of Physics: Condensed Matter","1998","10","","6461","6472","10.1088/0953-8984/10/29/006","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008900","5.6447","0.0005","5.6447","0.0005","5.6447","0.0005","59.923","0.004","59.923","0.004","59.923","0.004","127","","","","","","","","","","","","synthetic","4","R -3 :R","-P 3*","148","","Dilead magnesiotellurate(VI)","Elpasolite","- Mg O6 Pb2 Te -","- Mg O6 Pb1.9998 Te -","- Mg O6 Pb1.9998 Te -","1","0.166667","","Baldinozzi, G; Grebille, D; Sciau, Ph; Kiat, J-M; Moret, J; Berar, J-F","Rietveld refinement of the incommensurate structure of the elpasolite (ordered perovskite) Pb2 Mg Te O6","Journal of Physics: Condensed Matter","1998","10","","6461","6472","10.1088/0953-8984/10/29/006","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008960","3.8245","","3.8245","","6.2818","","90","","90","","90","","91.9","","","","","","","","","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","Iron telluride (1.13/1)","","- Fe1.125 Te -","- Fe1.125 Te -","- Fe2.25 Te2 -","2","0.125","","Fruchart, D; Convert, O; Wolfers, P; Madar, R; Senateur, J P; Fruchart, R","Structure antiferromagnetique de Fe1.125 Te accompagnee d'une deformation monoclinique","Materials Research Bulletin","1974","10","","169","174","10.1016/0025-5408(75)90151-8","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008984","5.769","","5.769","","5.769","","90","","90","","90","","192","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Holmium arsenide (1/1)","","- As Ho -","- As Ho -","- As4 Ho4 -","4","0.0208333","","Levy, F","Effets magnetostrictifs spontanes de quelques composes de terres rares. II Les combinaisons Ln X","Physik der Kondensierten Materie","1969","10","","85","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008992","5.824","","5.824","","5.824","","90","","90","","90","","197.5","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Terbium arsenide (1/1)","","- As Tb -","- As Tb -","- As4 Tb4 -","4","0.0208333","","Levy, F","Effets magnetostrictifs spontanes de quelques composes de terres rares. II. Les combinaisons LnX","Physik der Kondensierten Materie","1969","10","","85","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010200","7.72","","7.72","","7.72","","90","","90","","90","","460.1","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Tetraamminetitanium chloride - $-beta","","- Cl4 H12 N4 Ti -","- Cl4 H12 N4 Ti -","- Cl8 H24 N8 Ti2 -","2","0.0625","","Brager, A","An X-Ray Examination of Titanium Nitride. II.","Acta Physicochimica (USSR)","1939","10","","887","902","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010605","6","","6","","6","","90","","90","","90","","216","","","","","","","","","","","","","3","P -4 3 n","P -4n 2 3","218","","Silver phosphate","","- Ag3 O4 P -","- Ag3 O P -","- Ag6 O2 P2 -","2","0.0833333","","Wyckoff, R W G","Crystal structure of silver phosphate and silver arsenate (Ag~3~ X O~4~)","American Journal of Science, Serie 5(1,1921-1938)","1925","10","","107","118","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010606","6.12","","6.12","","6.12","","90","","90","","90","","229.2","","","","","","","","","","","","","3","P -4 3 n","P -4n 2 3","218","","Silver arsenate","","- Ag3 As O4 -","- Ag3 As O -","- Ag6 As2 O2 -","2","0.0833333","","Wyckoff, R W G","Crystal structure of silver phosphate and silver arsenate (Ag~3~ X O~4~)","American Journal of Science, Serie 5(1,1921-1938)","1925","10","","107","118","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010632","6.14","","8.58","","10.03","","90","","90","","90","","528.4","","","","","","","","","","","","","5","P m c n","-P 2n 2a","62","","Ammonium chlorobromoiodate(I)","","- Br Cl H4 I N -","- Br Cl H4 I N -","- Br4 Cl4 H16 I4 N4 -","4","0.5","","Mooney, R C L","The crystal structure of Ammonium chlorobromoiodide","Bulletin of the American Physical Society (-30,1955)","1935","10","","30","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010781","10.71","","10.71","","10.71","","90","","90","","90","","1228.5","","","","","","","","","","","","","6","F -4 3 m","F -4 2 3","216","","Hexaamminecobalt iodide sulfate","","- Co H18 I N6 O4 S -","- Co H18 I N6 O4 S -","- Co4 H72 I4 N24 O16 S4 -","4","0.0416667","","Hassel, O","Weitere Beobachtungen ueber Isomorphie bei kubischen Kristallen von Hexammine- und Pentammin-Aquokomplexsalzen","Norsk Geologisk Tidsskrift","1928","10","","92","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010782","","","","","","","","","","","","","","","","","","","","","","","","","","3","","","","","Hexamminecobalt(III) hexacyanocobaltate","","- Co2 H18 N12 -","","","","","","Hassel, O","Ueber die Existenz einer streng strukturtheoretisch nicht erlaubten Isomorphie hoehersymmetrischer Kristalle von Hexammin Pentamminaquo- und Tetrammindiaquo-Komplexen","Norsk Geologisk Tidsskrift","1928","10","","32","38","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010783","","","","","","","","","","","","","","","","","","","","","","","","","","4","","","","","Pentammineaquacobalt(III) hexacyanocobaltate","","- Co2 H17 N11 O -","","","","","","Hassel, O","Ueber die Existenz einer streng strukturtheoretisch nicht erlaubten Isomorphie hoehersymmetrischer Kristalle von Hexammin Pentamminaquo- und Tetrammindiaquo-Komplexen","Norsk Geologisk Tidsskrift","1928","10","","32","38","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010784","","","","","","","","","","","","","","","","","","","","","","","","","","5","","","","","Tetraamminediaquacobalt(III) hexacyanocobaltate","","- C6 H16 Co2 N10 O2 -","","","","","","Hassel, O","Ueber die Existenz einer strenq strukturtheoretisch nicht erlaubten Isomorphie hoehersymmetrischer Kristalle von Hexammin Pentamminaquo- und Tetrammindiaquo-Komplexen","Norsk Geologisk Tidsskrift","1928","10","","32","38","","","","","","","","","","","","","","","","","","","","","","","278154","2022-09-26","15:27:19",""
"1010879","8.015","","9.679","","6.244","","90","","90","","90","","484.4","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","metaboric acid - orthorhombic form","","- B H O2 -","- B H O2 -","- B12 H12 O24 -","12","1.5","","Tazaki, H.","The structure of orthorhombic metaboric acid, HBO~2~ (α)","Journal of Science of the Hiroshima University, Series A: Mathematics, Physics, Chemistry","1940","10","","55","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","200087","2020-10-21","18:00:00",""
"1010886","8.015","","9.679","","6.244","","90","","90","","90","","484.4","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Metaboric acid - $-ALPHA","","- B H O2 -","","","12","1.5","","Tazaki, H","Single crystals of metaboric acid.","Journal of Science of the Hiroshima University, Series A: Mathematics, Physics, Chemistry","1940","10","","37","54","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010887","6.76","","8.8","","7.15","","90","","92.7","","90","","424.9","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Metaboric acid - $-BETA","","- B H O2 -","","","12","3","","Tazaki, H","Single crystals of metaboric acid.","Journal of Science of the Hiroshima University, Series A: Mathematics, Physics, Chemistry","1940","10","","37","54","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1011069","4.47","","4.47","","10.89","","90","","90","","90","","217.6","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","Mercury(I) chloride","Calomel","- Cl2 Hg2 -","- Cl2 Hg2 -","- Cl4 Hg4 -","2","0.0625","","Havighurst, R J","Crystal structure of the mercurous halides","American Journal of Science, Serie 5(1,1921-1938)","1925","10","","15","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011070","4.66","","4.66","","11.12","","90","","90","","90","","241.5","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","Mercury(I) bromide","Kuzminite","- Br2 Hg2 -","- Br2 Hg2 -","- Br4 Hg4 -","2","0.0625","","Havighurst, R J","Crystal structure of the mercurous halides","American Journal of Science, Serie 5(1,1921-1938)","1925","10","","15","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011100","4.22","","4.22","","4.22","","90","","90","","90","","75.2","","","","","","","","","","","","synthetic at 1073 K","2","F m -3 m","-F 4 2 3","225","","Titanium(III) nitride","Osbornite","- N0.88 Ti0.88 -","- N0.88 Ti0.88 -","- N3.52 Ti3.52 -","4","0.0208333","","Brager, A","An X-ray examination of titanium nitride. I","Acta Physicochimica (USSR)","1939","10","","593","600","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011102","4.225","","4.225","","4.225","","90","","90","","90","","75.4","","","","","","","","","","","","synthetic","2","F m -3 m","-F 4 2 3","225","","Titanium(III) nitride","Osbornite","- N Ti -","- N Ti -","- N4 Ti4 -","4","0.0208333","","Hofmann, W; Schrader, A","Titancarbid in grauem Gusseisen","Archiv fuer das Eisenhuettenwesen","1936","10","","65","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011182","10.15","","10.15","","10.15","","90","","90","","90","","1045.7","","","","","","","","","","","","from Searles Lake, California, USA","5","F m -3 m","-F 4 2 3","225","","Sodium bis(sulfate(VI)) fluoride chloride","Sulphohalite","- Cl F Na6 O8 S2 -","- Cl F Na6 O8 S2 -","- Cl4 F4 Na24 O32 S8 -","4","0.0208333","","Watanabé, Tokunosuké","The crystal structure of sulphohalite","Proceedings of the Imperial Academy (Tokyo)","1934","10","9","575","577","10.2183/pjab1912.10.575","","","","","","","","","","","","","","","","","","","","","has coordinates","176254","2020-10-21","18:00:00",""
"1011370","4.92","","4.92","","11.61","","90","","90","","90","","281","","","","","","","","","","","","synthetic","2","I 4/m m m","-I 4 2","139","","Dimercury(I) iodide","Moschelite","- Hg2 I2 -","- Hg2 I2 -","- Hg4 I4 -","2","0.0625","","Havighurst, R J","Crystal structure of the mercurous halides","American Journal of Science, Serie 5(1,1921-1938)","1925","10","","15","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100041","4.198","0.002","4.198","0.002","8.591","0.005","90","","90","","90","","151.4","","","","","","","","","","","","","2","I 41/a m d :1","I 4bw 2bw -1bw","141","","Titanium nitride (1/0.61) - $-alpha","","- N0.61 Ti -","- N0.61 Ti -","- N4.88 Ti8 -","8","0.25","","Nagakura, S; Kusunoki, T","Structure of Ti Nx studied by electron diffraction and microscopy","Journal of Applied Crystallography","1977","10","","52","56","10.1107/S0021889877012795","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1101118","14.4479","0.0009","22.195","0.002","17.12","0.0011","90","","97.126","0.005","90","","5447.5","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H55 Cd Cl2 N18 O18.5 -","- C42 H50 Cd Cl2 N18 O18.5 -","- C168 H200 Cd4 Cl8 N72 O74 -","4","1","","Nuria A. Illán-Cabeza; Rosario A. Vilaplana; Ysmael Álvarez; Khalid Akdi; Sanae Kamah; Francisco Hueso-Ureña; Miguel Quirós; Francisco González-Vílchez; Miguel N. Moreno-Carretero","Synthesis, structure and biological activity of a new and efficient Cd(II)-uracil derivative complex system for cleavage of DNA","JBIC Journal of Biological Inorganic Chemistry","2005","10","8","924","934","10.1007/s00775-005-0045-x","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1504329","9.2494","0.0005","16.5966","0.0009","24.0869","0.0013","90","","100.324","0.001","90","","3637.7","0.3","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 1-Benzyl-4-isopropyl-2-oxo-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-b]pyridine-7-carboxylate","","- C20 H24 N2 O3 -","- C20 H24 N2 O3 -","- C160 H192 N16 O24 -","8","2","","Gao, Yongnian; Lam, Yulin","[3 + 2] Cycloaddition Reactions in the Synthesis of Triazolo[4,5-b]pyridin-5-ones and Pyrrolo[3,4-b]pyridin-2-ones","Journal of Combinatorial Chemistry","2008","10","2","327","","10.1021/cc700183a","","","0.71073","MoKα","","0.074","0.0515","","","0.1288","0.1435","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504330","14.6152","0.0005","8.5366","0.0003","17.6486","0.0007","90","","103.961","0.001","90","","2136.87","0.14","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Benzyl-4-isopropyl-7-tosyl-3,4-dihydro-1H-pyrrolo[3,4-b]pyridin-2(6H)-one","","- C24 H26 N2 O3 S -","- C24 H26 N2 O3 S -","- C96 H104 N8 O12 S4 -","4","1","","Gao, Yongnian; Lam, Yulin","[3 + 2] Cycloaddition Reactions in the Synthesis of Triazolo[4,5-b]pyridin-5-ones and Pyrrolo[3,4-b]pyridin-2-ones","Journal of Combinatorial Chemistry","2008","10","2","327","","10.1021/cc700183a","","","0.71073","MoKα","","0.0498","0.0454","","","0.1208","0.1245","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504331","8.2115","0.0007","24.22","0.002","10.234","0.0009","90","","109.503","0.002","90","","1918.6","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 F3 N O2 -","- C19 H26 F3 N O2 -","- C76 H104 F12 N4 O8 -","4","1","","Mao, Shuli; Probst, Donald; Werner, Stefan; Chen, Jianzhong; Xie, Xiangqun; Brummond, Kay M.","Diverging Rh(I)-Catalyzed Carbocylization Strategy to Prepare a Library of Unique Cyclic Ethers","Journal of Combinatorial Chemistry","2008","10","2","235","","10.1021/cc7001843","","","0.71073","MoKα","","0.0932","0.0607","","","0.1692","0.183","","","","","","1.357","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504332","7.2833","0.0011","18.243","0.003","15.361","0.002","90","","100.865","0.003","90","","2004.4","0.5","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 N O5 -","- C25 H21 N O5 -","- C100 H84 N4 O20 -","4","1","","Lai, Jiun-Ting; Shieh, Pei-Shan; Huang, Wei-Hao; Yang, Ding-Yah","Syntheses of Oxazabicycle Library via One-Pot Tandem Reactions","Journal of Combinatorial Chemistry","2008","10","3","381","","10.1021/cc8000025","","","0.71073","MoKα","","0.0652","0.0487","","","0.1468","0.1604","","","","","","1.413","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504333","11.0623","0.0007","14.4745","0.0009","14.5087","0.0009","90","","94.796","0.001","90","","2315","0.3","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 N2 O5 -","- C27 H26 N2 O5 -","- C108 H104 N8 O20 -","4","1","","Lai, Jiun-Ting; Shieh, Pei-Shan; Huang, Wei-Hao; Yang, Ding-Yah","Syntheses of Oxazabicycle Library via One-Pot Tandem Reactions","Journal of Combinatorial Chemistry","2008","10","3","381","","10.1021/cc8000025","","x-ray","0.71073","MoKα","","0.0748","0.0567","","","0.1944","0.2156","","","","","","1.27","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504334","10.2548","0.0005","17.3996","0.0013","21.2408","0.0012","90","","90","","90","","3790","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H26 N4 O3 -","- C17 H26 N4 O3 -","- C136 H208 N32 O24 -","8","1","","Shaabani, Ahmad; Maleki, Ali; Mofakham, Hamid","Novel Multicomponent One-Pot Synthesis of Tetrahydro-1H-1,5-benzodiazepine-2-carboxamide Derivatives","Journal of Combinatorial Chemistry","2008","10","4","595","","10.1021/cc8000635","","","0.71073","MoKα","","0.1205","0.0837","","","0.1676","0.1842","","","","","","1.157","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504335","7.7322","0.0005","8.2825","0.0005","18.0011","0.0011","77.605","0.001","81.459","0.001","85.056","0.001","1111.71","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H26 Cl2 N2 O2 -","- C25 H26 Cl2 N2 O2 -","- C50 H52 Cl4 N4 O4 -","2","1","","Frankowski, Kevin J.; Neuenswander, Benjamin; Aubé, Jeffrey","Explorations ofStemonaAlkaloid-Inspired Analogues: Skeletal Modification and Functional Group Diversification","Journal of Combinatorial Chemistry","2008","10","5","721","","10.1021/cc800078h","","","0.71073","MoKα","","0.0543","0.051","","","0.131","0.1339","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504336","5.2318","0.0006","8.6863","0.001","13.9249","0.0016","77.485","0.002","81.316","0.002","82.478","0.002","607.53","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H23 N O2 -","- C14 H23 N O2 -","- C28 H46 N2 O4 -","2","1","","Frankowski, Kevin J.; Neuenswander, Benjamin; Aubé, Jeffrey","Explorations ofStemonaAlkaloid-Inspired Analogues: Skeletal Modification and Functional Group Diversification","Journal of Combinatorial Chemistry","2008","10","5","721","","10.1021/cc800078h","","","0.71073","MoKα","","0.0601","0.0491","","","0.1157","0.1203","","","","","","0.979","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504337","19.3878","0.001","5.1046","0.0003","14.4014","0.0007","90","","109.734","0.001","90","","1341.56","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 O -","- C18 H20 N2 O -","- C72 H80 N8 O4 -","4","1","","Frankowski, Kevin J.; Neuenswander, Benjamin; Aubé, Jeffrey","Explorations ofStemonaAlkaloid-Inspired Analogues: Skeletal Modification and Functional Group Diversification","Journal of Combinatorial Chemistry","2008","10","5","721","","10.1021/cc800078h","","","0.71073","MoKα","","0.05","0.0448","","","0.1204","0.1242","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504338","8.6512","0.0008","15.214","0.0019","17.0046","0.0016","90","","95.071","0.008","90","","2229.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 F N3 O2 S -","- C21 H26 F N3 O2 S -","- C84 H104 F4 N12 O8 S4 -","4","1","","Shaabani, Ahmad; Maleki, Ali; Mofakham, Hamid; Khavasi, Hamid Reza","Novel Isocyanide-Based Three-Component One-Pot Synthesis of Cyanophenylamino-acetamide Derivatives","Journal of Combinatorial Chemistry","2008","10","6","883","","10.1021/cc800099r","","","0.71073","MoKα","","0.1169","0.0837","","","0.1896","0.198","","","","","","1.039","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504469","10.0212","0.0007","11.0094","0.0008","20.3173","0.0016","89.994","0.002","85.467","0.002","75.587","0.0017","2163.8","0.3","296","1","","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 N4 O6 -","- C21 H22 N4 O6 -","- C84 H88 N16 O24 -","4","2","","Cui, Sun-Liang; Wang, Jing; Wang, Yan-Guang","Facile access to pyrazolines via domino reaction of the Huisgen zwitterions with aziridines.","Organic letters","2008","10","1","13","16","10.1021/ol7022888","","","0.71075","MoKα","","","0.0689","","","","0.2443","","","","","","1.005","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504470","13.3036","0.0007","16.2479","0.0008","12.1618","0.0006","90","","114.904","0.0011","90","","2384.4","0.2","296","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Cl N3 O4 -","- C25 H22 Cl N3 O4 -","- C100 H88 Cl4 N12 O16 -","4","1","","Cui, Sun-Liang; Wang, Jing; Wang, Yan-Guang","Facile access to pyrazolines via domino reaction of the Huisgen zwitterions with aziridines.","Organic letters","2008","10","1","13","16","10.1021/ol7022888","","","0.71075","MoKα","","","0.0585","","","","0.168","","","","","","1.002","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504471","13.2953","0.0018","9.3972","0.0013","15.81","0.002","90","","110.029","0.002","90","","1855.8","0.4","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","06039","","","- C19 H26 O6 -","- C19 H26 O6 -","- C76 H104 O24 -","4","1","","Burns, Aaron C.; Forsyth, Craig J.","Intramolecular Diels-Alder/Tsuji allylation assembly of the functionalized trans-decalin of salvinorin A.","Organic letters","2008","10","1","97","100","10.1021/ol7024058","","","0.71073","MoKα","","0.0484","0.0436","","","0.1186","0.1256","","","","","","1.141","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504472","10.4487","0.0014","10.725","0.0015","15.021","0.002","90","","90","","90","","1683.3","0.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 O4 -","- C18 H26 O4 -","- C72 H104 O16 -","4","1","","Burns, Aaron C.; Forsyth, Craig J.","Intramolecular Diels-Alder/Tsuji allylation assembly of the functionalized trans-decalin of salvinorin A.","Organic letters","2008","10","1","97","100","10.1021/ol7024058","","","0.71073","MoKα","","0.0501","0.047","","","0.1327","0.1355","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504473","8.5681","0.0008","9.8276","0.0009","9.9822","0.001","90","","96.726","0.002","90","","834.75","0.14","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","07010","","","- C18 H26 O4 -","- C18 H26 O4 -","- C36 H52 O8 -","2","1","","Burns, Aaron C.; Forsyth, Craig J.","Intramolecular Diels-Alder/Tsuji allylation assembly of the functionalized trans-decalin of salvinorin A.","Organic letters","2008","10","1","97","100","10.1021/ol7024058","","","0.71073","MoKα","","0.0393","0.0358","","","0.0966","0.101","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504474","6.6117","0.0003","19.4403","0.0016","14.6195","0.0013","90","","101.003","0.003","90","","1844.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 Br O8 -","- C18 H21 Br O8 -","- C72 H84 Br4 O32 -","4","1","","Nelson, Hosea M.; Stoltz, Brian M.","Progress toward the synthesis of the basiliolides and transtaganolides: an intramolecular pyrone Diels-Alder entry into a novel class of natural products.","Organic letters","2008","10","1","25","28","10.1021/ol702501s","","","0.71073","MoKα","","0.1128","0.0691","","","0.1161","0.1245","","","","","","1.437","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1504475","11.9035","0.0003","11.9236","0.0003","15.7207","0.0004","90","","113.647","0.0007","90","","2043.93","0.09","273.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 O2 S2 -","- C23 H20 O2 S2 -","- C92 H80 O8 S8 -","4","1","","Yamashita, Fumikazu; Kuniyasu, Hitoshi; Terao, Jun; Kambe, Nobuaki","Platinum-catalyzed regio- and stereoselective arylthiolation of internal alkynes.","Organic letters","2008","10","1","101","104","10.1021/ol7025069","","","0.7107","MoKα","","","0.0445","","","","0.1144","","","","","","1.422","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504476","17.072","0.001","5.6379","0.0003","18.96","0.001","90","","99.389","0.002","90","","1800.46","0.17","273.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H20 O S -","- C22 H20 O S -","- C88 H80 O4 S4 -","4","1","","Yamashita, Fumikazu; Kuniyasu, Hitoshi; Terao, Jun; Kambe, Nobuaki","Platinum-catalyzed regio- and stereoselective arylthiolation of internal alkynes.","Organic letters","2008","10","1","101","104","10.1021/ol7025069","","","0.7107","MoKα","","","0.0387","","","","0.084","","","","","","1.045","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504477","40.402","0.001","5.9938","0.0002","18.1842","0.0006","90","","111.421","0.0009","90","","4099.3","0.2","273.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 O S -","- C27 H22 O S -","- C216 H176 O8 S8 -","8","1","","Yamashita, Fumikazu; Kuniyasu, Hitoshi; Terao, Jun; Kambe, Nobuaki","Platinum-catalyzed regio- and stereoselective arylthiolation of internal alkynes.","Organic letters","2008","10","1","101","104","10.1021/ol7025069","","","0.7107","MoKα","","","0.0342","","","","0.0755","","","","","","0.899","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504478","12.1258","0.0002","12.6152","0.0003","34.5793","0.0007","90","","100.576","0.0007","90","","5199.72","0.18","273.2","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C59 H49 Cl3 O2 P2 Pt S -","- C59 H49 Cl3 O2 P2 Pt S -","- C236 H196 Cl12 O8 P8 Pt4 S4 -","4","1","","Yamashita, Fumikazu; Kuniyasu, Hitoshi; Terao, Jun; Kambe, Nobuaki","Platinum-catalyzed regio- and stereoselective arylthiolation of internal alkynes.","Organic letters","2008","10","1","101","104","10.1021/ol7025069","","","0.7107","MoKα","","","0.0399","","","","0.0852","","","","","","1.111","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504479","11.147","0.004","18.976","0.007","9.467","0.003","90","","90","","90","","2002.5","1.2","123","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H27 N O4 -","- C24 H28 N O4 -","- C96 H112 N4 O16 -","4","1","","Taniguchi, Tsuyoshi; Tanabe, Genzo; Muraoka, Osamu; Ishibashi, Hiroyuki","Total synthesis of (+/-)-stemonamide and (+/-)-isostemonamide using a radical cascade.","Organic letters","2008","10","2","197","199","10.1021/ol702563p","","","0.71075","MoKα","","","0.1711","","","","0.4527","","","","","","1.132","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504480","12.0827","0.0005","12.7749","0.0005","13.3591","0.0008","90","","105.089","0.003","90","","1990.95","0.17","123.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N O4 -","- C24 H27 N O4 -","- C96 H108 N4 O16 -","4","1","","Taniguchi, Tsuyoshi; Tanabe, Genzo; Muraoka, Osamu; Ishibashi, Hiroyuki","Total synthesis of (+/-)-stemonamide and (+/-)-isostemonamide using a radical cascade.","Organic letters","2008","10","2","197","199","10.1021/ol702563p","","","0.71075","MoKα","","","0.0428","","","","0.1122","","","","","","0.889","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504481","23.562","0.003","23.562","0.003","16.129","0.003","90","","90","","120","","7755","2","100","2","100","2","","","","","","","","4","P 31","P 31","144","","","","- C44 H38 N2 O3 -","- C44 H38 N2 O3 -","- C396 H342 N18 O27 -","9","3","","Gerstenberger, Brian S.; Lin, Jinzhen; Mimieux, Yvette S.; Brown, Lauren E.; Oliver, Allen G.; Konopelski, Joseph P.","Structural characterization of an enantiomerically pure amino acid imidazolide and direct formation of the beta-lactam nucleus from an alpha-amino acid.","Organic letters","2008","10","3","369","372","10.1021/ol7025922","","","1.5418","CuKα","","0.0544","0.0385","","","0.05","0.0548","","","","","","0.814","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504482","11.6384","0.0008","18.8748","0.0013","23.44","0.0017","90","","90","","90","","5149.1","0.6","149","2","149","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C32 H29 N3 O2 -","- C32 H29 N3 O2 -","- C256 H232 N24 O16 -","8","1","","Gerstenberger, Brian S.; Lin, Jinzhen; Mimieux, Yvette S.; Brown, Lauren E.; Oliver, Allen G.; Konopelski, Joseph P.","Structural characterization of an enantiomerically pure amino acid imidazolide and direct formation of the beta-lactam nucleus from an alpha-amino acid.","Organic letters","2008","10","3","369","372","10.1021/ol7025922","","","0.71073","MoKα","","0.0438","0.0366","","","0.0799","0.0842","","","","","","1.036","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504483","13.3273","0.0004","16.5368","0.0005","26.0268","0.0007","90","","90","","90","","5736.1","0.3","110","","110","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2R,2'R)-4,4'-Dioxo-5,5'-bis-(triisopropylsilanyl)-3,4,3',4'-tetrahydro- 2H,2'H-['2,2']bipyridinyl-1,1'-dicarboxylic acid bis-[(1S,2R)- 2-(1-methyl-1-phenylethyl)-cyclohexyl] ester","","- C60 H92 N2 O6 Si2 -","- C60 H92 N2 O6 Si2 -","- C240 H368 N8 O24 Si8 -","4","1","","Bharathi, Pandi; Comins, Daniel L.","Asymmetric synthesis of C2-symmetric vicinal diamines via reductive dimerization of N-acylpyridinium and related salts.","Organic letters","2008","10","2","221","223","10.1021/ol702595d","","","0.7107","MoKα","","0.0398","0.0348","","","0.0805","0.0833","","","","","","1.031","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504484","7.5516","0.0002","11.5133","0.0003","17.1622","0.0005","90","","98.1398","0.0015","90","","1477.11","0.07","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 O3 -","- C17 H22 O3 -","- C68 H88 O12 -","4","1","","Dunet, Guillaume; Mayer, Peter; Knochel, Paul","Highly diastereoselective addition of cinnamylzinc derivatives to alpha-chiral carbonyl compounds.","Organic letters","2008","10","1","117","120","10.1021/ol702607t","","","0.71073","MoKα","","0.062","0.0442","","","0.1129","0.1244","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504485","12.8059","0.0004","8.5365","0.0003","14.3248","0.0006","90","","90","","90","","1565.95","0.1","200","2","200","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H23 N O -","- C18 H23 N O -","- C72 H92 N4 O4 -","4","1","","Dunet, Guillaume; Mayer, Peter; Knochel, Paul","Highly diastereoselective addition of cinnamylzinc derivatives to alpha-chiral carbonyl compounds.","Organic letters","2008","10","1","117","120","10.1021/ol702607t","","","0.71073","MoKα","","0.0456","0.0352","","","0.0781","0.0839","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504486","6.2381","0.0002","10.5891","0.0003","11.1078","0.0003","114.895","0.0016","103.505","0.0016","96.4693","0.0018","628.37","0.03","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H20 O -","- C16 H20 O -","- C32 H40 O2 -","2","1","","Dunet, Guillaume; Mayer, Peter; Knochel, Paul","Highly diastereoselective addition of cinnamylzinc derivatives to alpha-chiral carbonyl compounds.","Organic letters","2008","10","1","117","120","10.1021/ol702607t","","","0.71073","MoKα","","0.0546","0.042","","","0.1073","0.1159","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504487","11.129","0.0003","5.89","0.0002","27.1429","0.0007","90","","97.6503","0.0017","90","","1763.38","0.09","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 O2 -","- C22 H26 O2 -","- C88 H104 O8 -","4","1","","Dunet, Guillaume; Mayer, Peter; Knochel, Paul","Highly diastereoselective addition of cinnamylzinc derivatives to alpha-chiral carbonyl compounds.","Organic letters","2008","10","1","117","120","10.1021/ol702607t","","","0.71073","MoKα","","0.0611","0.0404","","","0.0945","0.1052","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504488","19.0785","0.0003","19.0785","0.0003","8.4534","0.0002","90","","90","","90","","3076.95","0.1","200","2","200","2","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C16 H24 O2 -","- C16 H24 O2 -","- C128 H192 O16 -","8","1","","Dunet, Guillaume; Mayer, Peter; Knochel, Paul","Highly diastereoselective addition of cinnamylzinc derivatives to alpha-chiral carbonyl compounds.","Organic letters","2008","10","1","117","120","10.1021/ol702607t","","","0.71073","MoKα","","0.0713","0.0642","","","0.1971","0.2057","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504489","8.4625","0.0004","9.1299","0.0004","10.2463","0.0004","79.825","0.001","66.563","0.001","76.482","0.001","703.1","0.05","180","1","180","1","","","","","","","","3","P -1","-P 1","2","","","","- C16 H16 O4 -","- C16 H16 O4 -","- C32 H32 O8 -","2","1","","Fillion, Eric; Carret, Sébastien; Mercier, Lauren G.; Trépanier, Vincent E","Sequential Rh(I)/Pd-catalyzed 1,4-addition/intramolecular allylation: stereocontrolled construction of gamma-butyrolactones and cyclopropanes.","Organic letters","2008","10","3","437","440","10.1021/ol702613f","","","0.71073","MoKα","","0.0516","0.0447","","","0.1032","0.1051","","","","","","1.96","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504490","8.4566","0.0007","10.6306","0.0009","17.7943","0.0016","90","","96.645","0.002","90","","1588.9","0.2","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O6 -","- C18 H18 O6 -","- C72 H72 O24 -","4","1","","Dang, Anh-Thu; Miller, David O.; Dawe, Louise N.; Bodwell, Graham J.","Electron-deficient dienes. 5. An inverse-electron-demand Diels-Alder approach to 2-substituted 4-methoxyxanthones and 3,4-dimethoxyxanthones.","Organic letters","2008","10","2","233","236","10.1021/ol702614b","","","0.7107","MoKα","","0.0435","0.0427","","","0.1134","0.1143","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504491","9.2279","0.0017","9.907","0.002","11.199","0.002","87.802","0.009","71.462","0.008","86.14","0.01","968.3","0.3","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 O7 S -","- C22 H20 O7 S -","- C44 H40 O14 S2 -","2","1","","Dang, Anh-Thu; Miller, David O.; Dawe, Louise N.; Bodwell, Graham J.","Electron-deficient dienes. 5. An inverse-electron-demand Diels-Alder approach to 2-substituted 4-methoxyxanthones and 3,4-dimethoxyxanthones.","Organic letters","2008","10","2","233","236","10.1021/ol702614b","","","0.7107","MoKα","","0.0555","0.0505","","","0.1157","0.1192","","","","","","1.107","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504492","9.2389","0.0008","10.048","0.0009","10.7755","0.0009","110.302","0.002","97.268","0.002","106.443","0.002","871.27","0.13","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C38 H48 O10 -","2","1","","Chen, Nan; Carrière, Marjolaine B; Laufer, Radoslaw S.; Taylor, Nicholas J.; Dmitrienko, Gary I.","A biogenetically-inspired synthesis of a ring-D model of kinamycin F: insights into the conformation of ring D.","Organic letters","2008","10","3","381","384","10.1021/ol702650u","","","0.71073","MoKα","","0.049","0.0426","","","0.0963","0.0986","","","","","","1.164","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504493","9.4513","0.0007","10.0331","0.0008","24.638","0.002","90","","90","","90","","2336.3","0.3","299","2","299","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 N3 O S -","- C27 H29 N3 O S -","- C108 H116 N12 O4 S4 -","4","1","","Boratyński, Przemysław J; Turowska-Tyrk, Ilona; Skarzewski, Jacek","Stereoselective C9 arylation and vinylation of Cinchona alkaloids.","Organic letters","2008","10","3","385","388","10.1021/ol7026625","","","0.71073","MoKα","","0.0634","0.0496","","","0.1395","0.1529","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504494","16.718","0.0007","15.2165","0.0007","21.5287","0.0009","90","","105.615","0.002","90","","5274.5","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C66 H70 O4 -","- C66 H70 O4 -","- C264 H280 O16 -","4","1","","Emond, Susanna J.; Debroy, Paromita; Rathore, Rajendra","Duplexiphane: a polyaromatic receptor containing two adjoined Delta-shaped cavities for an efficient hopping of a single silver cation.","Organic letters","2008","10","3","389","392","10.1021/ol7026762","","","1.54178","CuKα","","0.0495","0.0461","","","0.1192","0.1218","","","","","","1.043","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504495","10.852","0.004","11.568","0.004","12.042","0.004","102.747","0.005","112.214","0.005","90.649","0.005","1357.5","0.8","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C67 H72 Cl2 -","- C67 H72 Cl2 -","- C67 H72 Cl2 -","1","0.5","","Emond, Susanna J.; Debroy, Paromita; Rathore, Rajendra","Duplexiphane: a polyaromatic receptor containing two adjoined Delta-shaped cavities for an efficient hopping of a single silver cation.","Organic letters","2008","10","3","389","392","10.1021/ol7026762","","","0.71073","MoKα","","0.1199","0.0575","","","0.1381","0.1561","","","","","","0.912","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504496","9.1583","0.0005","16.1744","0.0009","34.3536","0.0018","94.131","0.001","90.888","0.001","103.369","0.001","4935.3","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H104 N21 Na O47 Pd2 -","- C82 H104 N21 Na O47 Pd2 -","- C164 H208 N42 Na2 O94 Pd4 -","2","1","","Blanco, Víctor; Chas, Marcos; Abella, Dolores; Pía, Elena; Platas-Iglesias, Carlos; Peinador, Carlos; Quintela, José M","Self-assembly of 1:2 inclusion complexes between a metallocycle host and dihydroxyaromatic guests: a redox controlled complexation process.","Organic letters","2008","10","3","409","412","10.1021/ol702701t","","","0.71073","MoKα","","0.14","0.0658","","","0.1348","0.1639","","","","","","1.008","","","","has coordinates","282761","2023-04-20","06:45:55",""
"1504497","32.6438","0.0013","10.0301","0.0004","29.2548","0.0012","90","","106.329","0.001","90","","9192.3","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H98 N20 O50 Pd2 -","- C76 H98 N20 O50 Pd2 -","- C304 H392 N80 O200 Pd8 -","4","0.5","","Blanco, Víctor; Chas, Marcos; Abella, Dolores; Pía, Elena; Platas-Iglesias, Carlos; Peinador, Carlos; Quintela, José M","Self-assembly of 1:2 inclusion complexes between a metallocycle host and dihydroxyaromatic guests: a redox controlled complexation process.","Organic letters","2008","10","3","409","412","10.1021/ol702701t","","","0.71073","MoKα","","0.1211","0.094","","","0.2433","0.2667","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504498","18.171","0.003","18.429","0.003","22.747","0.005","85.308","0.01","77.267","0.009","70.02","0.01","6983","2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C144 H148 Cl2 N16 O21 -","- C144 H148 Cl2 N16 O21 -","- C288 H296 Cl4 N32 O42 -","2","1","","Hu, Hai-Yu; Xiang, Jun-Feng; Yang, Yong; Chen, Chuan-Feng","A helix-turn-helix supersecondary structure based on oligo(phenanthroline dicarboxamide)s.","Organic letters","2008","10","1","69","72","10.1021/ol702720q","","","0.7107","MoKα","","0.1393","0.117","","","0.3476","0.3774","","","","","","1.462","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504499","8.446","0.005","9.144","0.005","11.754","0.007","69.99","0.02","85.26","0.02","75.04","0.02","824","0.8","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C36 H42 N2 O8 -","2","1","","Chiba, Shunsuke; Wang, Yi-Feng; Lapointe, Guillaume; Narasaka, Koichi","Synthesis of polysubstituted N-H pyrroles from vinyl azides and 1,3-dicarbonyl compounds.","Organic letters","2008","10","2","313","316","10.1021/ol702727j","","","0.7107","MoKα","","0.0511","0.0383","","","0.0987","0.1064","","","","","","0.995","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504500","11.3234","0.0016","14.786","0.002","10.2105","0.0015","90","","93.313","0.004","90","","1706.7","0.4","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 N2 -","- C19 H24 N2 -","- C76 H96 N8 -","4","1","","Wang, Junfeng; Xu, Fan; Cai, Tao; Shen, Qi","Addition of amines to nitriles catalyzed by ytterbium amides: an efficient one-step synthesis of monosubstituted N-arylamidines.","Organic letters","2008","10","3","445","448","10.1021/ol702739c","","","0.7107","MoKα","","0.0822","0.0713","","","0.1784","0.1852","","","","","","1.148","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504501","7.8071","0.001","8.0417","0.001","14.2852","0.0018","90","","90","","90","","896.9","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H8 Br N O -","- C10 H8 Br N O -","- C40 H32 Br4 N4 O4 -","4","1","","Foltz, Carole; Bellemin-Laponnaz, Stéphane; Enders, Markus; Wadepohl, Hubert; Gade, Lutz H.","Thermal rearrangement of 2-bromooxazolines to 2-bromoisocyanates.","Organic letters","2008","10","2","305","308","10.1021/ol7027509","","x-ray","0.71073","MoKα","","0.0408","0.0314","","","0.0681","0.0711","","","","","","1.015","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504502","5.1912","0.0007","11.6401","0.0015","21.277","0.003","90","","90","","90","","1285.7","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 N2 O -","- C14 H20 N2 O -","- C56 H80 N8 O4 -","4","1","","Foltz, Carole; Bellemin-Laponnaz, Stéphane; Enders, Markus; Wadepohl, Hubert; Gade, Lutz H.","Thermal rearrangement of 2-bromooxazolines to 2-bromoisocyanates.","Organic letters","2008","10","2","305","308","10.1021/ol7027509","","x-ray","0.71073","MoKα","","0.0615","0.0429","","","0.0961","0.1048","","","","","","1.088","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504503","9.0694","0.0005","11.7804","0.0006","19.4812","0.0011","90","","90","","90","","2081.4","0.2","","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","compound_5","","","- C24 H18 Br2 N2 -","- C24 H18 Br2 N2 -","- C96 H72 Br8 N8 -","4","1","","Jen, Wendy S.; Truppo, Matthew D.; Amos, Deborah; Devine, Paul; McNevin, Michael; Biba, Mirlinda; Campos, Kevin R.","Copper-catalyzed synthesis of enantioenriched tetraarylethanes.","Organic letters","2008","10","5","741","744","10.1021/ol7027543","","","","MoKα","","","0.02","","","","0.0512","","","","","","1.102","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504504","8.7335","0.0006","9.1351","0.0006","13.4992","0.0009","90","","90","","90","","1076.99","0.13","","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","compound_12","","","- C12 H10 Br N O -","- C12 H10 Br N O -","- C48 H40 Br4 N4 O4 -","4","1","","Jen, Wendy S.; Truppo, Matthew D.; Amos, Deborah; Devine, Paul; McNevin, Michael; Biba, Mirlinda; Campos, Kevin R.","Copper-catalyzed synthesis of enantioenriched tetraarylethanes.","Organic letters","2008","10","5","741","744","10.1021/ol7027543","","","","MoKα","","","0.0235","","","","0.0552","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504505","11.9801","0.0015","12.2674","0.0015","12.5151","0.0015","88.469","0.006","88.44","0.006","62.6","0.004","1632.1","0.4","143","1","143","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H24 B2 O4 -","- C14 H24 B2 O4 -","- C56 H96 B8 O16 -","4","2","","Kang, Youn K.; Deria, Pravas; Carroll, Patrick J.; Therien, Michael J.","Synthesis of water-soluble poly(p-phenyleneethynylene) in neat water under aerobic conditions via Suzuki-Miyaura polycondensation using a diborylethyne synthon.","Organic letters","2008","10","7","1341","1344","10.1021/ol702758f","","","0.71069","MoKα","","0.0763","0.0717","","0.2204","0.2139","","","","1.19","1.197","1.197","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504506","8.053","0.0016","13.987","0.003","9.301","0.0019","90","","95.53","0.03","90","","1042.8","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 Cl N O3 -","- C22 H24 Cl N O3 -","- C44 H48 Cl2 N2 O6 -","2","1","","Zhang, Yan-Rong; He, Lin; Wu, Xu; Shao, Pan-Lin; Ye, Song","Chiral N-heterocyclic carbene catalyzed staudinger reaction of ketenes with imines: highly enantioselective synthesis of N-Boc beta-lactams.","Organic letters","2008","10","2","277","280","10.1021/ol702759b","","","0.71069","MoKα","","0.047","0.0411","","","0.108","0.1116","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504507","13.5511","0.0019","14.798","0.002","14.896","0.003","106.893","0.006","108.34","0.007","101.25","0.005","2574.5","0.8","93.1","","","","","","","","","","","2","P -1","-P 1","2","","","","- C78 H62 -","- C75 H48 -","- C150 H96 -","2","1","","Ishikawa, Takeharu; Shimasaki, Toshiaki; Akashi, Haruo; Toyota, Shinji","Enantiopure anthrylene-ethynylene cyclic tetramer and racemization via rotation of anthracene unit about acetylenic axes.","Organic letters","2008","10","3","417","420","10.1021/ol702783v","","","0.71075","MoKα","","","0.0838","","","","0.2444","","","","","","1.254","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504508","12.433","0.003","18.544","0.004","14.831","0.003","90","","111.72","0.03","90","","3176.6","1.4","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 Cl F N4 O4 -","- C34 H38 Cl F N4 O4 -","- C136 H152 Cl4 F4 N16 O16 -","4","1","","Deiseroth, Hans-Jörg; Granzhan, Anton; Ihmels, Heiko; Schlosser, Marc; Tian, Maoqun","Synthesis of 6-amino-3,4-dihydroisoquinolinium derivatives by ring-opening reactions of acridizinium ions.","Organic letters","2008","10","5","757","760","10.1021/ol702792r","","","0.71073","MoKα","","0.1711","0.0704","","","0.1656","0.2048","","","","","","0.849","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504509","10.948","0.0014","13.435","0.0018","18.893","0.003","90","","103.357","0.015","90","","2703.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H34 N O2 P -","- C31 H34 N O2 P -","- C124 H136 N4 O8 P4 -","4","1","","Burgos, Pascual Oña; Fernández, Ignacio; Iglesias, María José; García-Granda, Santiago; Ortiz, Fernando López","Phosphinamide-directed benzylic lithiation. Application to the synthesis of peptide building blocks.","Organic letters","2008","10","4","537","540","10.1021/ol7028096","","","0.71073","MoKα","","0.207","0.0605","","","0.1441","0.1957","","","","","","0.804","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504510","18.6667","0.0001","8.2209","0.0001","18.7079","0.0001","90","","104.9","0.0006","90","","2774.33","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H36 N O2 P -","- C32 H36 N O2 P -","- C128 H144 N4 O8 P4 -","4","2","","Burgos, Pascual Oña; Fernández, Ignacio; Iglesias, María José; García-Granda, Santiago; Ortiz, Fernando López","Phosphinamide-directed benzylic lithiation. Application to the synthesis of peptide building blocks.","Organic letters","2008","10","4","537","540","10.1021/ol7028096","","","1.5418","CuKα","","0.0355","0.0309","","","0.078","0.0836","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504511","12.316","0.005","12.554","0.005","17.588","0.007","98.282","0.005","94.186","0.005","97.013","0.005","2659.5","1.8","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N5 O9 -","- C26 H28 N5 O9 -","- C104 H112 N20 O36 -","4","2","","Shiao, Hui-Yi; Hsieh, Hsing-Pang; Liao, Chun-Chen","First total syntheses of (±)-annuionone B and (±)-tanarifuranonol","Organic Letters","2008","10","3","449","452","10.1021/ol7028178","","","0.71073","MoKα","","0.2462","0.1052","","","0.258","0.3074","","","","","","0.946","","","","has coordinates","218687","2020-10-21","18:00:00",""
"1504512","6.2765","0.0008","12.3831","0.0016","19.332","0.002","90","","90","","90","","1502.5","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","07130a","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C76 H68 N4 O12 -","4","1","","Lu, Ting; Song, Zhenlei; Hsung, Richard P.","A mutually pi-facial selective cyclopropanation of chiral enamides using dirhodium(II) carbenoids.","Organic letters","2008","10","4","541","544","10.1021/ol702824s","","","0.71073","MoKα","","0.0491","0.0375","","","0.0869","0.0912","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504513","6.0884","0.0005","16.1018","0.0013","21.8321","0.0018","90","","90","","90","","2140.3","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","07226a","","","- C22 H31 N O4 -","- C22 H31 N O4 -","- C88 H124 N4 O16 -","4","1","","Lu, Ting; Song, Zhenlei; Hsung, Richard P.","A mutually pi-facial selective cyclopropanation of chiral enamides using dirhodium(II) carbenoids.","Organic letters","2008","10","4","541","544","10.1021/ol702824s","","","0.71073","MoKα","","0.0422","0.0362","","","0.0979","0.1023","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504514","13.959","0.005","14.301","0.005","18.276","0.005","95.686","0.005","99.037","0.005","91.849","0.005","3581","2","90","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C148 H164 Cl18 N14 Zn2 -","- C148 H164 Cl18 N14 Zn2 -","- C148 H164 Cl18 N14 Zn2 -","1","0.5","","Maeda, Chihiro; Yamaguchi, Shigeru; Ikeda, Chusaku; Shinokubo, Hiroshi; Osuka, Atsuhiro","Dimeric assemblies from 1,2,3-triazole-appended Zn(II) porphyrins with control of NH-tautomerism in 1,2,3-triazole.","Organic letters","2008","10","4","549","552","10.1021/ol7028299","","","0.71069","MoKα","","0.1167","0.0991","","","0.2332","0.2463","","","","","","1.117","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504515","13.1202","0.0013","16.6253","0.0016","17.5706","0.0017","78.601","0.002","81.694","0.002","89.735","0.002","3716.5","0.6","90","2","90","2","","","","","","","","4","P 1","P 1","1","","","","- C168 H191 N22 Zn2 -","- C168 H191 N22 Zn2 -","- C168 H191 N22 Zn2 -","1","1","","Maeda, Chihiro; Yamaguchi, Shigeru; Ikeda, Chusaku; Shinokubo, Hiroshi; Osuka, Atsuhiro","Dimeric assemblies from 1,2,3-triazole-appended Zn(II) porphyrins with control of NH-tautomerism in 1,2,3-triazole.","Organic letters","2008","10","4","549","552","10.1021/ol7028299","","","0.71073","MoKα","","0.0807","0.0575","","","0.158","0.1792","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504516","17.527","0.005","19.313","0.005","19.41","0.005","80.678","0.005","70.485","0.005","70.749","0.005","5837","3","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C122 H122 Cl12 N16 O4 Zn2 -","- C122 H122 Cl12 N16 O4 Zn2 -","- C244 H244 Cl24 N32 O8 Zn4 -","2","1","","Maeda, Chihiro; Yamaguchi, Shigeru; Ikeda, Chusaku; Shinokubo, Hiroshi; Osuka, Atsuhiro","Dimeric assemblies from 1,2,3-triazole-appended Zn(II) porphyrins with control of NH-tautomerism in 1,2,3-triazole.","Organic letters","2008","10","4","549","552","10.1021/ol7028299","","","0.71069","MoKα","","0.1295","0.0929","","","0.2828","0.3159","","","","","","1.166","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504517","10.468","0.001","10.849","0.001","29.562","0.003","90","","95.784","0.002","90","","3340.2","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H44 N2 O5 -","- C42 H44 N2 O5 -","- C168 H176 N8 O20 -","4","1","","Imai, Yoshitane; Kawaguchi, Kakuhiro; Murata, Katuzo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Tuning mechanism in a two-component columnar host system composed of 1,2-diphenylethylenediamine and 1,1'-binaphthyl-2,2'-dicarboxylic acid.","Organic letters","2008","10","3","469","471","10.1021/ol7028433","","","0.71073","MoKα","","0.1319","0.0831","","","0.1592","0.1808","","","","","","1.165","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504518","10.204","0.001","10.835","0.001","27.774","0.003","90","","90","","90","","3070.7","0.5","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H36 N2 O5 -","- C38 H36 N2 O5 -","- C152 H144 N8 O20 -","4","1","","Imai, Yoshitane; Kawaguchi, Kakuhiro; Murata, Katuzo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Tuning mechanism in a two-component columnar host system composed of 1,2-diphenylethylenediamine and 1,1'-binaphthyl-2,2'-dicarboxylic acid.","Organic letters","2008","10","3","469","471","10.1021/ol7028433","","","0.71073","MoKα","","0.1169","0.0671","","","0.1287","0.1547","","","","","","1.03","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504519","10.1636","0.0002","12.53","0.0002","26.5187","0.0005","90","","98.639","0.001","90","","3338.84","0.11","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H46 B Cl N3 P -","- C35 H46 B Cl N3 P -","- C140 H184 B4 Cl4 N12 P4 -","4","2","","Busacca, Carl A.; Lorenz, Jon C.; Grinberg, Nelu; Haddad, Nizar; Lee, Heewon; Li, Zhibin; Liang, Mary; Reeves, Diana; Saha, Anjan; Varsolona, Rich; Senanayake, Chris H.","Asymmetric hydrogenation of unsaturated ureas with the BIPI ligands.","Organic letters","2008","10","2","341","344","10.1021/ol7028542","","","1.54187","CuKα","","0.0313","0.0304","","","0.082","0.0824","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504520","14.6155","0.0012","22.549","0.002","14.7003","0.0012","90","","100.407","0.004","90","","4765","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H37 Cl9 N4 O10 -","- C42.999 H36.999 Cl8.997 N4 O10 -","- C171.996 H147.996 Cl35.988 N16 O40 -","4","1","","Van Rossom, Wim; Maes, Wouter; Kishore, Lingam; Ovaere, Margriet; Van Meervelt, Luc; Dehaen, Wim","Efficient post-macrocyclization functionalizations of oxacalix[2]arene[2]pyrimidines.","Organic letters","2008","10","4","585","588","10.1021/ol702864y","","","1.54178","CuKα","","0.1265","0.0751","","","0.1895","0.2216","","","","","","1.075","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504521","13.092","0.0005","14.424","0.0014","27.58","0.002","90","","90","","90","","5208.2","0.7","153","2","153","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","FeC60CH2COOEt5Cp","","- C85 H40 Fe O10 -","- C85 H40 Fe O10 -","- C340 H160 Fe4 O40 -","4","1","","Nakae, Takahiro; Matsuo, Yutaka; Nakamura, Eiichi","Synthesis of C5-symmetric functionalized [60]fullerenes by copper-mediated 5-fold addition of Reformatsky reagents.","Organic letters","2008","10","4","621","623","10.1021/ol702874w","","x-ray","0.71073","MoKα","","0.0985","0.0856","","","0.2101","0.2325","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504522","16.311","0.001","10.6441","0.0009","13.029","0.001","90","","103.443","0.007","90","","2200.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H35 N O Si -","- C21 H35 N O Si -","- C84 H140 N4 O4 Si4 -","4","1","","Concellón, José M; Rodríguez-Solla, Humberto; Méjica, Carmen; Blanco, Elena G.; García-Granda, Santiago; Díaz, M Rosario","Stereospecific and stereoselective alkyl and silylcyclopropanation of alpha,beta-unsaturated amides.","Organic letters","2008","10","2","349","352","10.1021/ol702876r","","","1.5418","CuKα","","0.097","0.054","","","0.1476","0.1785","","","","","","0.967","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504523","8.4058","0.0002","10.1945","0.0004","12.1967","0.0004","90","","106.558","0.002","90","","1001.83","0.06","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","BMC-J-40","BMC-J-40","","- C21 H26 N2 O4 S -","- C21 H26 N2 O4 S -","- C42 H52 N4 O8 S2 -","2","1","","Cochran, Brian M.; Michael, Forrest E.","Synthesis of 2,6-disubstituted piperazines by a diastereoselective palladium-catalyzed hydroamination reaction.","Organic letters","2008","10","2","329","332","10.1021/ol702891p","","","0.71073","MoKα","","0.0645","0.0441","","","0.1099","0.1181","","","","","","1.016","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504524","6.3174","0.0007","23.129","0.003","24.546","0.003","90","","90","","90","","3586.5","0.8","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5,15-bis(dibromomethylene)cyclopentadeca-1,3-diyne","","- C17 H18 Br4 -","- C17 H18 Br4 -","- C136 H144 Br32 -","8","1","","Spantulescu, Andreea; Luu, Thanh; Zhao, Yuming; McDonald, Robert; Tykwinski, Rik R.","Synthesis and characterization of cyclic alkyl tetraynes.","Organic letters","2008","10","4","609","612","10.1021/ol702898a","","","0.71073","MoKα","","0.0739","0.0393","","","0.0743","0.0856","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504525","17.924","0.004","8.0399","0.0016","21.091","0.004","90","","103.35","0.004","90","","2957.2","1","123","2","123","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C41 H30 N3 P -","- C41 H30 N3 P -","- C164 H120 N12 P4 -","4","1","","Matano, Yoshihiro; Nakashima, Makoto; Nakabuchi, Takashi; Imahori, Hiroshi; Fujishige, Shinya; Nakano, Haruyuki","Monophosphaporphyrins: oxidative pi-extension at the peripherally fused carbocycle of the phosphaporphyrin ring.","Organic letters","2008","10","4","553","556","10.1021/ol7029118","","","0.7107","MoKα","","0.1019","0.0781","","","0.1276","0.1399","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504526","8.6044","0.0016","15.398","0.003","13.408","0.003","90","","106.679","0.006","90","","1701.7","0.6","123","2","123","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C42 H30 Cl2 N3 O P -","- C42 H30 Cl2 N3 O P -","- C84 H60 Cl4 N6 O2 P2 -","2","0.5","","Matano, Yoshihiro; Nakashima, Makoto; Nakabuchi, Takashi; Imahori, Hiroshi; Fujishige, Shinya; Nakano, Haruyuki","Monophosphaporphyrins: oxidative pi-extension at the peripherally fused carbocycle of the phosphaporphyrin ring.","Organic letters","2008","10","4","553","556","10.1021/ol7029118","","","0.71069","MoKα","","0.173","0.0728","","","0.1314","0.173","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504527","5.5191","0.0002","10.5983","0.0004","45.4937","0.0017","90","","90","","90","","2661.07","0.17","150","2","150","2","","","","","","","Pedro Cintas","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 N2 O7 S2 -","- C27 H26 N2 O7 S2 -","- C108 H104 N8 O28 S8 -","4","1","","Cantillo, David; Avalos, Martín; Babiano, Reyes; Cintas, Pedro; Jiménez, José L; Light, Mark E.; Palacios, Juan C.","Stepwise cycloadditions of mesoionic systems: thionation of thioisomünchnones by isothiocyanates.","Organic letters","2008","10","6","1079","1082","10.1021/ol702929k","","","0.71073","MoKα","","0.1154","0.0493","","","0.0763","0.0898","","","","","","0.916","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504528","19.1489","0.0017","22.7405","0.0019","7.644","0.0005","90","","90","","90","","3328.6","0.5","120","2","120","2","","","","","","","Pedro Cintas","4","P 21 21 2","P 2 2ab","18","","","","- C34 H31 N3 O9 -","- C34 H31 N3 O9 -","- C136 H124 N12 O36 -","4","1","","Cantillo, David; Avalos, Martín; Babiano, Reyes; Cintas, Pedro; Jiménez, José L; Light, Mark E.; Palacios, Juan C.","Stepwise cycloadditions of mesoionic systems: thionation of thioisomünchnones by isothiocyanates.","Organic letters","2008","10","6","1079","1082","10.1021/ol702929k","","","0.71073","MoKα","","0.1431","0.0748","","","0.1608","0.1878","","","","","","1.021","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504529","15.739","0.002","17.218","0.002","22.561","0.003","90","","90","","90","","6113.9","1.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C57 H83 N9 O11 S2 -","- C57 H83 N9 O11 S2 -","- C228 H332 N36 O44 S8 -","4","1","","Kwan, Jason C.; Rocca, James R.; Abboud, Khalil A.; Paul, Valerie J.; Luesch, Hendrik","Total structure determination of grassypeptolide, a new marine cyanobacterial cytotoxin.","Organic letters","2008","10","5","789","792","10.1021/ol702946d","","","0.71073","MoKα","","0.1283","0.0743","","","0.1581","0.182","","","","","","0.992","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504530","8.6266","0.0011","14.8226","0.0019","17.985","0.002","90","","90","","90","","2299.7","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H11 Br Cl4 N2 O4 -","- C22 H11 Br Cl4 N2 O4 -","- C88 H44 Br4 Cl16 N8 O16 -","4","1","","Hughes, Chambers C.; Prieto-Davo, Alejandra; Jensen, Paul R.; Fenical, William","The marinopyrroles, antibiotics of an unprecedented structure class from a marine Streptomyces sp.","Organic letters","2008","10","4","629","631","10.1021/ol702952n","","","0.71073","MoKα","","0.0567","0.0507","","","0.1236","0.1276","","","","","","1","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504531","11.422","0.005","11.628","0.002","22.718","0.005","90","","90","","90","","3017.3","1.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H41 N O8 S -","- C27 H41 N O8 S -","- C108 H164 N4 O32 S4 -","4","1","","Hjelmgaard, Thomas; Faure, Sophie; Lemoine, Pascale; Viossat, Bernard; Aitken, David J.","Rapid assembly of the polyhydroxylated beta-amino acid constituents of microsclerodermins C, D, and E.","Organic letters","2008","10","5","841","844","10.1021/ol702962z","","","0.71073","MoKα","","0.1707","0.0402","","","0.0861","0.1122","","","","","","0.909","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504532","6.186","0.001","9.556","0.001","13.169","0.002","91.968","0.005","99.625","0.007","106.425","0.007","733.44","0.18","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H41 N O8 S -","- C27 H41 N O8 S -","- C27 H41 N O8 S -","1","1","","Hjelmgaard, Thomas; Faure, Sophie; Lemoine, Pascale; Viossat, Bernard; Aitken, David J.","Rapid assembly of the polyhydroxylated beta-amino acid constituents of microsclerodermins C, D, and E.","Organic letters","2008","10","5","841","844","10.1021/ol702962z","","","0.71073","MoKα","","0.0889","0.0522","","","0.1092","0.127","","","","","","1.006","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504533","9.0319","0.0003","9.1542","0.0003","12.978","0.0004","95.357","0.002","107.539","0.002","95.523","0.002","1009.89","0.06","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H19 B F2 N2 O3 -","- C26 H19 B F2 N2 O3 -","- C52 H38 B2 F4 N4 O6 -","2","1","","Zhou, Ying; Xiao, Yi; Chi, Shaoming; Qian, Xuhong","Isomeric boron-fluorine complexes with donor-acceptor architecture: strong solid/liquid fluorescence and large Stokes shift.","Organic letters","2008","10","4","633","636","10.1021/ol702963w","","","0.71073","MoKα","","0.1225","0.0549","","","0.1239","0.1539","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504534","9.8979","0.0003","9.9996","0.0003","11.7461","0.0003","70.866","0.002","86.697","0.002","68.381","0.002","1018.44","0.05","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H19 B F2 N2 O3 -","- C26 H19 B F2 N2 O3 -","- C52 H38 B2 F4 N4 O6 -","2","1","","Zhou, Ying; Xiao, Yi; Chi, Shaoming; Qian, Xuhong","Isomeric boron-fluorine complexes with donor-acceptor architecture: strong solid/liquid fluorescence and large Stokes shift.","Organic letters","2008","10","4","633","636","10.1021/ol702963w","","","0.71073","MoKα","","0.0593","0.0411","","","0.1186","0.1288","","","","","","0.981","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504535","15.6617","0.0005","14.8817","0.0005","17.7747","0.0006","90","","91.2299","0.001","90","","4141.8","0.2","200.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H6 F2 O2 S3 -","- C15 H6 F2 O2 S3 -","- C180 H72 F24 O24 S36 -","12","3","","Ie, Yutaka; Umemoto, Yoshikazu; Okabe, Makoto; Kusunoki, Takahiro; Nakayama, Ken-ichi; Pu, Yong-Jin; Kido, Junji; Tada, Hirokazu; Aso, Yoshio","Electronegative oligothiophenes based on difluorodioxocyclopentene-annelated thiophenes: synthesis, properties, and n-type FET performances.","Organic letters","2008","10","5","833","836","10.1021/ol7029678","","","0.71075","MoKα","","","0.0678","","","","0.1456","","","","","","2.523","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504536","29.607","0.002","13.304","0.001","17.539","0.0012","90","","113.503","0.003","90","","6335.3","0.8","296.1","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H2 F6 O6 S3 -","- C21 H2 F6 O6 S3 -","- C252 H24 F72 O72 S36 -","12","1.5","","Ie, Yutaka; Umemoto, Yoshikazu; Okabe, Makoto; Kusunoki, Takahiro; Nakayama, Ken-ichi; Pu, Yong-Jin; Kido, Junji; Tada, Hirokazu; Aso, Yoshio","Electronegative oligothiophenes based on difluorodioxocyclopentene-annelated thiophenes: synthesis, properties, and n-type FET performances.","Organic letters","2008","10","5","833","836","10.1021/ol7029678","","","1.54187","CuKα","","","0.0795","","","","0.1713","","","","","","3.953","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504537","14.317","","14.494","","15.344","","87.74","","69.23","","74.18","","2858.55","","","","","","","","","","","","","5","P -1","-P 1","2","Se-Calix[5]phyrin","","","- C67 H49 F15 N4 Se -","- C67 H48.2 F15 N4 Se -","- C134 H96.4 F30 N8 Se2 -","2","1","","Gokulnath, Sabapathi; Chandrashekar, Tavarekere K.","One-pot synthesis of core-modified meso-aryl calix[5]phyrin and N-fused [24]pentaphyrin.","Organic letters","2008","10","4","637","640","10.1021/ol7029728","","","","","","0.128","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1504538","8.854","0.0002","10.1088","0.0003","11.9207","0.0003","105.763","0.002","90.439","0.002","95.36","0.002","1021.72","0.05","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C22 H28 N4 -","- C22 H28 N4 -","- C44 H56 N8 -","2","2","","Zhao, Baoguo; Du, Haifeng; Shi, Yian","Cu(I)-catalyzed cycloguanidination of olefins.","Organic letters","2008","10","6","1087","1090","10.1021/ol702974s","","","0.71073","MoKα","","0.1671","0.0542","","","0.0887","0.1195","","","","","","0.933","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504539","12.3084","0.0005","14.3555","0.0005","32.5615","0.0012","82.777","0.002","83.552","0.002","69.233","0.002","5322.7","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C55.91 H50.58 I2 N2 O2.97 P2 Pd2 -","- C53 H44.764 I2 N2 O2 P2 Pd2 -","- C212 H179.056 I8 N8 O8 P8 Pd8 -","4","2","","Salcedo, Angela; Neuville, Luc; Rondot, Christophe; Retailleau, Pascal; Zhu, Jieping","Palladium-catalyzed domino intramolecular N-arylation/intermolecular C-C bond formation for the synthesis of functionalized benzodiazepinediones.","Organic letters","2008","10","5","857","860","10.1021/ol7029799","","x-ray","0.71073","MoKα","","0.0872","0.0517","","","0.1215","0.1362","","","","","","1.087","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504540","4.8545","0.0006","14.9915","0.0016","22.48","0.003","90","","90","","90","","1636","0.3","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O3 S2 -","- C17 H15 N O3 S2 -","- C68 H60 N4 O12 S8 -","4","1","","Osorio-Lozada, Antonio; Olivo, Horacio F.","Indene-based thiazolidinethione chiral auxiliary for propionate and acetate aldol additions.","Organic letters","2008","10","4","617","620","10.1021/ol702980p","","","0.71073","MoKα","","0.0792","0.0478","","","0.0868","0.0984","","","","","","1.167","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1504541","4.7392","0.0006","11.8411","0.0013","29.781","0.004","90","","90","","90","","1671.2","0.4","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O3 S2 -","- C16 H21 N O3 S2 -","- C64 H84 N4 O12 S8 -","4","1","","Osorio-Lozada, Antonio; Olivo, Horacio F.","Indene-based thiazolidinethione chiral auxiliary for propionate and acetate aldol additions.","Organic letters","2008","10","4","617","620","10.1021/ol702980p","","","0.71073","MoKα","","0.076","0.0569","","","0.1113","0.1191","","","","","","1.103","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504542","8.674","0.002","10.289","0.003","29.529","0.008","90","","90","","90","","2635.4","1.2","123.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H38 O12 -","- C27 H36 O12 -","- C108 H144 O48 -","4","1","","Iida, Motoo; Ooi, Takashi; Kito, Keijiro; Yoshida, Sanae; Kanoh, Kaneo; Shizuri, Yoshikazu; Kusumi, Takenori","Three new polyketide-terpenoid hybrids from Penicillium sp.","Organic letters","2008","10","5","845","848","10.1021/ol7029867","","","0.7107","MoKα","","","0.047","","","","0.129","","","","","","1.004","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504543","8.1224","0.0002","11.7357","0.0003","14.3728","0.0003","90","","99.554","0.001","90","","1351.04","0.06","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C32 H33 N3 O3 -","- C32 H33 N3 O3 -","- C64 H66 N6 O6 -","2","1","","Fridkin, Gil; Lubell, William D.","2-vinylpyrroles and pyrrolo[3,2-d]pyrimidines from direct addition of aldehydes to 4-amino-pyrrole-2-carboxylate derivatives.","Organic letters","2008","10","5","849","852","10.1021/ol702994g","","","1.54178","CuKα","","0.0401","0.0313","","","0.0631","0.065","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504544","9.6567","0.0019","10.19","0.002","17.949","0.004","90","","92.18","0.03","90","","1764.9","0.6","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O -","- C22 H17 N O -","- C88 H68 N4 O4 -","4","1","","Cheng, Yi-nan; Duan, Zheng; Yu, Liujian; Li, Zhongxian; Zhu, Yu; Wu, Yangjie","Palladium-catalyzed three-component arylcyanation of internal alkynes with aryl bromides and K4[Fe(CN)6].","Organic letters","2008","10","5","901","904","10.1021/ol703018t","","","0.71073","MoKα","","0.0844","0.0606","","","0.1392","0.1518","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504545","6.339","0.0013","13.53","0.003","36.211","0.007","90","","90","","90","","3105.7","1.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H48 O6 Si -","- C33 H48 O6 Si -","- C132 H192 O24 Si4 -","4","1","","Li, Jialiang; Todaro, Louis J.; Mootoo, David R.","Synthesis of the AB subunit of angelmicin B through a tandem alkoxy radical fragmentation-etherification sequence.","Organic letters","2008","10","7","1337","1340","10.1021/ol703036y","","","0.71073","MoKα","","0.0897","0.0578","","","0.1037","0.1155","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504546","14.7182","0.0009","17.4492","0.001","19.7488","0.0013","75.644","0.009","74.358","0.008","65.77","0.006","4399","0.5","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C97 H109 Cl3 S8 -","- C97 H109 Cl3 S8 -","- C194 H218 Cl6 S16 -","2","1","","Chen, Guang; Wang, Li; Thompson, David W.; Zhao, Yuming","Highly pi-extended TTF analogues with a conjugated macrocyclic enyne core.","Organic letters","2008","10","4","657","660","10.1021/ol703038m","","","0.7107","MoKα","","0.1345","0.1061","","","0.2256","0.2463","","","","","","1.151","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504547","10.57","0.003","12.885","0.003","16.682","0.004","66.858","0.01","76.524","0.015","84.62","0.017","2031.7","0.9","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H10 F32 N2 O4 -","- C40 H10 F32 N2 O4 -","- C80 H20 F64 N4 O8 -","2","1","","Li, Yan; Tan, Lin; Wang, Zhaohui; Qian, Hualei; Shi, Yubai; Hu, Wenping","Air-stable n-type semiconductor: core-perfluoroalkylated perylene bisimides.","Organic letters","2008","10","4","529","532","10.1021/ol703046w","","","0.7107","MoKα","","0.0917","0.0548","","","0.1238","0.1443","","","","","","1.015","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504548","10.4454","0.001","10.6947","0.0012","16.8558","0.0016","85.73","0.008","76.611","0.007","85.383","0.009","1822.8","0.3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H24 F18 N2 O4 -","- C40 H24 F18 N2 O4 -","- C80 H48 F36 N4 O8 -","2","1","","Li, Yan; Tan, Lin; Wang, Zhaohui; Qian, Hualei; Shi, Yubai; Hu, Wenping","Air-stable n-type semiconductor: core-perfluoroalkylated perylene bisimides.","Organic letters","2008","10","4","529","532","10.1021/ol703046w","","","0.7107","MoKα","","0.0775","0.0588","","","0.1186","0.1272","","","","","","1.132","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504549","14.45","0.03","8.41","0.03","17.47","0.04","90","","102.697","0.017","90","","2071","10","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cis-1","cis-P,P'-diphenyl-benzophospholo[3,2-b]benzophosphole-P,P'-dioxide","","- C26 H18 O2 P2 -","- C26 H18 O2 P2 -","- C104 H72 O8 P8 -","4","1","","Fukazawa, Aiko; Hara, Masanao; Okamoto, Toshihiro; Son, Eun-Cheol; Xu, Caihong; Tamao, Kohei; Yamaguchi, Shigehiro","Bis-phosphoryl-bridged stilbenes synthesized by an intramolecular cascade cyclization.","Organic letters","2008","10","5","913","916","10.1021/ol7030608","","","0.7107","MoKα","","0.0875","0.0698","","","0.148","0.1604","","","","","","1.135","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504550","8.295","0.017","15.32","0.02","8.85","0.019","90","","113.703","0.019","90","","1030","3","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","trans-1","trans-P,P'-diphenyl-benzophospholo[3,2-b]benzophosphole-P,P'-dioxide","","- C26 H18 O2 P2 -","- C26 H18 O2 P2 -","- C52 H36 O4 P4 -","2","0.5","","Fukazawa, Aiko; Hara, Masanao; Okamoto, Toshihiro; Son, Eun-Cheol; Xu, Caihong; Tamao, Kohei; Yamaguchi, Shigehiro","Bis-phosphoryl-bridged stilbenes synthesized by an intramolecular cascade cyclization.","Organic letters","2008","10","5","913","916","10.1021/ol7030608","","","0.7107","MoKα","","0.0406","0.033","","","0.0828","0.0871","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504551","12.337","0.003","12.337","0.003","8.6191","0.0018","90","","90","","90","","1311.8","0.5","100","2","293","2","","","","","","","synthesis as described","4","P -4 21 c","P -4 2n","114","","","","- C24 H28 N4 O4 -","- C24 H28 N4 O4 -","- C48 H56 N8 O8 -","2","0.25","","Roy, Olivier; Faure, Sophie; Thery, Vincent; Didierjean, Claude; Taillefumier, Claude","Cyclic beta-peptoids.","Organic letters","2008","10","5","921","924","10.1021/ol7030763","","x-ray","0.71073","MoKα","","0.0602","0.0445","","","0.1112","0.1154","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504552","9.419","0.002","12.174","0.003","13.334","0.003","90","","90","","90","","1529","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","07029","","","- C17 H17 N O5 -","- C17 H17 N O5 -","- C68 H68 N4 O20 -","4","1","","Al-Rashid, Ziyad F; Hsung, Richard P.","Reactive intermediates from DMDO oxidation of ynamides. Trapping of a de novo chiral push-pull carbene via cyclopropanation.","Organic letters","2008","10","4","661","663","10.1021/ol703083k","","","0.71073","MoKα","","0.0332","0.03","","","0.0699","0.0718","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504553","10.2183","0.0009","10.4772","0.0009","12.5802","0.0011","90","","90","","90","","1346.8","0.2","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","07221","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","1","","Al-Rashid, Ziyad F; Hsung, Richard P.","Reactive intermediates from DMDO oxidation of ynamides. Trapping of a de novo chiral push-pull carbene via cyclopropanation.","Organic letters","2008","10","4","661","663","10.1021/ol703083k","","","0.71073","MoKα","","0.0323","0.0296","","","0.0772","0.0799","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504554","8.8892","0.0012","9.3224","0.0013","16.548","0.002","75.822","0.004","83.017","0.004","73.858","0.003","1275","0.3","273.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 B Cl3 O5 -","- C27 H22 B Cl3 O5 -","- C54 H44 B2 Cl6 O10 -","2","1","","Yasuda, Makoto; Yoshioka, Sachiko; Nakajima, Hideto; Chiba, Kouji; Baba, Akio","Fine-tuning of boron complexes with cage-shaped ligand geometry: rational design of triphenolic ligand as a template for structure control.","Organic letters","2008","10","5","929","932","10.1021/ol7030944","","","0.71075","MoKα","","","0.0846","","","","0.1477","","","","","","1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504555","12.7774","0.0013","18.6212","0.0018","14.6414","0.0017","90","","109.02","0.003","90","","3293.4","0.6","273.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 B Cl6 O5 Si -","- C28 H25 B Cl6 O5 Si -","- C112 H100 B4 Cl24 O20 Si4 -","4","1","","Yasuda, Makoto; Yoshioka, Sachiko; Nakajima, Hideto; Chiba, Kouji; Baba, Akio","Fine-tuning of boron complexes with cage-shaped ligand geometry: rational design of triphenolic ligand as a template for structure control.","Organic letters","2008","10","5","929","932","10.1021/ol7030944","","","0.71075","MoKα","","","0.0867","","","","0.2471","","","","","","1.002","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504556","9.1921","","15.3839","0.0002","14.4803","0.0004","90","","98.4086","0.0015","90","","2025.65","0.06","273.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 B N O3 Si -","- C24 H20 B N O3 Si -","- C96 H80 B4 N4 O12 Si4 -","4","1","","Yasuda, Makoto; Yoshioka, Sachiko; Nakajima, Hideto; Chiba, Kouji; Baba, Akio","Fine-tuning of boron complexes with cage-shaped ligand geometry: rational design of triphenolic ligand as a template for structure control.","Organic letters","2008","10","5","929","932","10.1021/ol7030944","","","0.71069","MoKα","","","0.0803","","","","0.0906","","","","","","1.363","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504557","9.1369","0.0003","20.4629","0.0005","25.729","0.0006","90","","90","","90","","4810.5","0.2","296.1","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H26 B N O3 Si -","- C27 H26 B N O3 Si -","- C216 H208 B8 N8 O24 Si8 -","8","1","","Yasuda, Makoto; Yoshioka, Sachiko; Nakajima, Hideto; Chiba, Kouji; Baba, Akio","Fine-tuning of boron complexes with cage-shaped ligand geometry: rational design of triphenolic ligand as a template for structure control.","Organic letters","2008","10","5","929","932","10.1021/ol7030944","","","0.71075","MoKα","","","0.0462","","","","0.0553","","","","","","1.016","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504558","6.3471","0.0007","9.1849","0.0011","28.994","0.003","90","","90","","90","","1690.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 F3 N2 O4 -","- C16 H19 F3 N2 O4 -","- C64 H76 F12 N8 O16 -","4","1","","Abid, Mohammed; Teixeira, Liliana; Török, Béla","Triflic acid-catalyzed highly stereoselective friedel-crafts aminoalkylation of indoles and pyrroles.","Organic letters","2008","10","5","933","935","10.1021/ol703095d","","","0.71073","MoKα","","0.0804","0.054","","","0.1404","0.1567","","","","","","0.968","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504559","3.8979","0.0003","8.6911","0.0007","13.8933","0.0011","94.795","0.002","94.495","0.002","95.972","0.002","464.67","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H8 Cl N3 O -","- C9 H8 Cl N3 O -","- C18 H16 Cl2 N6 O2 -","2","1","","Sankaranarayanan, Jagadis; Bort, Lauren N.; Mandel, Sarah M.; Chen, Ping; Krause, Jeanette A.; Brooks, Elwood E.; Tsang, Pearl; Gudmundsdottir, Anna D.","Orbital-Overlap control in the solid-state reactivity of beta-azido-propiophenones: selective formation of cis-azo-dimers.","Organic letters","2008","10","5","937","940","10.1021/ol703098q","","","0.71073","MoKα","","0.0314","0.0289","","","0.0755","0.0782","","","","","","1.063","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504560","3.9521","0.0003","8.802","0.0006","13.9895","0.0009","94.508","0.002","95.291","0.002","95.818","0.002","480.17","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H8 Br N3 O -","- C9 H8 Br N3 O -","- C18 H16 Br2 N6 O2 -","2","1","","Sankaranarayanan, Jagadis; Bort, Lauren N.; Mandel, Sarah M.; Chen, Ping; Krause, Jeanette A.; Brooks, Elwood E.; Tsang, Pearl; Gudmundsdottir, Anna D.","Orbital-Overlap control in the solid-state reactivity of beta-azido-propiophenones: selective formation of cis-azo-dimers.","Organic letters","2008","10","5","937","940","10.1021/ol703098q","","","0.71073","MoKα","","0.0454","0.0338","","","0.0751","0.0782","","","","","","0.981","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504561","15.729","0.007","7.122","0.003","28.174","0.012","90","0.003","91.872","0.003","90","0.003","3154","2","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H15 N O -","- C24 H15 N O -","- C192 H120 N8 O8 -","8","1","","Kawaguchi, Keiko; Nakano, Koji; Nozaki, Kyoko","Synthesis, structures, and properties of unsymmetrical heteroacenes containing both pyrrole and furan rings.","Organic letters","2008","10","6","1199","1202","10.1021/ol703110g","","","0.7107","MoKα","","0.064","0.0535","","","0.1066","0.1111","","","","","","1.182","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504562","7.413","0.009","9.666","0.012","16.569","0.018","95.87","0.02","93.44","0.02","105.96","0.02","1131","2","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H27 N O2 -","- C30 H27 N O2 -","- C60 H54 N2 O4 -","2","1","","Kawaguchi, Keiko; Nakano, Koji; Nozaki, Kyoko","Synthesis, structures, and properties of unsymmetrical heteroacenes containing both pyrrole and furan rings.","Organic letters","2008","10","6","1199","1202","10.1021/ol703110g","","","0.7107","MoKα","","0.0707","0.0527","","","0.1206","0.1318","","","","","","1.113","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504563","7.456","0.004","9.716","0.005","19.358","0.01","79.59","0.02","80.19","0.02","73.716","0.02","1313.2","1.2","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H35 N O2 -","- C34 H35 N O2 -","- C68 H70 N2 O4 -","2","1","","Kawaguchi, Keiko; Nakano, Koji; Nozaki, Kyoko","Synthesis, structures, and properties of unsymmetrical heteroacenes containing both pyrrole and furan rings.","Organic letters","2008","10","6","1199","1202","10.1021/ol703110g","","","0.7107","MoKα","","0.0764","0.0537","","","0.1259","0.1418","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504564","8.6159","0.0012","14.929","0.002","15.652","0.002","90","","95.181","0.01","90","","2005","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N O5 -","- C21 H25 N O5 -","- C84 H100 N4 O20 -","4","1","","Zhang, Yan-Dong; Ren, Wei-Wu; Lan, Yu; Xiao, Qing; Wang, Kai; Xu, Jie; Chen, Jia-Hua; Yang, Zhen","Stereoselective construction of an unprecedented 7-8 fused ring system in micrandilactone a by [3,3]-sigmatropic rearrangement.","Organic letters","2008","10","4","665","668","10.1021/ol703126q","","","0.71073","MoKα","","0.1562","0.0469","","","0.0805","0.1072","","","","","","0.987","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504565","7.2324","0.0001","15.679","0.0002","16.8439","0.0002","90","","90.876","0.001","90","","1909.82","0.04","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 Br O3 -","- C21 H25 Br O3 -","- C84 H100 Br4 O12 -","4","1","","Zhang, Yan-Dong; Ren, Wei-Wu; Lan, Yu; Xiao, Qing; Wang, Kai; Xu, Jie; Chen, Jia-Hua; Yang, Zhen","Stereoselective construction of an unprecedented 7-8 fused ring system in micrandilactone a by [3,3]-sigmatropic rearrangement.","Organic letters","2008","10","4","665","668","10.1021/ol703126q","","","0.71073","MoKα","","0.0508","0.034","","","0.0811","0.089","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504566","10.838","0.004","16.454","0.006","22.53","0.009","90","","90","","90","","4018","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H45 N2 O9 -","- C38 H45 N2 O9 -","- C152 H180 N8 O36 -","4","1","","Deng, Zhang-Shuang; Li, Jian-Xin; Teng, Peng; Li, Peng; Sun, Xiao-Ru","Biocatalyzed cross-coupling of sinomenine and guaiacol by Antrodiella semisupina.","Organic letters","2008","10","6","1119","1122","10.1021/ol800024u","","","0.71073","MoKα","","0.1152","0.1073","","","0.3028","0.3148","","","","","","1.376","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504567","8.575","0.005","9.11","0.005","11.133","0.005","76.11","0.005","80.871","0.005","64.089","0.005","757.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H14 Br N O2 S2 -","- C13 H14 Br N O2 S2 -","- C26 H28 Br2 N2 O4 S4 -","2","1","","Kumar, Sarvesh; Peruncheralathan, Saravanan; Ila, Hiriyakkanavar; Junjappa, Hiriyakkanavar","A novel anionic domino process for the synthesis of o-cyanoaryl-methylthio/alkyl/aryl/heteroaryl acetylenes.","Organic letters","2008","10","5","965","968","10.1021/ol800029c","","","0.71073","MoKα","","0.0784","0.0469","","","0.1272","0.1401","","","","","","1.046","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504568","8.0238","0.0016","8.2194","0.0016","10.083","0.002","97.72","0.03","99.44","0.03","111.16","0.03","598.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 N O2 S -","- C12 H11 N O2 S -","- C24 H22 N2 O4 S2 -","2","1","","Kumar, Sarvesh; Peruncheralathan, Saravanan; Ila, Hiriyakkanavar; Junjappa, Hiriyakkanavar","A novel anionic domino process for the synthesis of o-cyanoaryl-methylthio/alkyl/aryl/heteroaryl acetylenes.","Organic letters","2008","10","5","965","968","10.1021/ol800029c","","","0.71073","MoKα","","0.1126","0.0763","","","0.1681","0.2039","","","","","","1.041","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504569","7.746","0.002","9.39","0.002","13.269","0.01","78.439","0.003","74.706","0.004","78.919","0.002","902.1","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H24 O2 -","- C24 H24 O2 -","- C48 H48 O4 -","2","1","","Silva, Jr, Luiz F; Vasconcelos, Ramon S.; Nogueira, Mário A","Iodine(III)-promoted ring expansion of 1-vinylcycloalkanol derivatives: a metal-free approach toward seven-membered rings.","Organic letters","2008","10","5","1017","1020","10.1021/ol800048f","","","0.71073","MoKα","","0.1392","0.0516","","","0.1115","0.1426","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504570","10.7896","0.0002","11.2493","0.0002","41.8746","0.0008","90","","90","","90","","5082.55","0.16","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 N2 O4 S2 -","- C24 H30 N2 O4 S2 -","- C192 H240 N16 O32 S16 -","8","2","","Ohno, Hiroaki; Okano, Akinori; Kosaka, Shohei; Tsukamoto, Koji; Ohata, Miyo; Ishihara, Kotaro; Maeda, Hatsuo; Tanaka, Tetsuaki; Fujii, Nobutaka","Direct construction of bicyclic heterocycles by palladium-catalyzed domino cyclization of propargyl bromides.","Organic letters","2008","10","6","1171","1174","10.1021/ol800063d","","","1.54178","CuKα","","0.0716","0.0494","","","0.0951","0.1216","","","","","","1.131","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504571","6.7025","0.0003","6.7025","0.0003","59.243","0.006","90","","90","","90","","2661.4","0.3","100","","100","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C15 H16 Br N O -","- C15 H16 Br N O -","- C120 H128 Br8 N8 O8 -","8","1","","Lee, Ernest E.; Rovis, Tomislav","Enantioselective synthesis of indolizidines bearing quaternary substituted stereocenters via rhodium-catalyzed [2+2+2] cycloaddition of alkenyl isocyanates and terminal alkynes.","Organic letters","2008","10","6","1231","1234","10.1021/ol800086s","","","0.71073","MoKα","","0.0624","0.043","","","0.0823","0.0891","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504572","12.0515","0.0013","13.3613","0.0015","12.2294","0.0013","90","","109.742","0.002","90","","1853.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 Br N O3 -","- C19 H20 Br N O3 -","- C76 H80 Br4 N4 O12 -","4","1","","Deng, Qing-Hai; Xu, Hai-Wei; Yuen, Angella Wing-Hoi; Xu, Zhen-Jiang; Che, Chi-Ming","Ruthenium-catalyzed one-pot carbenoid N-H insertion reactions and diastereoselective synthesis of prolines.","Organic letters","2008","10","8","1529","1532","10.1021/ol800087p","","","0.71073","MoKα","","0.0712","0.0396","","","0.0802","0.0859","","","","","","0.838","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504573","12.599","0.001","19.118","0.002","22.607","0.002","64.92","0.01","83.72","0.01","83.75","0.01","4890.5","0.9","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C50 H67 O8.5 -","- C50 H67 O8.5 -","- C200 H268 O34 -","4","2","","Troisi, Francesco; Citro, Lucia; Gaeta, Carmine; Gavuzzo, Enrico; Neri, Placido","Oxyfunctionalization of calixarene quinone rings","Organic Letters","2008","10","7","1393","1396","10.1021/ol800090u","","","1.54178","CuKα","","0.067","0.067","","0.089","0.089","","","","0.636","0.636","0.636","","","","","has coordinates","218604","2020-10-21","18:00:00",""
"1504574","20.45","0.01","12.501","0.003","19.027","0.008","90","","125.3","0.03","90","","3970","3","293","","293","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C42 H54 O10 -","- C42 H54 O10 -","- C168 H216 O40 -","4","0.5","","Troisi, Francesco; Citro, Lucia; Gaeta, Carmine; Gavuzzo, Enrico; Neri, Placido","Oxyfunctionalization of calixarene quinone rings","Organic Letters","2008","10","7","1393","1396","10.1021/ol800090u","","","1.54178","CuKα","","0.0733","0.0618","","","0.1776","0.186","","","","","","1.11","","","","has coordinates,has disorder","218604","2020-10-21","18:00:00",""
"1504575","7.339","0.004","9.993","0.005","20.287","0.01","90","","90","","90","","1487.8","1.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","tf09-115","(E)-Ethyl 1-(2-iodo-1-phenylvinyl)-2-oxocyclopentanecarboxylate","","- C16 H17 I O3 -","- C16 H17 I O3 -","- C64 H68 I4 O12 -","4","1","","Tsuji, Hayato; Fujimoto, Taisuke; Endo, Kohei; Nakamura, Masaharu; Nakamura, Eiichi","Stereoselective synthesis of trisubstituted E-iodoalkenes by indium-catalyzed syn-addition of 1,3-dicarbonyl compounds to 1-iodoalkynes.","Organic letters","2008","10","6","1219","1221","10.1021/ol800105r","","","0.7107","MoKα","","0.0159","0.0155","","","0.0365","0.0366","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504576","7.056","0.005","9.481","0.005","12.731","0.005","101.717","0.005","99.034","0.005","107.867","0.005","771.4","0.7","291","2","291","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H26 O4 -","- C18 H26 O4 -","- C36 H52 O8 -","2","1","","Wang, Qiaoling; Chen, Chuo","An approach to the core skeleton of lancifodilactone F.","Organic letters","2008","10","6","1223","1226","10.1021/ol800111j","","","0.71069","MoKα","","0.0705","0.0568","","","0.1647","0.1929","","","","","","0.901","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504577","9.835","0.003","13.049","0.003","13.934","0.007","103.045","0.007","102.745","0.01","108.223","0.016","1570.7","1","291","2","291","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H26 O4 -","- C18 H26 O4 -","- C72 H104 O16 -","4","2","","Wang, Qiaoling; Chen, Chuo","An approach to the core skeleton of lancifodilactone F.","Organic letters","2008","10","6","1223","1226","10.1021/ol800111j","","","0.71073","MoKα","","0.1191","0.0714","","","0.199","0.2591","","","","","","0.931","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504578","7.321","0.005","13.267","0.005","16.259","0.005","90","0.005","100.517","0.005","90","0.005","1552.7","1.3","291","2","291","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C18 H26 O4 -","- C18 H26 O4 -","- C72 H104 O16 -","4","1","","Wang, Qiaoling; Chen, Chuo","An approach to the core skeleton of lancifodilactone F.","Organic letters","2008","10","6","1223","1226","10.1021/ol800111j","","","0.71069","MoKα","","0.0489","0.0432","","","0.1176","0.1235","","","","","","1.125","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504579","7.651","0.005","12.277","0.004","19.937","0.005","90","0","90.869","0.015","90","0","1872.5","1.4","291","2","291","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 O4 -","- C21 H32 O4 -","- C84 H128 O16 -","4","1","","Wang, Qiaoling; Chen, Chuo","An approach to the core skeleton of lancifodilactone F.","Organic letters","2008","10","6","1223","1226","10.1021/ol800111j","","","0.71069","MoKα","","0.0891","0.0686","","","0.1766","0.1917","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504580","9.465","0.008","12.243","0.01","12.556","0.01","116.306","0.013","91.069","0.015","104.607","0.014","1247.8","1.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","3,3'-Bipyrrole ester","5,5'-Dimethyl-2,2'-diphenyl-1H,1'H-[3,3']-bipyrrolyl-4,4'-dicarboxylic acid diethyl ester","","- C28 H28 N2 O4 -","- C28 H28 N2 O4 -","- C56 H56 N4 O8 -","2","1","","Dey, Sumit; Pal, Churala; Nandi, Debkumar; Giri, Venkatachalam Sesha; Zaidlewicz, Marek; Krzeminski, Marek; Smentek, Lidia; Hess, Jr, B Andes; Gawronski, Jacek; Kwit, Marcin; Babu, N. Jagadeesh; Nangia, Ashwini; Jaisankar, Parasuraman","Lewis acid-catalyzed one-pot, three-component route to chiral 3,3'-bipyrroles","Organic letters","2008","10","7","1373","1376","10.1021/ol800115p","","","0.71073","MoKα","","0.1567","0.0976","","","0.2176","0.248","","","","","","1.057","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504581","6.6159","0.0002","24.3508","0.0007","8.0178","0.0002","90","","99.115","0.002","90","","1275.38","0.06","120","","120","","","","100","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H17 I O3 -","- C12 H17 I O3 -","- C48 H68 I4 O12 -","4","1","","Zhou, Quan; Snider, Barry B.","Synthesis of (+/-)-vibralactone.","Organic letters","2008","10","7","1401","1404","10.1021/ol800118c","","","0.71073","MoKα","","0.0293","0.0242","","0.0564","0.0546","0.0564","","","","","","1.0143","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504582","10.4896","0.0011","16.0564","0.0017","10.5043","0.0011","90","","115.511","0.002","90","","1596.7","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H34 Cl2 N2 O2 S2 -","- C31 H34 Cl2 N2 O2 S2 -","- C62 H68 Cl4 N4 O4 S4 -","2","1","","Zhu, Chen; Shi, Yun; Xu, Ming-Hua; Lin, Guo-Qiang","An efficient and versatile approach for optical resolution of C2-symmetric axially chiral biaryl dials. Synthesis of enantiopure biaryl-derived cyclic trans-1,2-diols.","Organic letters","2008","10","6","1243","1246","10.1021/ol800122x","","","0.71073","MoKα","","0.0906","0.0551","","","0.1326","0.1545","","","","","","0.858","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504583","10.634","0.002","6.6025","0.0013","13.996","0.003","90","","109.982","0.004","90","","923.5","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H20 O4 -","- C24 H20 O4 -","- C48 H40 O8 -","2","1","","Zhu, Chen; Shi, Yun; Xu, Ming-Hua; Lin, Guo-Qiang","An efficient and versatile approach for optical resolution of C2-symmetric axially chiral biaryl dials. Synthesis of enantiopure biaryl-derived cyclic trans-1,2-diols.","Organic letters","2008","10","6","1243","1246","10.1021/ol800122x","","","0.71073","MoKα","","0.0756","0.0526","","","0.1116","0.121","","","","","","0.862","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504584","9.0773","0.0013","10.2119","0.0014","12.5888","0.0017","90","","90","","90","","1166.9","0.3","123.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 O3 -","- C13 H18 O3 -","- C52 H72 O12 -","4","1","","Ohtsuki, Keiko; Matsuo, Kazumasa; Yoshikawa, Takashi; Moriya, Chihiro; Tomita-Yokotani, Kaori; Shishido, Kozo; Shindo, Mitsuru","Total synthesis of (+)- and (-)-sundiversifolide via intramolecular acylation and determination of the absolute configuration.","Organic letters","2008","10","6","1247","1250","10.1021/ol8001333","","","1.54187","CuKα","","","0.047","","","","0.1447","","","","","","1.116","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504585","14.0785","0.0005","15.5284","0.0005","19.1018","0.0008","71.515","0.001","71.034","0.001","65.192","0.001","3504.5","0.2","123","2","123","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","FeC60THFC6H4iPr4Cp","","- C111 H60 Cl2 Fe O -","- C111 H60 Cl2 Fe O -","- C222 H120 Cl4 Fe2 O2 -","2","1","","Matsuo, Yutaka; Zhang, Ying; Nakamura, Eiichi","Addition of tetrahydrofuran to [60]fullerene through C-H bond activation induced by arylzinc reagents.","Organic letters","2008","10","6","1251","1254","10.1021/ol800143b","","x-ray","0.71073","MoKα","","0.1267","0.0735","","","0.1992","0.2465","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504586","15.9492","0.0008","16.1584","0.0008","16.7445","0.0008","108.043","0.001","106.364","0.001","91.438","0.001","3906.9","0.3","123","2","123","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","FeC60C4H7Br2C6H4iPr4Cp","","- C108 H59 Br2 Cl9 Fe -","- C108 H59 Br2 Cl9 Fe -","- C216 H118 Br4 Cl18 Fe2 -","2","1","","Matsuo, Yutaka; Zhang, Ying; Nakamura, Eiichi","Addition of tetrahydrofuran to [60]fullerene through C-H bond activation induced by arylzinc reagents.","Organic letters","2008","10","6","1251","1254","10.1021/ol800143b","","x-ray","0.71073","MoKα","","0.0691","0.0597","","","0.167","0.1783","","","","","","1.05","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504587","5.731","0.0011","9.956","0.002","11.765","0.002","106.35","0.03","96.43","0.03","100.74","0.03","623.2","0.3","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C26 H30 N2 O6 -","2","2","","Garrido, Narciso M.; García, Mercedes; Díez, David; Sánchez, M Rosa; Sanz, F.; Urones, Julio G.","Diastereoselective synthesis of delta-aminoacids through domino Ireland-Claisen rearrangement and Michael addition.","Organic letters","2008","10","9","1687","1690","10.1021/ol8001464","","","1.5418","CuKα","","0.0483","0.0441","","0.1256","0.1213","","","","1.027","1.074","1.074","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504588","8.9648","0.001","9.3633","0.0011","24.021","0.003","90","","90","","90","","2016.3","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 Br N O3 S -","- C17 H24 Br N O3 S -","- C68 H96 Br4 N4 O12 S4 -","4","1","","Sun, Xing-Wen; Liu, Min; Xu, Ming-Hua; Lin, Guo-Qiang","Remarkable salt effect on In-mediated allylation of N-tert-butanesulfinyl imines in aqueous media: highly practical asymmetric synthesis of chiral homoallylic amines and isoindolinones.","Organic letters","2008","10","6","1259","1262","10.1021/ol8001514","","","0.71073","MoKα","","0.1008","0.06","","","0.118","0.137","","","","","","0.91","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504589","12.9818","0.0008","9.8352","0.0007","8.9683","0.0006","90","","90.586","0.004","90","","1145","0.13","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 O4 -","- C28 H32 O4 -","- C56 H64 O8 -","2","0.5","","Beer, Stephan; Brandhorst, Kai; Grunenberg, Jörg; Hrib, Cristian G.; Jones, Peter G.; Tamm, Matthias","Preparation of cyclophanes by room-temperature ring-closing alkyne metathesis with imidazolin-2-iminato tungsten alkylidyne complexes.","Organic letters","2008","10","5","981","984","10.1021/ol800154y","","","0.71073","MoKα","","0.1229","0.0843","","","0.2317","0.2488","","","","","","1.179","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504590","8.292","0.004","16.943","0.009","8.169","0.004","90","","93.057","0.014","90","","1146","1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C56 H64 O8 -","4","1","","Beer, Stephan; Brandhorst, Kai; Grunenberg, Jörg; Hrib, Cristian G.; Jones, Peter G.; Tamm, Matthias","Preparation of cyclophanes by room-temperature ring-closing alkyne metathesis with imidazolin-2-iminato tungsten alkylidyne complexes.","Organic letters","2008","10","5","981","984","10.1021/ol800154y","","","0.71073","MoKα","","0.1606","0.0583","","","0.1181","0.1597","","","","","","0.987","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504591","11.2087","0.0005","12.0664","0.0005","13.4025","0.0006","103.995","0.0013","112.391","0.001","97.9045","0.0011","1572.08","0.12","296","1","","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H31 N2 O2 P S -","- C38 H31 N2 O2 P S -","- C76 H62 N4 O4 P2 S2 -","2","1","","Cui, Sun-Liang; Wang, Jing; Wang, Yan-Guang","Copper-catalyzed multicomponent reaction: facile access to novel phosphorus amidines.","Organic letters","2008","10","6","1267","1269","10.1021/ol800160q","","","0.71075","MoKα","","","0.0401","","","","0.1056","","","","","","1.007","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504592","9.9073","0.0005","11.6315","0.0004","17.0006","0.0007","85.2609","0.001","85.6942","0.0013","87.5166","0.0013","1945.53","0.14","296","1","","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H37 Br N3 O4 P S2 -","- C42 H37 Br N3 O4 P S2 -","- C84 H74 Br2 N6 O8 P2 S4 -","2","1","","Cui, Sun-Liang; Wang, Jing; Wang, Yan-Guang","Copper-catalyzed multicomponent reaction: facile access to novel phosphorus amidines.","Organic letters","2008","10","6","1267","1269","10.1021/ol800160q","","","0.71075","MoKα","","","0.0362","","","","0.117","","","","","","1.015","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504593","11.0748","0.0002","13.0716","0.0003","25.1947","0.0005","90","","90","","90","","3647.32","0.13","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Sp,Ss)*-4-benzylsulfinyl-[2.2]-paracyclophane","","- C23 H22 O S -","- C23 H22 O S -","- C184 H176 O8 S8 -","8","1","","Lohier, Jean-François; Foucoin, Florian; Jaffrès, Paul-Alain; Garcia, José I; Sopková-de Oliveira Santos, Jana; Perrio, Stéphane; Metzner, Patrick","An efficient and straightforward access to sulfur substituted [2.2]paracyclophanes: application to stereoselective sulfenate salt alkylation.","Organic letters","2008","10","6","1271","1274","10.1021/ol800161m","","","0.71073","MoKα","","0.0874","0.0437","","","0.1046","0.1379","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504594","13.8811","0.0009","9.2532","0.0006","10.656","0.0007","90","","93.048","0.004","90","","1366.77","0.15","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Sp,Ss)*-4-methylsulfinyl-[2.2]-paracyclophane","","- C17 H18 O S -","- C17 H18 O S -","- C68 H72 O4 S4 -","4","1","","Lohier, Jean-François; Foucoin, Florian; Jaffrès, Paul-Alain; Garcia, José I; Sopková-de Oliveira Santos, Jana; Perrio, Stéphane; Metzner, Patrick","An efficient and straightforward access to sulfur substituted [2.2]paracyclophanes: application to stereoselective sulfenate salt alkylation.","Organic letters","2008","10","6","1271","1274","10.1021/ol800161m","","","0.71073","MoKα","","0.0486","0.0357","","","0.1033","0.1186","","","","","","1.108","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504595","15.5982","0.0005","8.7362","0.0003","11.1429","0.0004","90","","91.457","0.002","90","","1517.94","0.09","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Sp,Ss)*-4-ethylsulfinyl-[2.2]-paracyclophane","","- C18 H20 O S -","- C18 H20 O S -","- C72 H80 O4 S4 -","4","1","","Lohier, Jean-François; Foucoin, Florian; Jaffrès, Paul-Alain; Garcia, José I; Sopková-de Oliveira Santos, Jana; Perrio, Stéphane; Metzner, Patrick","An efficient and straightforward access to sulfur substituted [2.2]paracyclophanes: application to stereoselective sulfenate salt alkylation.","Organic letters","2008","10","6","1271","1274","10.1021/ol800161m","","","0.71073","MoKα","","0.116","0.0478","","","0.1242","0.161","","","","","","0.991","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504596","13.6561","0.0005","16.409","0.0006","26.0092","0.001","90","","90","","90","","5828.2","0.4","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H35 N4 O4.5 -","- C34 H35 N4 O4.5 -","- C272 H280 N32 O36 -","8","1","","Hu, Hai-Yu; Xiang, Jun-Feng; Yang, Yong; Chen, Chuan-Feng","Chiral induction in phenanthroline-derived oligoamide foldamers: an acid- and base-controllable switch in helical molecular strands.","Organic letters","2008","10","6","1275","1278","10.1021/ol8001688","","","0.7107","MoKα","","0.0738","0.0653","","","0.1273","0.1309","","","","","","1.237","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504597","11.593","0.002","11.938","0.002","14.843","0.003","103.82","0.03","93.69","0.03","108.25","0.03","1872.7","0.8","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C37 H39 F3 N4 O7 S -","- C37 H39 F3 N4 O7 S -","- C74 H78 F6 N8 O14 S2 -","2","2","","Hu, Hai-Yu; Xiang, Jun-Feng; Yang, Yong; Chen, Chuan-Feng","Chiral induction in phenanthroline-derived oligoamide foldamers: an acid- and base-controllable switch in helical molecular strands.","Organic letters","2008","10","6","1275","1278","10.1021/ol8001688","","","0.71073","MoKα","","0.1726","0.0828","","","0.1642","0.1923","","","","","","0.891","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504598","8.0559","0.0007","10.018","0.0009","21.3683","0.0019","98.738","0.002","95.006","0.002","104.636","0.002","1634.9","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","05274","","","- C37 H27 N7 S2 -","- C37 H27 N7 S2 -","- C74 H54 N14 S4 -","2","1","","Pappenfus, Ted M.; Hermanson, Bethany J.; Helland, Tyler J.; Lee, Garett G. W.; Drew, Steven M.; Mann, Kent R.; McGee, Kari A.; Rasmussen, Seth C.","Reduced band gap dithieno[3,2-b:2',3'-d]pyrroles: new n-type organic materials via unexpected reactivity.","Organic letters","2008","10","8","1553","1556","10.1021/ol8002018","","","0.71073","MoKα","","0.0743","0.0503","","","0.1294","0.1525","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504599","6.8734","0.0006","10.4761","0.0009","16.9087","0.0015","80.006","0.001","79.873","0.002","71.976","0.002","1130.48","0.17","173","2","173","2","","","","","","","","4","P -1","-P 1","2","07278a","","","- C26 H19 N5 S2 -","- C26 H19 N5 S2 -","- C52 H38 N10 S4 -","2","1","","Pappenfus, Ted M.; Hermanson, Bethany J.; Helland, Tyler J.; Lee, Garett G. W.; Drew, Steven M.; Mann, Kent R.; McGee, Kari A.; Rasmussen, Seth C.","Reduced band gap dithieno[3,2-b:2',3'-d]pyrroles: new n-type organic materials via unexpected reactivity.","Organic letters","2008","10","8","1553","1556","10.1021/ol8002018","","","0.71073","MoKα","","0.0829","0.0454","","","0.1051","0.1275","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504600","9.2961","0.0004","13.8333","0.0006","22.063","0.001","90","","100.538","0.001","90","","2789.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 N4 O2 -","- C34 H36 N4 O2 -","- C136 H144 N16 O8 -","4","1","","Zheng, Hong; Shang, Gui-Qin; Yang, Shi-Yao; Gao, Xia; Xu, Jin-Gou","Fluorogenic and chromogenic rhodamine spirolactam based probe for nitric oxide by spiro ring opening reaction.","Organic letters","2008","10","12","2357","2360","10.1021/ol800206x","","","0.71073","MoKα","","0.0866","0.0622","","","0.1659","0.1831","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504601","13.6286","0.0005","16.304","0.0005","34.1699","0.0011","90","","90","","90","","7592.6","0.4","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C66 H88 N4 O39.5 -","- C66 H88 N4 O39.5 -","- C264 H352 N16 O158 -","4","1","","Maniam, Subashani; Cieslinski, Marta M.; Lincoln, Stephen F.; Onagi, Hideki; Steel, Peter J.; Willis, Anthony C.; Easton, Christopher J.","Molecular fibers and wires in solid-state and solution self-assemblies of cyclodextrin [2]rotaxanes.","Organic letters","2008","10","10","1885","1888","10.1021/ol8002145","","","0.71073","MoKα","","0.0735","0.0643","","","0.1603","0.1689","","","","","","1.041","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1504602","13.832","0.0003","22.7978","0.0005","24.1251","0.0005","90","","90","","90","","7607.6","0.3","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C68 H90 N2 O39 -","- C68 H90 N2 O39 -","- C272 H360 N8 O156 -","4","1","","Maniam, Subashani; Cieslinski, Marta M.; Lincoln, Stephen F.; Onagi, Hideki; Steel, Peter J.; Willis, Anthony C.; Easton, Christopher J.","Molecular fibers and wires in solid-state and solution self-assemblies of cyclodextrin [2]rotaxanes.","Organic letters","2008","10","10","1885","1888","10.1021/ol8002145","","","0.71073","MoKα","","0.0593","0.0546","","","0.1597","0.1662","","","","","","1.048","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504603","5.0641","0.0001","10.991","0.0003","22.277","0.0005","90","","90.902","0.0014","90","","1239.77","0.05","200","","200","","","","","","","","local","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N4 O2 -","- C30 H28 N4 O2 -","- C60 H56 N8 O4 -","2","0.5","","Maniam, Subashani; Cieslinski, Marta M.; Lincoln, Stephen F.; Onagi, Hideki; Steel, Peter J.; Willis, Anthony C.; Easton, Christopher J.","Molecular fibers and wires in solid-state and solution self-assemblies of cyclodextrin [2]rotaxanes.","Organic letters","2008","10","10","1885","1888","10.1021/ol8002145","","","0.71073","MoKα","","0.0779","0.0434","","0.0496","0.0435","0.0435","","","","","","1.0932","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504604","4.668","0.002","13.096","0.006","24.086","0.011","90","","90","","90","","1472.4","1.1","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Br O3 -","- C16 H17 Br O3 -","- C64 H68 Br4 O12 -","4","1","","Adams, Harry; Gilmore, Nathan J.; Jones, Simon; Muldowney, Mark P.; von Reuss, Stephan H.; Vemula, Ramesh","Asymmetric synthesis of corsifuran A by an enantioselective oxazaborolidine reduction.","Organic letters","2008","10","7","1457","1460","10.1021/ol800239q","","","0.71073","MoKα","","0.0673","0.0444","","","0.0896","0.0979","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504605","4.656","0.002","13.095","0.006","23.986","0.011","90","","90","","90","","1462.4","1.1","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Br O3 -","- C16 H17 Br O3 -","- C64 H68 Br4 O12 -","4","1","","Adams, Harry; Gilmore, Nathan J.; Jones, Simon; Muldowney, Mark P.; von Reuss, Stephan H.; Vemula, Ramesh","Asymmetric synthesis of corsifuran A by an enantioselective oxazaborolidine reduction.","Organic letters","2008","10","7","1457","1460","10.1021/ol800239q","","","0.71073","MoKα","","0.0419","0.0311","","","0.0618","0.0651","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504606","7.3653","0.0004","11.5496","0.0007","13.7255","0.0009","95.528","0.004","90.616","0.004","107.472","0.004","1107.56","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","JI-1236-1","","","- C23 H28 N2 O6 -","- C23 H28 N2 O6 -","- C46 H56 N4 O12 -","2","1","","Isaacson, Jerry; Loo, Mandy; Kobayashi, Yoshihisa","Total synthesis of (+/-)-dysibetaine.","Organic letters","2008","10","7","1461","1463","10.1021/ol800245m","","","1.54178","CuKα","","0.0519","0.0424","","","0.1218","0.1415","","","","","","1.061","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"1504607","13.7887","0.0003","8.2013","0.0003","25.4017","0.001","90","","90","","90","","2872.56","0.17","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C136 H160 N16 O16 -","8","1","","Magolan, Jakob; Carson, Cheryl A.; Kerr, Michael A.","Total synthesis of (+/-)-mersicarpine.","Organic letters","2008","10","7","1437","1440","10.1021/ol800259s","","","0.71073","MoKα","","0.0912","0.0479","","","0.1082","0.126","","","","","","1.045","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504608","6.761","0.003","7.616","0.004","9.075","0.006","99.12","0.03","109.96","0.03","100.07","0.02","420.3","0.4","99","2","99","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H24 B2 P2 -","- C16 H24 B2 P2 -","- C16 H24 B2 P2 -","1","0.5","","Morisaki, Yasuhiro; Imoto, Hiroaki; Ouchi, Yuko; Nagata, Yuuya; Chujo, Yoshiki","Stereospecific construction of a trans-1,4-diphosphacyclohexane skeleton.","Organic letters","2008","10","7","1489","1492","10.1021/ol800261j","","","0.71075","MoKα","","0.0487","0.0441","","","0.1373","0.1409","","","","","","1.092","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1504609","9.2007","0.0001","11.5462","0.0001","16.0967","0.0001","90","","90","","90","","1710","0.03","123","","123","","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 Br N2 -","- C19 H23 Br N2 -","- C76 H92 Br4 N8 -","4","1","","Maity, Prantik; König, Burkhard","Synthesis and structure of 1,4-dipiperazino benzenes: chiral terphenyl-type peptide helix mimetics.","Organic letters","2008","10","7","1473","1476","10.1021/ol8002749","","x-ray","1.54184","CuKα","","0.0307","0.0266","","","0.0616","0.0626","","","","","","1.008","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504610","9.319","0.0003","5.5464","0.0002","19.6979","0.0004","90","","96.756","0.002","90","","1011.05","0.05","150","","150","","","","","","","","see text","4","P 1 21 1","P 2yb","4","","","","- C22 H29 Br N2 -","- C22 H29 Br N2 -","- C44 H58 Br2 N4 -","2","1","","Maity, Prantik; König, Burkhard","Synthesis and structure of 1,4-dipiperazino benzenes: chiral terphenyl-type peptide helix mimetics.","Organic letters","2008","10","7","1473","1476","10.1021/ol8002749","","x-ray","1.54184","CuKα","","0.0826","0.048","","","0.0879","0.0943","","","","","","0.833","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504611","14.3614","0.0004","6.9622","0.0002","14.6044","0.0004","90","","108.42","0.003","90","","1385.43","0.07","123","","123","","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C17 H40 Br5 N4 O4 -","- C17 H40 Br5 N4 O4 -","- C34 H80 Br10 N8 O8 -","2","1","","Maity, Prantik; König, Burkhard","Synthesis and structure of 1,4-dipiperazino benzenes: chiral terphenyl-type peptide helix mimetics.","Organic letters","2008","10","7","1473","1476","10.1021/ol8002749","","x-ray","1.54184","CuKα","","0.0421","0.0339","","","0.0739","0.0756","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504612","9.4619","0.0007","9.9524","0.0007","13.4869","0.001","88.13","0.001","80.344","0.001","63.197","0.001","1116.2","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H10 N4 O2 -","- C11 H10 N4 O2 -","- C44 H40 N16 O8 -","4","2","","Sengupta, Sujata; Duan, Haifeng; Lu, Weibing; Petersen, Jeffrey L.; Shi, Xiaodong","One step cascade synthesis of 4,5-disubstituted-1,2,3-(NH)-triazoles.","Organic letters","2008","10","7","1493","1496","10.1021/ol8002783","","","0.71073","MoKα","","0.0763","0.0574","","","0.1628","0.1822","","","","","","1.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504613","6.779","0.0003","6.6026","0.0003","13.2443","0.0006","90","","91.483","0.002","90","","592.6","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H16 Cl2 N4 O2 -","- C8 H16 Cl2 N4 O2 -","- C16 H32 Cl4 N8 O4 -","2","1","","Oliva, Ana I.; Christmann, Ute; Font, Daniel; Cuevas, Félix; Ballester, Pablo; Buschmann, Helmut; Torrens, Antoni; Yenes, Susana; Pericàs, Miquel A","Intramolecular azide-alkyne cycloaddition for the fast assembly of structurally diverse, tricyclic 1,2,3-triazoles.","Organic letters","2008","10","8","1617","1619","10.1021/ol800291t","","","0.71073","MoKα","","0.0405","0.039","","","0.107","0.1079","","","","","","1.117","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504614","8.357","0.007","10.787","0.011","18.555","0.018","95.68","0.02","100.89","0.02","102.76","0.02","1585","3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C80 H84 N4 O4 -","- C80 H84 N4 O4 -","- C80 H84 N4 O4 -","1","0.5","","Opris, Dorina M.; Ossenbach, Alexander; Lentz, Dieter; Schlüter, A Dieter","A set of homologous hetarylenediyne macrocycles by oxidative acetylene-acetylene coupling.","Organic letters","2008","10","11","2091","2093","10.1021/ol800316b","","","0.71073","MoKα","","0.3102","0.0872","","","0.0773","0.1126","","","","","","0.745","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504615","7.9661","0.0015","8.8334","0.0017","18.602","0.003","90","","90","","90","","1309","0.4","173","2","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N O3 S -","- C13 H17 N O3 S -","- C52 H68 N4 O12 S4 -","4","1","","Unthank, Matthew G.; Tavassoli, Bahareh; Aggarwal, Varinder K.","Epoxy-annulations by reactions of alpha-amido ketones with vinyl sulfonium salts. Reagent versus substrate control and kinetic resolution.","Organic letters","2008","10","7","1501","1504","10.1021/ol800318h","","x-ray","0.71074","MoKα","","0.1353","0.0552","","","0.0864","0.1047","","","","","","0.974","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504616","16.45","0.02","9.598","0.012","17.57","0.02","90","","117.585","0.018","90","","2459","5","300","2","300","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 F6 Mn N4 O6 S2 -","- C16 H24 F6 Mn N4 O6 S2 -","- C64 H96 F24 Mn4 N16 O24 S8 -","4","1","","Garcia-Bosch, Isaac; Company, Anna; Fontrodona, Xavier; Ribas, Xavi; Costas, Miquel","Efficient and selective peracetic Acid epoxidation catalyzed by a robust manganese catalyst.","Organic letters","2008","10","11","2095","2098","10.1021/ol800329m","","","0.71073","MoKα","","0.0964","0.0678","","","0.1981","0.2224","","","","","","1.069","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504617","8.2213","0.0007","10.3252","0.0008","15.6824","0.0013","103.531","0.001","96.67","0.001","103.309","0.001","1239.01","0.18","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 N8 O4 -","- C26 H24 N8 O4 -","- C52 H48 N16 O8 -","2","1","","Haridas, V.; Lal, Kashmiri; Sharma, Yogesh K.; Upreti, Shailesh","Design, synthesis, and self-assembling properties of novel triazolophanes.","Organic letters","2008","10","8","1645","1647","10.1021/ol8003386","","","0.71073","MoKα","","0.0456","0.041","","","0.1103","0.1139","","","","","","1.04","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504618","7.6817","0.0007","7.7026","0.0007","13.064","0.0011","84.422","0.004","88.023","0.004","70.592","0.004","725.61","0.11","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C18 F10 S2 -","- C18 F10 S2 -","- C36 F20 S4 -","2","1","","Wang, Yongfeng; Parkin, Sean R.; Gierschner, Johannes; Watson, Mark D.","Highly fluorinated benzobisbenzothiophenes.","Organic letters","2008","10","15","3307","3310","10.1021/ol8003468","","","1.54178","CuKα","","0.0352","0.0346","","","0.0917","0.0929","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504619","7.7116","0.0015","6.3972","0.0013","17.574","0.003","90","","98.04","0.03","90","","858.5","0.3","100","0.2","100","0.2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C20 F14 S2 -","- C20 F14 S2 -","- C40 F28 S4 -","2","0.25","","Wang, Yongfeng; Parkin, Sean R.; Gierschner, Johannes; Watson, Mark D.","Highly fluorinated benzobisbenzothiophenes.","Organic letters","2008","10","15","3307","3310","10.1021/ol8003468","","","1.54178","CuKα","","0.167","0.1613","","","0.4731","0.4768","","","","","","2.33","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1504620","10.9828","0.0007","4.5421","0.0003","15.0414","0.0009","90","","105.221","0.004","90","","724.02","0.08","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H2 F8 S2 -","- C18 H2 F8 S2 -","- C36 H4 F16 S4 -","2","0.5","","Wang, Yongfeng; Parkin, Sean R.; Gierschner, Johannes; Watson, Mark D.","Highly fluorinated benzobisbenzothiophenes.","Organic letters","2008","10","15","3307","3310","10.1021/ol8003468","","","1.54178","CuKα","","0.1196","0.0871","","","0.1962","0.2211","","","","","","1.15","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504621","4.597","0.0002","10.6439","0.0005","13.5333","0.0006","99.639","0.002","93.245","0.002","98.478","0.002","643.45","0.05","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H26 F8 S2 -","- C30 H26 F8 S2 -","- C30 H26 F8 S2 -","1","0.5","","Wang, Yongfeng; Parkin, Sean R.; Gierschner, Johannes; Watson, Mark D.","Highly fluorinated benzobisbenzothiophenes.","Organic letters","2008","10","15","3307","3310","10.1021/ol8003468","","","1.54178","CuKα","","0.058","0.0512","","","0.1343","0.1397","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504622","4.6141","0.0001","10.858","0.0002","19.0229","0.0004","95.796","0.001","92.501","0.001","99.176","0.001","934.31","0.03","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H50 F8 S2 -","- C42 H50 F8 S2 -","- C42 H50 F8 S2 -","1","0.5","","Wang, Yongfeng; Parkin, Sean R.; Gierschner, Johannes; Watson, Mark D.","Highly fluorinated benzobisbenzothiophenes.","Organic letters","2008","10","15","3307","3310","10.1021/ol8003468","","","1.54178","CuKα","","0.0498","0.0435","","","0.1165","0.1216","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504623","15.3542","0.0003","4.9003","0.0001","21.7359","0.0004","90","","96.509","0.001","90","","1624.87","0.05","90","0.2","90","0.2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C38 H36 F6 S2 -","- C38 H36 F6 S2 -","- C76 H72 F12 S4 -","2","0.5","","Wang, Yongfeng; Parkin, Sean R.; Gierschner, Johannes; Watson, Mark D.","Highly fluorinated benzobisbenzothiophenes.","Organic letters","2008","10","15","3307","3310","10.1021/ol8003468","","","1.54178","CuKα","","0.071","0.0655","","","0.1762","0.1817","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504624","14.0993","0.0017","16.56","0.002","12.0918","0.0015","90","","104.882","0.002","90","","2728.5","0.6","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 O5 Si2 -","- C26 H42 O5 Si2 -","- C104 H168 O20 Si8 -","4","1","","Sasaki, Michiko; Hashimoto, Azusa; Tanaka, Koudai; Kawahata, Masatoshi; Yamaguchi, Kentaro; Takeda, Kei","Diastereoselective Brook rearrangement-mediated [3+4] annulation: application to a formal synthesis of (+)-laurallene.","Organic letters","2008","10","9","1803","1805","10.1021/ol8003595","","","0.71073","MoKα","","0.0812","0.0487","","","0.1157","0.131","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504625","9.5017","0.0003","11.5112","0.0004","18.5478","0.0007","80.412","0.002","76.294","0.002","75.004","0.002","1891.78","0.12","100","2","100","2","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C40.5 H46 Cl3 N3 O5.5 -","- C39 H43 N3 O5 -","- C78 H86 N6 O10 -","2","1","","Lee, Jung-Jae; Noll, Bruce C.; Smith, Bradley D.","Fluorescent chemosensor for chloroalkanes.","Organic letters","2008","10","9","1735","1738","10.1021/ol8003723","","x-ray","0.71073","MoKα","","0.0671","0.06","","","0.1723","0.1788","","","","","","1.072","","","","has coordinates,has disorder","198667","2020-10-21","18:00:00",""
"1504626","11.598","0.0008","11.1081","0.0008","12.3688","0.0008","90","","103.11","0.0017","90","","1551.96","0.18","296.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C72 H68 N4 O12 -","4","1","","Wiedemann, Sean H.; Noda, Hidetoshi; Harada, Shinji; Matsunaga, Shigeki; Shibasaki, Masakatsu","Sc3±catalyzed aldol-type additions of N-benzoylcyclopropanecarboxamides via iodide-mediated ring-opening: stereoselective synthesis of gamma-lactams.","Organic letters","2008","10","8","1661","1664","10.1021/ol800401g","","","0.71075","MoKα","","","0.035","","","","0.1257","","","","","","0.934","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504627","11.1675","0.0008","7.3412","0.0005","18.1543","0.0015","90","","99.426","0.003","90","","1468.25","0.19","95.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C68 H68 N4 O16 -","4","1","","Wiedemann, Sean H.; Noda, Hidetoshi; Harada, Shinji; Matsunaga, Shigeki; Shibasaki, Masakatsu","Sc3±catalyzed aldol-type additions of N-benzoylcyclopropanecarboxamides via iodide-mediated ring-opening: stereoselective synthesis of gamma-lactams.","Organic letters","2008","10","8","1661","1664","10.1021/ol800401g","","","0.71075","MoKα","","","0.039","","","","0.0891","","","","","","1.006","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504628","36.7236","0.0013","7.3663","0.0004","25.1062","0.0009","90","","105.935","0.002","90","","6530.7","0.5","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H54 O5 Si2 -","- C28 H54 O5 Si2 -","- C224 H432 O40 Si16 -","8","2","","Zhan, Weiqiang; Jiang, Yi; Brodie, Peggy J.; Kingston, David G. I.; Liotta, Dennis C.; Snyder, James P.","Design and synthesis of C6-C8 bridged epothilone A.","Organic letters","2008","10","8","1565","1568","10.1021/ol800422q","","","1.54178","CuKα","","0.1341","0.0745","","","0.1975","0.2331","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504629","9.045","0.003","9.53","0.003","12.203","0.003","103.908","0.004","93.891","0.004","114.008","0.004","916.3","0.5","298","","298","","","","","","","","","4","P -1","-P 1","2","","1,2-Bis(isopropoxycarbonyl)-3-phenyl-2,3- dihydro-1H-pyrazole-4-carboxylic acid","","- C18 H22 N2 O6 -","- C18 H22 N2 O6 -","- C36 H44 N4 O12 -","2","1","","Basavaiah, Deevi; Roy, Suparna","Dimethyl sulfide induced [3+2] annulation strategy: an efficient synthesis of functionalized dihydropyrazole derivatives using the Baylis-Hillman bromides.","Organic letters","2008","10","9","1819","1821","10.1021/ol800424v","","","0.71073","MoKα","","0.0512","0.0432","","","0.1115","0.1173","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504630","9.6563","0.0012","9.7707","0.0012","12.1973","0.0015","104.422","0.002","91.659","0.002","115.368","0.002","994.9","0.2","298","","298","","","","","","","","","5","P -1","-P 1","2","","3-(4-Chlorophenyl)-1,2-bis(isopropoxycarbonyl)- 2,3-dihydro-1H-pyrazole-4-carboxylic acid","","- C18 H21 Cl N2 O6 -","- C18 H21 Cl N2 O6 -","- C36 H42 Cl2 N4 O12 -","2","1","","Basavaiah, Deevi; Roy, Suparna","Dimethyl sulfide induced [3+2] annulation strategy: an efficient synthesis of functionalized dihydropyrazole derivatives using the Baylis-Hillman bromides.","Organic letters","2008","10","9","1819","1821","10.1021/ol800424v","","","0.71073","MoKα","","0.0548","0.0436","","","0.1149","0.1232","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504631","9.9179","0.0008","9.9305","0.0008","12.1617","0.001","104.407","0.001","91.457","0.001","116.62","0.001","1024.11","0.14","298","","298","","","","","","","","","5","P -1","-P 1","2","","3-(4-Bromophenyl)-1,2-bis(isopropoxycarbonyl)- 2,3-dihydro-1H-pyrazole-4-carboxylic acid","","- C18 H21 Br N2 O6 -","- C18 H21 Br N2 O6 -","- C36 H42 Br2 N4 O12 -","2","1","","Basavaiah, Deevi; Roy, Suparna","Dimethyl sulfide induced [3+2] annulation strategy: an efficient synthesis of functionalized dihydropyrazole derivatives using the Baylis-Hillman bromides.","Organic letters","2008","10","9","1819","1821","10.1021/ol800424v","","","0.71073","MoKα","","0.0747","0.0406","","","0.0971","0.111","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504632","8.1975","0.0002","16.851","0.0005","26.2443","0.0008","90","","90","","90","","3625.28","0.18","200","2","200","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C23 H16 Cl2 O -","- C23 H16 Cl2 O -","- C184 H128 Cl16 O8 -","8","1","","Lee, Gon-Ann; Chen, Ko Chou","The general synthesis and trapping of 3-substituted 1-chlorocyclopropenes.","Organic letters","2008","10","9","1843","1845","10.1021/ol8004479","","","0.71073","MoKα","","0.1614","0.0737","","","0.1713","0.2159","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504633","9.2887","0.0002","11.1807","0.0002","18.0546","0.0004","90","","90","","90","","1875.05","0.07","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 Cl O2 -","- C24 H19 Cl O2 -","- C96 H76 Cl4 O8 -","4","1","","Lee, Gon-Ann; Chen, Ko Chou","The general synthesis and trapping of 3-substituted 1-chlorocyclopropenes.","Organic letters","2008","10","9","1843","1845","10.1021/ol8004479","","","0.71073","MoKα","","0.0438","0.0368","","","0.0928","0.1012","","","","","","1.082","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504634","7.8384","0.0001","21.6104","0.0004","13.894","0.0003","90","","105.064","0.001","90","","2272.64","0.07","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H21 Cl O S -","- C29 H21 Cl O S -","- C116 H84 Cl4 O4 S4 -","4","1","","Lee, Gon-Ann; Chen, Ko Chou","The general synthesis and trapping of 3-substituted 1-chlorocyclopropenes.","Organic letters","2008","10","9","1843","1845","10.1021/ol8004479","","","0.71073","MoKα","","0.053","0.0432","","","0.1121","0.1192","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504635","8.2148","0.0007","13.1032","0.0012","16.4021","0.0018","90","","90","","90","","1765.5","0.3","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 Cl O2 -","- C23 H17 Cl O2 -","- C92 H68 Cl4 O8 -","4","1","","Lee, Gon-Ann; Chen, Ko Chou","The general synthesis and trapping of 3-substituted 1-chlorocyclopropenes.","Organic letters","2008","10","9","1843","1845","10.1021/ol8004479","","","0.71073","MoKα","","0.1838","0.0856","","","0.1806","0.2353","","","","","","1.05","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504636","13.2927","0.0003","13.2927","0.0003","7.3547","0.0002","90","","90","","90","","1299.55","0.05","113","2","113","2","","","","","","","","4","P 42/n :2","-P 4bc","86","none","OUR CODE NAME = 2c","","- C28 H12 Cl4 O8 -","- C28 H12 Cl4 O8 -","- C56 H24 Cl8 O16 -","2","0.25","","Tanaka, Koichi; Hayashi, Satoshi; Caira, Mino R.","Inclusion and gelation properties of novel tetra- and hexasalicylide derivatives.","Organic letters","2008","10","11","2119","2122","10.1021/ol8004485","","","0.71073","MoKα","","0.0471","0.0332","","","0.0831","0.0888","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504637","9.5721","0.0007","10.0848","0.0007","12.5819","0.0006","69.849","0.004","73.108","0.004","75.513","0.004","1075.69","0.12","213","2","213","2","","","","","","","","5","P -1","-P 1","2","none","OUR CODE NAME = 3a.(DMF)2","","- C24 H16 F3 N O7 -","- C24 H16 F3 N O7 -","- C48 H32 F6 N2 O14 -","2","1","","Tanaka, Koichi; Hayashi, Satoshi; Caira, Mino R.","Inclusion and gelation properties of novel tetra- and hexasalicylide derivatives.","Organic letters","2008","10","11","2119","2122","10.1021/ol8004485","","","0.71073","MoKα","","0.0564","0.0371","","","0.0885","0.0979","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504638","12.519","0.002","10.3339","0.0017","19.227","0.003","90","","94.307","0.009","90","","2480.4","0.7","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H28 I2 O6 -","- C22 H28 I2 O6 -","- C88 H112 I8 O24 -","4","2","","Zhang, Weidong; Baranczak, Aleksandra; Sulikowski, Gary A.","Stereocontrolled assembly of the C3/C3' dideoxy core of lomaiviticin A/B and congeners.","Organic letters","2008","10","10","1939","1941","10.1021/ol800460a","","","0.71073","MoKα","","0.0394","0.0334","","","0.0628","0.0649","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504639","11.8885","0.0011","10.2056","0.0009","25.796","0.002","90","","93.432","0.002","90","","3124.2","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H32 O -","- C42 H32 O -","- C168 H128 O4 -","4","1","","Lu, Jian-Mei; Shi, Min","LDA-mediated selective addition reaction of vinylidenecyclopropanes with aldehydes, ketones, and enones: facile synthesis of vinylcyclopropenes, allenols, and 1,3-enynes.","Organic letters","2008","10","10","1943","1946","10.1021/ol800463k","","","0.71073","MoKα","","0.0977","0.0495","","","0.1043","0.1191","","","","","","0.866","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504640","10.5143","0.0013","23.392","0.003","10.5182","0.0013","90","","106.571","0.002","90","","2479.5","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H28 O -","- C34 H28 O -","- C136 H112 O4 -","4","2","","Lu, Jian-Mei; Shi, Min","LDA-mediated selective addition reaction of vinylidenecyclopropanes with aldehydes, ketones, and enones: facile synthesis of vinylcyclopropenes, allenols, and 1,3-enynes.","Organic letters","2008","10","10","1943","1946","10.1021/ol800463k","","","0.71073","MoKα","","0.0944","0.0638","","","0.1534","0.1687","","","","","","0.954","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504641","20.512","0.0001","5.5194","0.0001","14.7817","0.0001","90","","108.377","0.001","90","","1588.15","0.03","223","2","223","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C17 H23 N O S -","- C17 H23 N O S -","- C68 H92 N4 O4 S4 -","4","1","","Maji, Modhu Sudan; Fröhlich, Roland; Studer, Armido","Desymmetrization of metallated cyclohexadienes with chiral N-tert-butanesulfinyl imines.","Organic letters","2008","10","9","1847","1850","10.1021/ol800478q","","","1.54178","CuKα","","0.0453","0.0421","","","0.1121","0.1164","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504642","5.4766","0.0001","11.8487","0.0001","26.9318","0.0001","90","","90","","90","","1747.62","0.04","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N O2 S -","- C18 H25 N O2 S -","- C72 H100 N4 O8 S4 -","4","1","","Maji, Modhu Sudan; Fröhlich, Roland; Studer, Armido","Desymmetrization of metallated cyclohexadienes with chiral N-tert-butanesulfinyl imines.","Organic letters","2008","10","9","1847","1850","10.1021/ol800478q","","","1.54178","CuKα","","0.0645","0.051","","","0.1103","0.1201","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504643","6.6973","0.0001","14.2845","0.0001","19.4795","0.0001","90","","90","","90","","1863.56","0.03","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 N O2 S -","- C18 H27 N O2 S -","- C72 H108 N4 O8 S4 -","4","1","","Maji, Modhu Sudan; Fröhlich, Roland; Studer, Armido","Desymmetrization of metallated cyclohexadienes with chiral N-tert-butanesulfinyl imines.","Organic letters","2008","10","9","1847","1850","10.1021/ol800478q","","","1.54178","CuKα","","0.0667","0.0491","","","0.099","0.1137","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504644","35.341","0.005","14.3173","0.0014","29.323","0.003","90","","120.923","0.003","90","","12728","3","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C108 H98 I4 N4 O8 -","- C108 H98 I4 N4 O8 -","- C432 H392 I16 N16 O32 -","4","0.5","","Shi, Yubai; Qian, Hualei; Li, Yan; Yue, Wan; Wang, Zhaohui","Copper-mediated domino process for the synthesis of tetraiodinated di(perylene bisimide).","Organic letters","2008","10","12","2337","2340","10.1021/ol800482y","","","0.7107","MoKα","","0.1139","0.0951","","","0.2257","0.2385","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504645","7.0187","0.0006","7.9272","0.0007","14.4217","0.0013","93.308","0.002","96.276","0.002","93.402","0.002","794.52","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","05350","","","- C17 H21 Br O3 -","- C17 H21 Br O3 -","- C34 H42 Br2 O6 -","2","1","","Ko, Changhong; Feltenberger, John B.; Ghosh, Sunil K.; Hsung, Richard P.","Gassman's intramolecular [2 + 2] cationic cycloaddition. formal total syntheses of raikovenal and epi-raikovenal.","Organic letters","2008","10","10","1971","1974","10.1021/ol8004968","","","0.71073","MoKα","","0.0629","0.0404","","","0.0839","0.0921","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504646","15.323","0.0018","12.4769","0.0015","11.8279","0.0014","90","","104.483","0.002","90","","2189.4","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Trans-9-chloro-5-ethyl-16,16-dimethyl-5,8,8a,15,15a,16-hexahydrobenzo [5',6']pyrrolizino [2',1':5,6]pyrido[2,3-c]carbazole","","- C28 H26 Cl N3 -","- C28 H26 Cl N3 -","- C112 H104 Cl4 N12 -","4","1","","Gaddam, Vikram; Nagarajan, Rajagopal","An Efficient, one-pot synthesis of isomeric ellipticine derivatives through intramolecular imino-Diels-Alder reaction","Organic Letters","2008","10","10","1975","1978","10.1021/ol800497u","","","0.71073","MoKα","","0.066","0.0535","","","0.1341","0.1423","","","","","","1.021","","","","has coordinates","218676","2020-10-21","18:00:00",""
"1504647","10.84","0.002","14.299","0.003","15.854","0.003","67.11","0.03","75.27","0.03","85.97","0.03","2188.3","0.9","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","cis-9-chloro-16,16-dimethyl-5,8,8a,15,15a,16-hexahydrobenzo [5',6']pyrrolizino [2',1':5,6]pyrido[2,3-c]carbazole","","- C26 H22 Cl N3 -","- C26 H22 Cl N3 -","- C104 H88 Cl4 N12 -","4","2","","Gaddam, Vikram; Nagarajan, Rajagopal","An Efficient, one-pot synthesis of isomeric ellipticine derivatives through intramolecular imino-Diels-Alder reaction","Organic Letters","2008","10","10","1975","1978","10.1021/ol800497u","","","0.71073","MoKα","","0.1674","0.0716","","","0.1394","0.1707","","","","","","0.899","","","","has coordinates","218676","2020-10-21","18:00:00",""
"1504648","25.18","0.007","6.0388","0.0017","30.338","0.009","90","","104.905","0.004","90","","4458","2","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","cis-5-ethyl-9,16,16-trimethyl-5,8,8a,15,15a,16-hexahydrobenzo [5',6']pyrrolizino [2',1':5,6]pyrido[2,3-c]carbazole","","- C29 H29 N3 -","- C29 H29 N3 -","- C232 H232 N24 -","8","1","","Gaddam, Vikram; Nagarajan, Rajagopal","An Efficient, one-pot synthesis of isomeric ellipticine derivatives through intramolecular imino-Diels-Alder reaction","Organic Letters","2008","10","10","1975","1978","10.1021/ol800497u","","","0.71073","MoKα","","0.2742","0.0969","","","0.1795","0.2275","","","","","","0.863","","","","has coordinates","218676","2020-10-21","18:00:00",""
"1504649","21.572","0.012","10.274","0.005","21.695","0.012","90","","100.722","0.009","90","","4724","4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","cis-9-chloro-5-ethyl-11,16,16-trimethyl-5,8,8a,15,15a,16-hexahydrobenzo[5',6'] pyrrolizino[2',1':5,6]pyrido[2,3-c]carbazole","","- C29 H28 Cl N3 -","- C29 H28 Cl N3 -","- C232 H224 Cl8 N24 -","8","1","","Gaddam, Vikram; Nagarajan, Rajagopal","An Efficient, one-pot synthesis of isomeric ellipticine derivatives through intramolecular imino-Diels-Alder reaction","Organic Letters","2008","10","10","1975","1978","10.1021/ol800497u","","","0.71073","MoKα","","0.1083","0.0793","","","0.1158","0.1264","","","","","","1.023","","","","has coordinates","218676","2020-10-21","18:00:00",""
"1504650","10.912","0.002","16.114","0.003","13.277","0.003","90","","98.575","0.004","90","","2308.5","0.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cis-9,11-dichloro-5-ethyl-16,16-dimethyl-5,8,8a,15,15a,16-hexahydrobenzo [5',6']pyrrolizino [2',1':5,6]pyrido[2,3-c]carbazole","","- C28 H25 Cl2 N3 -","- C28 H25 Cl2 N3 -","- C112 H100 Cl8 N12 -","4","1","","Gaddam, Vikram; Nagarajan, Rajagopal","An Efficient, one-pot synthesis of isomeric ellipticine derivatives through intramolecular imino-Diels-Alder reaction","Organic Letters","2008","10","10","1975","1978","10.1021/ol800497u","","","0.71073","MoKα","","0.0715","0.0478","","","0.1138","0.1242","","","","","","1.035","","","","has coordinates","218676","2020-10-21","18:00:00",""
"1504651","10.2548","0.0007","10.9487","0.0008","19.5877","0.0014","90","","103.838","0.001","90","","2135.4","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","cis-3-bromo-8-ethyl-13,13-dimethyl-4b,5,8,13,13a,14-hexahydrochromeno [3',4':5,6]pyrido[2,3-c]carbazole","","- C26 H25 Br N2 O -","- C26 H25 Br N2 O -","- C104 H100 Br4 N8 O4 -","4","1","","Gaddam, Vikram; Nagarajan, Rajagopal","An Efficient, one-pot synthesis of isomeric ellipticine derivatives through intramolecular imino-Diels-Alder reaction","Organic Letters","2008","10","10","1975","1978","10.1021/ol800497u","","","0.71073","MoKα","","0.0531","0.0405","","","0.1032","0.1094","","","","","","1.038","","","","has coordinates","218676","2020-10-21","18:00:00",""
"1504652","14.839","0.004","8.785","0.002","15.888","0.004","90","","91.424","0.004","90","","2070.5","0.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-3-bromo-8-ethyl-13,13-dimethyl-4b,5,8,13,13a,14-hexahydrochromeno [3',4':5,6] pyrido[2,3-c]carbazole","","- C26 H25 Br N2 O -","- C26 H25 Br N2 O -","- C104 H100 Br4 N8 O4 -","4","1","","Gaddam, Vikram; Nagarajan, Rajagopal","An Efficient, one-pot synthesis of isomeric ellipticine derivatives through intramolecular imino-Diels-Alder reaction","Organic Letters","2008","10","10","1975","1978","10.1021/ol800497u","","","0.71073","MoKα","","0.051","0.0396","","","0.1076","0.1136","","","","","","1.044","","","","has coordinates","218676","2020-10-21","18:00:00",""
"1504653","12.1868","0.0009","11.0925","0.0008","15.474","0.0011","90","","90.073","0.001","90","","2091.8","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","cis-8-ethyl-3,13,13-trimethyl-4b,5,8,13,13a,14-hexahydrochromeno [3',4':5,6]pyrido[2,3-c]carbazole","","- C27 H28 N2 O -","- C27 H28 N2 O -","- C108 H112 N8 O4 -","4","1","","Gaddam, Vikram; Nagarajan, Rajagopal","An Efficient, one-pot synthesis of isomeric ellipticine derivatives through intramolecular imino-Diels-Alder reaction","Organic Letters","2008","10","10","1975","1978","10.1021/ol800497u","","","0.71073","MoKα","","0.0508","0.0437","","","0.1113","0.116","","","","","","1.062","","","","has coordinates","218676","2020-10-21","18:00:00",""
"1504654","12.68","0.003","7.8737","0.0017","20.108","0.004","90","","103.194","0.004","90","","1954.6","0.7","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","cis-8-ethyl-3,13,13-trimethyl-2,3,4,4a,5,8,13,13a-octahydro-1H-indolo [3,2-a]acridine","","- C24 H30 N2 -","- C24 H30 N2 -","- C96 H120 N8 -","4","1","","Gaddam, Vikram; Nagarajan, Rajagopal","An Efficient, one-pot synthesis of isomeric ellipticine derivatives through intramolecular imino-Diels-Alder reaction","Organic Letters","2008","10","10","1975","1978","10.1021/ol800497u","","","0.71073","MoKα","","0.135","0.1004","","","0.2085","0.2258","","","","","","1.185","","","","has coordinates","218676","2020-10-21","18:00:00",""
"1504655","9.456","0.004","9.538","0.004","21.796","0.008","90","","94.887","0.006","90","","1958.7","1.4","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","trans-8-ethyl-3,13,13-trimethyl-2,3,4,4a,5,8,13,13a-octahydro-1H-indolo [3,2-a]acridine","","- C24 H30 N2 -","- C24 H30 N2 -","- C96 H120 N8 -","4","1","","Gaddam, Vikram; Nagarajan, Rajagopal","An Efficient, one-pot synthesis of isomeric ellipticine derivatives through intramolecular imino-Diels-Alder reaction","Organic Letters","2008","10","10","1975","1978","10.1021/ol800497u","","","0.71073","MoKα","","0.0995","0.0878","","","0.2138","0.2219","","","","","","1.149","","","","has coordinates","218676","2020-10-21","18:00:00",""
"1504656","7.9587","0.0008","11.5873","0.0013","40.157","0.004","90","","90","","90","","3703.3","0.7","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H59 Br O3 Si -","- C38 H59 Br O3 Si -","- C152 H236 Br4 O12 Si4 -","4","1","","Zhao, Yu-Jun; Loh, Teck-Peng","Asymmetric total synthesis of antiochic acid.","Organic letters","2008","10","11","2143","2145","10.1021/ol800499p","","","0.71073","MoKα","","0.0875","0.0679","","","0.1814","0.1968","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504657","7.8424","0.0004","14.4807","0.0007","17.6474","0.0009","90","","90","","90","","2004.1","0.17","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 Br O -","- C24 H27 Br O -","- C96 H108 Br4 O4 -","4","1","","Zhao, Yu-Jun; Loh, Teck-Peng","Asymmetric total synthesis of antiochic acid.","Organic letters","2008","10","11","2143","2145","10.1021/ol800499p","","","0.71073","MoKα","","0.0734","0.0449","","","0.098","0.1205","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504658","16.3771","0.0005","10.0395","0.0003","12.5498","0.0005","90","","90.917","0.002","90","","2063.15","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 Br O2 -","- C24 H29 Br O2 -","- C96 H116 Br4 O8 -","4","1","","Zhao, Yu-Jun; Loh, Teck-Peng","Asymmetric total synthesis of antiochic acid.","Organic letters","2008","10","11","2143","2145","10.1021/ol800499p","","","0.71073","MoKα","","0.1071","0.0587","","","0.1546","0.1824","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504659","7.5983","0.0003","28.0276","0.0011","10.0175","0.0004","90","","101.14","0.002","90","","2093.15","0.14","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 Br O2 -","- C24 H29 Br O2 -","- C96 H116 Br4 O8 -","4","1","","Zhao, Yu-Jun; Loh, Teck-Peng","Asymmetric total synthesis of antiochic acid.","Organic letters","2008","10","11","2143","2145","10.1021/ol800499p","","","0.71073","MoKα","","0.0823","0.054","","","0.1596","0.174","","","","","","1.102","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504660","7.6455","0.0013","10.2121","0.0017","22.5","0.004","90","","90","","90","","1756.7","0.5","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 N2 O4 -","- C21 H20 N2 O4 -","- C84 H80 N8 O16 -","4","1","","Ueda, Tohru; Inada, Mitsuhide; Okamoto, Iwao; Morita, Nobuyoshi; Tamura, Osamu","Synthesis of maremycins A and D1 via cycloaddition of a nitrone with (E)-3-ethylidene-1-methylindolin-2-one.","Organic letters","2008","10","10","2043","2046","10.1021/ol800515w","","","0.71073","MoKα","","0.0306","0.0295","","","0.0738","0.0747","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504661","12.0966","0.0014","11.5379","0.0013","23.623","0.003","90","","93.401","0.002","90","","3291.2","0.7","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H20 F6 N2 S2 -","- C39 H20 F6 N2 S2 -","- C156 H80 F24 N8 S8 -","4","1","","Yumoto, Koji; Irie, Masahiro; Matsuda, Kenji","Control of the photoreactivity of diarylethene derivatives by quaternarization of the pyridylethynyl group.","Organic letters","2008","10","10","2051","2054","10.1021/ol8005216","","","0.71073","MoKα","","0.1188","0.0833","","","0.2373","0.2629","","","","","","1.551","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504662","25.929","0.002","34.278","0.003","9.4606","0.0009","90","","90","","90","","8408.5","1.3","123","2","123","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C41 H26 F18 N2 P2 S2 -","- C41 H26 F18 N2 P2 S2 -","- C328 H208 F144 N16 P16 S16 -","8","0.5","","Yumoto, Koji; Irie, Masahiro; Matsuda, Kenji","Control of the photoreactivity of diarylethene derivatives by quaternarization of the pyridylethynyl group.","Organic letters","2008","10","10","2051","2054","10.1021/ol8005216","","","0.71073","MoKα","","0.0768","0.0555","","","0.0772","0.0791","","","","","","2.616","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504663","26.0526","0.0014","33.9275","0.0019","9.413","0.0005","90","","90","","90","","8320.1","0.8","123","","123","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C41 H34 F18 N2 P2 S2 -","- C41 H34 F18 N2 P2 S2 -","- C328 H272 F144 N16 P16 S16 -","8","0.5","","Yumoto, Koji; Irie, Masahiro; Matsuda, Kenji","Control of the photoreactivity of diarylethene derivatives by quaternarization of the pyridylethynyl group.","Organic letters","2008","10","10","2051","2054","10.1021/ol8005216","","","0.71073","MoKα","","0.0525","0.0473","","","0.1423","0.1485","","","","","","1.147","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504664","12.252","0.0019","14.376","0.002","16.502","0.003","90","","106.676","0.002","90","","2784.3","0.8","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 F3 N3 O4 S -","- C28 H36 F3 N3 O4 S -","- C112 H144 F12 N12 O16 S4 -","4","1","","Wu, Liangxing; Burgess, Kevin","Fluorescent amino- and thiopyronin dyes.","Organic letters","2008","10","9","1779","1782","10.1021/ol800526s","","","0.71073","MoKα","","0.1013","0.0864","","","0.2285","0.2543","","","","","","1.101","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504665","7.2909","0.0013","7.3802","0.0013","25.433","0.005","90","","90","","90","","1368.5","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","1","","Hong, Bor-Cherng; Nimje, Roshan Y.; Sadani, Amit A.; Liao, Ju-Hsiou","Organocatalytic enantioselective domino Michael-aldol condensation of 5-oxoalkanal and alpha,beta-unsaturated aldehydes. Efficient assembly of densely functionalized cyclohexenes.","Organic letters","2008","10","12","2345","2348","10.1021/ol8005369","","","0.71073","MoKα","","0.1056","0.0755","","","0.1348","0.1496","","","","","","1.134","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504666","7.974","0.003","13.082","0.005","17.527","0.006","90","","90","","90","","1828.3","1.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 O2 S -","- C22 H20 O2 S -","- C88 H80 O8 S4 -","4","1","","Arroyo, Yolanda; Meana, Angela; Sanz-Tejedor, M Ascensión; Ruano, José Luis García","Stereoselective alkylidenation of ketones with 2-(p-toluenesulfinyl)benzyl iodide: synthesis of enantiomerically pure trisubstituted epoxides.","Organic letters","2008","10","11","2151","2154","10.1021/ol8005387","","","0.71073","MoKα","","0.0327","0.0278","","","0.0661","0.069","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504667","9.2897","0.0013","11.0292","0.0016","20.409","0.003","90","","90","","90","","2091.1","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 O3 S -","- C25 H24 O3 S -","- C100 H96 O12 S4 -","4","1","","Arroyo, Yolanda; Meana, Angela; Sanz-Tejedor, M Ascensión; Ruano, José Luis García","Stereoselective alkylidenation of ketones with 2-(p-toluenesulfinyl)benzyl iodide: synthesis of enantiomerically pure trisubstituted epoxides.","Organic letters","2008","10","11","2151","2154","10.1021/ol8005387","","","0.71073","MoKα","","0.0611","0.0402","","","0.0806","0.0916","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504668","7.302","0.002","11.179","0.003","35.809","0.006","90","","90","","90","","2923.1","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","p-nitrobenzoyl ester","","","- C30 H39 N O8 -","- C30 H39 N O8 -","- C120 H156 N4 O32 -","4","1","","Corbu, Andrei; Aquino, Maurizio; Pratap, T. V.; Retailleau, Pascal; Arseniyadis, Siméon","Enantioselective synthesis of iridal, the parent molecule of the iridal triterpenoid class.","Organic letters","2008","10","9","1787","1790","10.1021/ol8005425","","","0.71069","MoKα","","0.0599","0.0406","","","0.0944","0.1057","","","","","","1.027","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504669","9.779","0.003","19.034","0.005","16.871","0.005","90","","102.501","0.001","90","","3065.8","1.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H30 B Bi F4 -","- C37 H30 B Bi F4 -","- C148 H120 B4 Bi4 F16 -","4","1","","Matano, Yoshihiro; Shinokura, Tomonori; Yoshikawa, Osamu; Imahori, Hiroshi","Triaryl(1-pyrenyl)bismuthonium salts: efficient photoinitiators for cationic polymerization of oxiranes and a vinyl ether.","Organic letters","2008","10","11","2167","2170","10.1021/ol8005453","","","0.7107","MoKα","","0.0613","0.0545","","","0.0985","0.1021","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504670","9.309","0.003","12.507","0.004","14.931","0.005","80.043","0.012","80.653","0.013","73.665","0.012","1631.1","0.9","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H30 Bi F6 Sb -","- C37 H30 Bi F6 Sb -","- C74 H60 Bi2 F12 Sb2 -","2","1","","Matano, Yoshihiro; Shinokura, Tomonori; Yoshikawa, Osamu; Imahori, Hiroshi","Triaryl(1-pyrenyl)bismuthonium salts: efficient photoinitiators for cationic polymerization of oxiranes and a vinyl ether.","Organic letters","2008","10","11","2167","2170","10.1021/ol8005453","","","0.7107","MoKα","","0.0488","0.0408","","","0.0703","0.0743","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504671","7.806","0.001","11.454","0.002","14.543","0.003","90","","94.36","0.02","90","","1296.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-{2-[(dimethylamino)carbonyl]-3-oxobutyl}-1H-1-pyrazolecarboxamide","","- C11 H16 N4 O3 -","- C11 H16 N4 O3 -","- C44 H64 N16 O12 -","4","1","","Attanasi, Orazio A.; Favi, Gianfranco; Filippone, Paolino; Giorgi, Gianluca; Mantellini, Fabio; Moscatelli, Giada; Spinelli, Domenico","Flexible protocol for the chemo- and regioselective building of pyrroles and pyrazoles by reactions of Danishefsky's dienes with 1,2-diaza-1,3-butadienes.","Organic letters","2008","10","10","1983","1986","10.1021/ol800557h","","","0.71073","MoKα","","0.0587","0.0461","","","0.121","0.1322","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504672","6.5252","0.0003","11.736","0.0005","26.8237","0.0012","90","","90","","90","","2054.15","0.16","160","1","160","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H34 O5 -","- C21 H34 O5 -","- C84 H136 O20 -","4","1","","Palomo, Claudio; Oiarbide, Mikel; García, Jesús M; Bañuelos, Patricia; Odriozola, José M; Razkin, Jesús; Linden, Anthony","Catalytic Michael reactions of ketoesters with a camphor-derived acrylate equivalent: stereoselective access to all-carbon quaternary centers.","Organic letters","2008","10","13","2637","2640","10.1021/ol800564d","","","0.71073","MoKα","","0.0917","0.0535","","","0.0991","0.1159","","","","","","1.135","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1504673","11.9202","0.0005","11.9202","0.0005","16.0328","0.0008","90","","90","","90","","2278.12","0.18","160","1","160","1","","","","","","","","3","P 41","P 4w","76","","","","- C24 H38 O5 -","- C24 H38 O5 -","- C96 H152 O20 -","4","1","","Palomo, Claudio; Oiarbide, Mikel; García, Jesús M; Bañuelos, Patricia; Odriozola, José M; Razkin, Jesús; Linden, Anthony","Catalytic Michael reactions of ketoesters with a camphor-derived acrylate equivalent: stereoselective access to all-carbon quaternary centers.","Organic letters","2008","10","13","2637","2640","10.1021/ol800564d","","","0.71073","MoKα","","0.0565","0.0412","","","0.0926","0.1011","","","","","","1.084","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1504674","7.5429","0.0017","12.175","0.003","18.83","0.004","90","","98.485","0.003","90","","1710.3","0.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H35 N3 O11 S -","- C33 H35 N3 O11 S -","- C66 H70 N6 O22 S2 -","2","1","","Deng, Haibing; Yang, Xiaobao; Tong, Zhaolong; Li, Zhong; Zhai, Hongbin","Expedient synthesis of the tetracyclic core of ent-nakadomarin A.","Organic letters","2008","10","9","1791","1793","10.1021/ol800579j","","","0.71073","MoKα","","0.072","0.0464","","","0.0853","0.0985","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504675","7.3722","0.0006","7.9609","0.001","13.2604","0.0012","101.447","0.009","91.357","0.007","114.541","0.007","688.93","0.13","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H5 F5 -","- C18 H5 F5 -","- C36 H10 F10 -","2","1","","Kendall, Jamie; McDonald, Robert; Ferguson, Michael J.; Tykwinski, Rik R.","Synthesis and solid-state structure of perfluorophenyl end-capped polyynes.","Organic letters","2008","10","11","2163","2166","10.1021/ol800583r","","","0.71073","MoKα","","0.0754","0.0453","","","0.1089","0.1266","","","","","","1.018","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504676","7.3896","0.0012","7.9448","0.0013","14.452","0.002","91.906","0.003","94.375","0.003","114.39","0.002","768.5","0.2","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H5 F5 -","- C20 H5 F5 -","- C40 H10 F10 -","2","1","","Kendall, Jamie; McDonald, Robert; Ferguson, Michael J.; Tykwinski, Rik R.","Synthesis and solid-state structure of perfluorophenyl end-capped polyynes.","Organic letters","2008","10","11","2163","2166","10.1021/ol800583r","","","0.71073","MoKα","","0.1182","0.071","","","0.1701","0.2125","","","","","","1.053","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504677","7.3625","0.001","7.8987","0.0011","14.684","0.002","82.017","0.002","80.119","0.002","65.267","0.002","761.95","0.18","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H10 F10 -","- C40 H10 F10 -","- C40 H10 F10 -","1","0.5","","Kendall, Jamie; McDonald, Robert; Ferguson, Michael J.; Tykwinski, Rik R.","Synthesis and solid-state structure of perfluorophenyl end-capped polyynes.","Organic letters","2008","10","11","2163","2166","10.1021/ol800583r","","","0.71073","MoKα","","0.0756","0.0413","","","0.1058","0.1386","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504678","9.995","0.002","22.542","0.005","26.464","0.005","90","","90","","90","","5963","2","143","2","143","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C80 H44 Cl N O12 S4 -","- C80 H44 Cl N O12 S4 -","- C320 H176 Cl4 N4 O48 S16 -","4","1","","Yao, Jiayao; Xiao, Zuo; Gan, Liangbing; Yang, Dazhi; Wang, Zheming","Towards the rational synthesis of norfullerenes. controlled deletion of one carbon atom from C60 and preparation of 2,5,9-trioxo-1-nor(C60-Ih)[5,6]fullerene C59(O)3 derivatives.","Organic letters","2008","10","10","2003","2006","10.1021/ol800611r","","","0.71073","MoKα","","0.1499","0.0791","","","0.1565","0.1795","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504679","11.1139","0.0001","19.6406","0.0003","25.1105","0.0005","90","","115.478","0.001","90","","4948.17","0.14","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C77.5 H30 Br2 O7 -","- C77.5 H30 Br2 O7 -","- C310 H120 Br8 O28 -","4","1","","Yao, Jiayao; Xiao, Zuo; Gan, Liangbing; Yang, Dazhi; Wang, Zheming","Towards the rational synthesis of norfullerenes. controlled deletion of one carbon atom from C60 and preparation of 2,5,9-trioxo-1-nor(C60-Ih)[5,6]fullerene C59(O)3 derivatives.","Organic letters","2008","10","10","2003","2006","10.1021/ol800611r","","","0.71073","MoKα","","0.0738","0.0397","","","0.0983","0.1068","","","","","","0.988","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"1504680","13.6485","0.0002","19.0886","0.0003","20.2523","0.0003","93.8951","0.0005","103.887","0.0006","109.06","0.0005","4779.38","0.13","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C69.5 H20.5 Cl3 O7.25 S3 -","- C69.5 H20 Cl3 O7.25 S3 -","- C278 H80 Cl12 O29 S12 -","4","2","","Yao, Jiayao; Xiao, Zuo; Gan, Liangbing; Yang, Dazhi; Wang, Zheming","Towards the rational synthesis of norfullerenes. controlled deletion of one carbon atom from C60 and preparation of 2,5,9-trioxo-1-nor(C60-Ih)[5,6]fullerene C59(O)3 derivatives.","Organic letters","2008","10","10","2003","2006","10.1021/ol800611r","","","0.71073","MoKα","","0.115","0.0609","","","0.1652","0.1842","","","","","","1.033","","","","has coordinates","198633","2020-10-21","18:00:00",""
"1504681","15.411","0.002","9.2623","0.0012","9.2302","0.0013","90","","99.927","0.003","90","","1297.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","dihexyl-9,10-anthracenedicarboxamide","","","- C28 H36 N2 O2 -","- C28 H36 N2 O2 -","- C56 H72 N4 O4 -","2","0.5","","Liang, Zhixiong; Zhao, Wei; Wang, Shenglong; Tang, Qin; Lam, Sheung-Chuen; Miao, Qian","Unexpected photooxidation of H-bonded tetracene.","Organic letters","2008","10","10","2007","2010","10.1021/ol800620s","","","0.71073","MoKα","","0.1177","0.0693","","","0.1783","0.2225","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504682","11.323","0.004","11.942","0.004","20.512","0.007","91.128","0.005","101.002","0.005","114.6","0.005","2460.2","1.5","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C84 H116 F24 N10 O6 P4 S2 Si2 -","- C84 H116 F24 N10 O6 P4 S2 Si2 -","- C84 H116 F24 N10 O6 P4 S2 Si2 -","1","0.5","","Ikeda, Taichi; Higuchi, Masayoshi; Sato, Akira; Kurth, Dirk G.","Thiophene donor-acceptor [2]rotaxanes.","Organic letters","2008","10","11","2215","2218","10.1021/ol800624c","","","0.71073","MoKα","","0.1057","0.065","","","0.1648","0.1925","","","","","","1.045","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504683","14.643","0.006","15.655","0.006","6.819","0.004","90","","102.06","0.03","90","","1528.7","1.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 O5 -","- C16 H24 O5 -","- C64 H96 O20 -","4","1","","Elkhayat, Zobida; Safir, Imad; Castellote, Isabel; Retailleau, Pascal; Arseniyadis, Siméon","Microwave-accelerated competing domino processes: a tether-controlled dual pathway into high molecular complexity.","Organic letters","2008","10","11","2219","2222","10.1021/ol800639b","","","0.71069","MoKα","","0.1277","0.0757","","","0.1667","0.1938","","","","","","1.127","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504684","11.323","0.002","31.15","0.006","13.86","0.003","90","","96.603","0.003","90","","4856.2","1.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Br2 O -","- C18 H14 Br2 O -","- C216 H168 Br24 O12 -","12","3","","Jiang, Min; Shi, Min","Aluminum chloride-mediated acylation of methylenecyclobutanes. A facile synthetic protocol for the construction of substituted cyclopentenes.","Organic letters","2008","10","11","2239","2242","10.1021/ol8006502","","","0.71073","MoKα","","0.2725","0.0413","","","0.0613","0.0893","","","","","","0.855","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504685","3.9869","0.0007","13.271","0.002","18.118","0.003","90","","91.368","0.003","90","","958.4","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 Cl N O3 -","- C9 H8 Cl N O3 -","- C36 H32 Cl4 N4 O12 -","4","1","","Ram, Ram N.; Manoj, T. P.","1,2-H shift in copper-chlorocarbenoid intermediate during CuCl/bpy-promoted stereoselective dechlorination of 2,2,2-trichloroethyl alkyl ethers to (Z)-1-alkoxy-2-chloroethenes.","Organic letters","2008","10","11","2243","2246","10.1021/ol8006524","","","0.71073","MoKα","","0.0707","0.06","","","0.1297","0.1357","","","","","","1.101","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1504686","9.5369","0.0003","10.9797","0.0004","19.7388","0.0006","90","","90","","90","","2066.9","0.12","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 N2 O7 -","- C18 H28 N2 O7 -","- C72 H112 N8 O28 -","4","1","","Sohtome, Yoshihiro; Kato, Yuko; Handa, Shinya; Aoyama, Naohiro; Nagawa, Keita; Matsunaga, Shigeki; Shibasaki, Masakatsu","Stereodivergent catalytic doubly diastereoselective nitroaldol reactions using heterobimetallic complexes.","Organic letters","2008","10","11","2231","2234","10.1021/ol800653d","","","1.54187","CuKα","","","0.0609","","","","0.1913","","","","","","0.521","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504687","24.6936","0.0011","6.3812","0.0003","10.2586","0.0004","90","","90","","90","","1616.5","0.12","120","2","120","2","","","","","","","","3","P c c a","-P 2a 2ac","54","","","","- C17 H28 O4 -","- C17 H28 O4 -","- C68 H112 O16 -","4","0.5","","Ghorai, Prasanta; Dussault, Patrick H.; Hu, Chunhua","Synthesis of spiro-bisperoxyketals.","Organic letters","2008","10","12","2401","2404","10.1021/ol800657m","","","0.71073","MoKα","","0.0405","0.0388","","","0.1062","0.1083","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504688","17.748","0.008","9.612","0.004","14.601","0.006","90","","91.792","0.005","90","","2489.6","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 N O4 -","- C30 H27 N O4 -","- C120 H108 N4 O16 -","4","1","","Gao, Ke; Wu, Jie","Sc(OTf)3-catalyzed or t-BuOK promoted tandem reaction of 2-(2-(alkynyl)benzylidene)malonate with indole.","Organic letters","2008","10","11","2251","2254","10.1021/ol800664z","","","0.71073","MoKα","","0.0627","0.0434","","","0.1093","0.119","","","","","","0.941","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504689","9.111","0.002","10.465","0.0015","15.377","0.004","95.954","0.007","101.137","0.011","94.765","0.008","1422.8","0.5","120","2","120","2","","","","","","","","3","P -1","-P 1","2","dimer","1,4-Bis[2-phenyl-1-(2,4,6-tri-tert-butylphenyl)benzophosphole-3-yl]benzene","","- C35 H40 P -","- C35 H40 P -","- C70 H80 P2 -","2","1","","Tsuji, Hayato; Sato, Kosuke; Ilies, Laurean; Itoh, Yoshimitsu; Sato, Yoshiharu; Nakamura, Eiichi","Modular synthesis of benzo[b]phosphole derivatives via BuLi-mediated cyclization of (o-alkynylphenyl)phosphine.","Organic letters","2008","10","11","2263","2265","10.1021/ol800684x","","","0.7107","MoKα","","0.0649","0.0563","","","0.1544","0.1616","","","","","","1.141","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504690","8.2367","0.0002","13.9546","0.0004","8.6506","0.0002","90","","107.225","0.002","90","","949.7","0.04","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H22 Br N O6 -","- C18 H22 Br N O6 -","- C36 H44 Br2 N2 O12 -","2","1","","Tan, Bin; Chua, Pei Juan; Li, Yongxin; Zhong, Guofu","Organocatalytic asymmetric tandem Michael-Henry reactions: a highly stereoselective synthesis of multifunctionalized cyclohexanes with two quaternary stereocenters.","Organic letters","2008","10","12","2437","2440","10.1021/ol8007183","","","0.71073","MoKα","","0.0388","0.0283","","","0.0608","0.0642","","","","","","0.825","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504691","14.4","0.003","7.7917","0.0016","13.79","0.003","90","","98.05","0.03","90","","1532","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C72 H76 N4 O12 -","4","1","","Yang, Luo; Zheng, Qi-Yu; Wang, De-Xian; Huang, Zhi-Tang; Wang, Mei-Xiang","Reversal of nucleophilicity of enamides in water: control of cyclization pathways by reaction media for the orthogonal synthesis of dihydropyridinone and pyrrolidinone Clausena alkaloids.","Organic letters","2008","10","12","2461","2464","10.1021/ol800740h","","","0.71073","MoKα","","0.085","0.0636","","","0.1641","0.1749","","","","","","1.085","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504692","13.032","0.003","12.82","0.003","8.8913","0.0018","90","","95.3","0.03","90","","1479.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C72 H68 N4 O8 -","4","1","","Yang, Luo; Zheng, Qi-Yu; Wang, De-Xian; Huang, Zhi-Tang; Wang, Mei-Xiang","Reversal of nucleophilicity of enamides in water: control of cyclization pathways by reaction media for the orthogonal synthesis of dihydropyridinone and pyrrolidinone Clausena alkaloids.","Organic letters","2008","10","12","2461","2464","10.1021/ol800740h","","","0.71073","MoKα","","0.1156","0.0896","","","0.1842","0.1967","","","","","","1.196","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504693","15.922","0.003","6.8246","0.0014","13.777","0.003","90","","91.32","0.03","90","","1496.6","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C72 H76 N4 O12 -","4","1","","Yang, Luo; Zheng, Qi-Yu; Wang, De-Xian; Huang, Zhi-Tang; Wang, Mei-Xiang","Reversal of nucleophilicity of enamides in water: control of cyclization pathways by reaction media for the orthogonal synthesis of dihydropyridinone and pyrrolidinone Clausena alkaloids.","Organic letters","2008","10","12","2461","2464","10.1021/ol800740h","","","0.71073","MoKα","","0.0775","0.0592","","","0.1215","0.1285","","","","","","1.174","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504694","11.1771","0.0004","14.9463","0.0005","11.0961","0.0006","90","","122.578","0.001","90","","1562.01","0.12","274.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C15 H17 N O4 S -","- C15 H17 N O4 S -","- C60 H68 N4 O16 S4 -","4","1","","Minami, Yasunori; Kuniyasu, Hitoshi; Kambe, Nobuaki","One-pot syntheses of 2,3-dihydrothiopyran-4-one derivatives by Pd/Cu-catalyzed reactions of alpha,beta-unsaturated thioesters with propargyl alcohols.","Organic letters","2008","10","12","2469","2472","10.1021/ol800754w","","","0.7107","MoKα","","","0.0744","","","","0.1844","","","","","","2.843","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504695","14.01","0.004","6.504","0.002","14.749","0.005","90","","99.9391","0.0017","90","","1323.8","0.7","173.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H28 Br O3 S2 -","- C29.5 H21 Br O3 S2 -","- C59 H42 Br2 O6 S4 -","2","1","","Nakamura, Itaru; Sato, Takuma; Terada, Masahiro; Yamamoto, Yoshinori","Chirality transfer in gold-catalyzed carbothiolation of o-alkynylphenyl 1-arylethyl sulfides.","Organic letters","2008","10","13","2649","2651","10.1021/ol8007556","","","0.7107","MoKα","","","0.0417","","","","0.1206","","","","","","0.903","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504696","11.6237","0.0007","13.4355","0.0008","15.9209","0.001","90","","90","","90","","2486.4","0.3","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C39 H60 Cl6 F2 N10 O6 -","- C39 H60 Cl6 F2 N10 O6 -","- C78 H120 Cl12 F4 N20 O12 -","2","0.5","","Kang, Sung Ok; Day, Victor W.; Bowman-James, Kristin","Cyclophane capsule motifs with side pockets.","Organic letters","2008","10","13","2677","2680","10.1021/ol800762j","","","0.71073","MoKα","","0.0815","0.075","","","0.1927","0.1981","","","","","","1.033","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504697","8.964","0.002","12.075","0.003","13.217","0.003","82.783","0.006","82.931","0.006","89.051","0.006","1408.5","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H80 N12 O30 P4 -","- C40 H80 N12 O30 P4 -","- C40 H80 N12 O30 P4 -","1","0.5","","Kang, Sung Ok; Day, Victor W.; Bowman-James, Kristin","Cyclophane capsule motifs with side pockets.","Organic letters","2008","10","13","2677","2680","10.1021/ol800762j","","","0.71073","MoKα","","0.1011","0.074","","","0.1654","0.1752","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504698","13.6282","0.0012","14.588","0.0013","15.1531","0.0013","90","","105.289","0.002","90","","2905.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H82.34 N12 O32 P4.34 -","- C40 H81.948 N12 O32 P4.342 -","- C80 H163.896 N24 O64 P8.684 -","2","0.5","","Kang, Sung Ok; Day, Victor W.; Bowman-James, Kristin","Cyclophane capsule motifs with side pockets.","Organic letters","2008","10","13","2677","2680","10.1021/ol800762j","","","0.71073","MoKα","","0.083","0.068","","","0.2154","0.2255","","","","","","1.086","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504699","9.0253","0.0006","12.043","0.0008","27.4998","0.0019","90","","99.301","0.002","90","","2949.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H74 N12 O32 P6 -","- C40 H73.56 N12 O32 P6 -","- C80 H147.12 N24 O64 P12 -","2","0.5","","Kang, Sung Ok; Day, Victor W.; Bowman-James, Kristin","Cyclophane capsule motifs with side pockets.","Organic letters","2008","10","13","2677","2680","10.1021/ol800762j","","","0.71073","MoKα","","0.0931","0.061","","","0.1666","0.1784","","","","","","0.975","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504700","19.8342","0.0009","12.1501","0.0006","19.4378","0.0009","90","","90.566","0.001","90","","4684","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H51 N7 O20 -","- C49 H50.384 N7 O20 -","- C196 H201.536 N28 O80 -","4","1","","Kang, Sung Ok; Day, Victor W.; Bowman-James, Kristin","Cyclophane capsule motifs with side pockets.","Organic letters","2008","10","13","2677","2680","10.1021/ol800762j","","","0.71073","MoKα","","0.0815","0.0616","","","0.1549","0.1654","","","","","","1.045","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504701","6.1184","0.0013","27.326","0.006","7.1032","0.0015","90","","111.621","0.003","90","","1104","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H13 N O2 S2 -","- C8 H13 N O2 S2 -","- C32 H52 N4 O8 S8 -","4","1","","Tan, Jing; Liang, Fushun; Wang, Yeming; Cheng, Xin; Liu, Qun; Yuan, Hongjuan","Carbon tetrabromide-mediated carbon-sulfur bond formation via a sulfenyl bromide intermediate","Organic Letters","2008","10","12","2485","2488","10.1021/ol800765s","","","0.71073","MoKα","","0.0528","0.0428","","","0.1148","0.1213","","","","","","1.041","","","","has coordinates","218612","2020-10-21","18:00:00",""
"1504702","31.1124","0.0006","17.8789","0.0003","14.6484","0.0003","90","","108.937","0.0008","90","","7707.2","0.3","93.1","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C39 H55 O9.5 -","- C39 H47 O9.5 -","- C312 H376 O76 -","8","1","","Abe, Hajime; Horii, Asuka; Matsumoto, Shinya; Shiro, Motoo; Inouye, Masahiko","D3h-symmetrical hydrogen-bonding unit as a saccharide recognition and self-assembling module.","Organic letters","2008","10","13","2685","2688","10.1021/ol800783a","","","1.54187","CuKα","","","0.1141","","","","0.3881","","","","","","1.282","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504703","7.9458","0.0006","9.34","0.0007","12.556","0.0012","90","","90","","90","","931.83","0.13","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 O2 -","- C12 H12 O2 -","- C48 H48 O8 -","4","1","","Birbaum, Frédéric; Neels, Antonia; Bochet, Christian G.","Photochemistry of allenyl salicylaldehydes.","Organic letters","2008","10","15","3175","3178","10.1021/ol800806a","","","0.71073","MoKα","","0.0388","0.0368","","","0.0978","0.0991","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504704","14.004","0.003","6.9416","0.0008","18.083","0.004","90","","110.82","0.02","90","","1643.1","0.6","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C76 H104 O8 -","4","1","","Birbaum, Frédéric; Neels, Antonia; Bochet, Christian G.","Photochemistry of allenyl salicylaldehydes.","Organic letters","2008","10","15","3175","3178","10.1021/ol800806a","","","0.71073","MoKα","","0.0615","0.0382","","","0.0919","0.0981","","","","","","0.985","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504705","6.752","0.003","10.198","0.005","17.425","0.009","90","","90","","90","","1199.8","1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 O2 -","- C11 H20 O2 -","- C44 H80 O8 -","4","1","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.","Highly sterically hindered olefins: a case of E- and Z-di-tert-butyl alpha,beta-unsaturated acids.","Organic letters","2008","10","11","2303","2305","10.1021/ol800808g","","","0.71073","MoKα","","0.102","0.0757","","","0.2035","0.2287","","","","","","1.046","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504706","7.166","0.003","18.83","0.009","8.506","0.004","90","","99.818","0.009","90","","1131","0.9","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H20 O2 -","- C11 H20 O2 -","- C44 H80 O8 -","4","1","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.","Highly sterically hindered olefins: a case of E- and Z-di-tert-butyl alpha,beta-unsaturated acids.","Organic letters","2008","10","11","2303","2305","10.1021/ol800808g","","","0.71073","MoKα","","0.0967","0.055","","","0.1199","0.1418","","","","","","1.03","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504707","10.822","0.001","23.126","0.003","11.615","0.001","90","","104.45","0.01","90","","2814.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,2,3-terphenylbenzene","1-(4'-methylphenyl)-2,3-bis(4""-methoxyphenyl)-5-piperidin-1-yl) -benzene-4-carbonitrile","","- C33 H32 N2 O2 -","- C33 H32 N2 O2 -","- C132 H128 N8 O8 -","4","1","","Goel, Atul; Dixit, Manish; Chaurasia, Sumit; Kumar, Amit; Raghunandan, Resmi; Maulik, P. R.; Anand, R. S.","Vapor-phase processable novel nonplanar donor-acceptor quateraryls for blue OLEDs(#).","Organic letters","2008","10","12","2553","2556","10.1021/ol8008182","","","0.71073","MoKα","","0.1488","0.0685","","","0.1717","0.2107","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504708","10.3243","0.0004","12.2628","0.0005","12.8923","0.0005","78.583","0.001","81.942","0.001","88.404","0.001","1584.13","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H40 Cl2 N2 O Ru -","- C35 H40 Cl2 N2 O Ru -","- C70 H80 Cl4 N4 O2 Ru2 -","2","1","","Chung, Cheol K.; Grubbs, Robert H.","Olefin metathesis catalyst: stabilization effect of backbone substitutions of N-heterocyclic carbene.","Organic letters","2008","10","13","2693","2696","10.1021/ol800824h","","","0.71073","MoKα","","0.0759","0.0445","","","0.0769","0.0829","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504709","9.5479","0.0003","15.7574","0.0005","18.9019","0.0006","90","","97.127","0.001","90","","2821.82","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 Cl2 N2 O Ru -","- C30 H36 Cl2 N2 O Ru -","- C120 H144 Cl8 N8 O4 Ru4 -","4","1","","Chung, Cheol K.; Grubbs, Robert H.","Olefin metathesis catalyst: stabilization effect of backbone substitutions of N-heterocyclic carbene.","Organic letters","2008","10","13","2693","2696","10.1021/ol800824h","","","0.71073","MoKα","","0.0504","0.0308","","","0.051","0.052","","","","","","1.69","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504710","27.601","0.006","15.053","0.003","9.1793","0.0018","90","","90","","90","","3813.8","1.4","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C28 H28 N9.33 -","- C28 H28 N9.33333 -","- C168 H168 N56 -","6","0.75","","Zhang, En-Xuan; Wang, De-Xian; Zheng, Qi-Yu; Wang, Mei-Xiang","Synthesis of large macrocyclic azacalix[n]pyridines (n = 6 - 9) and their complexation with fullerenes C(60) and C(70).","Organic letters","2008","10","12","2565","2568","10.1021/ol800840m","","","0.71073","MoKα","","0.1327","0.0761","","","0.2093","0.2369","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504711","12.273","0.004","13.405","0.005","14.376","0.005","106.891","0.004","96.65","0.004","95.93","0.004","2224.4","1.3","113.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H42 Cl6 O2 P2 -","- C44 H42 Cl6 O2 P2 -","- C88 H84 Cl12 O4 P4 -","2","1","","Sanji, Takanobu; Shiraishi, Kentaro; Kashiwabara, Taigo; Tanaka, Masato","Base-mediated cyclization reaction of 2-alkynylphenylphosphine oxides: synthesis and photophysical properties of benzo[b]phosphole oxides.","Organic letters","2008","10","13","2689","2692","10.1021/ol800841v","","","0.7107","MoKα","","","0.0941","","","","0.1492","","","","","","0.929","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504712","9.7437","0.0006","9.9574","0.0005","17.4514","0.0012","90","","90","","90","","1693.17","0.18","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O5 -","- C17 H21 N O5 -","- C68 H84 N4 O20 -","4","1","","Shaabani, Ahmad; Soleimani, Ebrahim; Rezayan, Ali Hossein; Sarvary, Afshin; Khavasi, Hamid Reza","Novel isocyanide-based four-component reaction: a facile synthesis of fully substituted 3,4-dihydrocoumarin derivatives.","Organic letters","2008","10","12","2581","2584","10.1021/ol800856e","","","0.71073","MoKα","","0.0696","0.0572","","","0.1101","0.1145","","","","","","1.232","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504713","9.5409","0.0014","11.5565","0.0017","12.0312","0.0017","64.324","0.002","81.666","0.002","81.311","0.002","1177.1","0.3","100","","","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H26 N2 O4 S -","- C27 H26 N2 O4 S -","- C54 H52 N4 O8 S2 -","2","1","","Chung, John Y. L.; Mancheno, Danny; Dormer, Peter G.; Variankaval, Narayan; Ball, Richard G.; Tsou, Nancy N.","Diastereoselective Friedel-Crafts alkylation of indoles with chiral alpha-phenyl benzylic cations. Asymmetric synthesis of anti-1,1,2-triarylalkanes.","Organic letters","2008","10","14","3037","3040","10.1021/ol800858c","","","0.71073","MoKα","","","0.038","","","0.099","0.106","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504714","6.883","0.0008","23.231","0.003","9.5793","0.0013","90","","112.639","0.003","90","","1413.7","0.3","296.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 -","- C17 H14 N2 -","- C68 H56 N8 -","4","1","","Ohashi, Maki; Nakatani, Keisuke; Maeda, Hajime; Mizuno, Kazuhiko","Photochemical monoalkylation of propanedinitrile by electron-rich alkenes.","Organic letters","2008","10","13","2741","2743","10.1021/ol800862x","","","0.71075","MoKα","","","0.0672","","","","0.0857","","","","","","1.18","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504715","6.305","0.003","26.491","0.018","6.608","0.004","90","","99.89","0.03","90","","1087.3","1.1","296.1","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 N4 -","- C22 H30 N4 -","- C44 H60 N8 -","2","0.5","","Ohashi, Maki; Nakatani, Keisuke; Maeda, Hajime; Mizuno, Kazuhiko","Photochemical monoalkylation of propanedinitrile by electron-rich alkenes.","Organic letters","2008","10","13","2741","2743","10.1021/ol800862x","","","0.71075","MoKα","","","0.0902","","","","0.1138","","","","","","1.063","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504716","4.833","0.001","5.948","0.0012","14.956","0.003","86.41","0.03","86.07","0.03","77.26","0.03","417.87","0.16","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H4 F3 N O -","- C10 H4 F3 N O -","- C20 H8 F6 N2 O2 -","2","1","","Di, Chong-an; Li, Jing; Yu, Gui; Xiao, Yi; Guo, Yunlong; Liu, Yunqi; Qian, Xuhong; Zhu, Daoben","Trifluoromethyltriphenodioxazine: air-stable and high-performance n-type semiconductor.","Organic letters","2008","10","14","3025","3028","10.1021/ol8008667","","","0.71073","MoKα","","0.1724","0.0691","","","0.1809","0.2427","","","","","","1.001","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504717","6.8324","0.0004","22.8044","0.0015","23.4492","0.0014","90","","90","","90","","3653.6","0.4","150","","150","","","","","","","","Mairi Rudkin MRA143A","4","P b c a","-P 2ac 2ab","61","","","","- C22 H27 N O2 -","- C22 H27 N O2 -","- C176 H216 N8 O16 -","8","1","","Rudkin, Mairi E.; Joensuu, Pekka M.; MacLachlan, William S.; Lam, Hon Wai","Diastereoselective cobalt-catalyzed alkylative aldol cyclizations using trialkylaluminum reagents.","Organic letters","2008","10","14","2939","2942","10.1021/ol800883b","","","0.71073","MoKα","","0.071","0.0403","","0.1001","0.0876","0.1001","","","","","","0.9843","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504718","12.039","0.002","22.635","0.004","14.321","0.003","90","","93.33","0.012","90","","3895.9","1.2","150","","150","","","","","","","","MRA177A","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 N O2 -","- C23 H29 N O2 -","- C184 H232 N8 O16 -","8","2","","Rudkin, Mairi E.; Joensuu, Pekka M.; MacLachlan, William S.; Lam, Hon Wai","Diastereoselective cobalt-catalyzed alkylative aldol cyclizations using trialkylaluminum reagents.","Organic letters","2008","10","14","2939","2942","10.1021/ol800883b","","","0.71073","MoKα","","0.1829","0.0634","","0.1138","0.0671","0.0671","","","","","","1.0522","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504719","31.0746","0.0011","16.9744","0.0006","28.0904","0.001","90","","97.968","0.001","90","","14673.9","0.9","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[K(H2O)2(CB6')2*2TFAH](TFA)*~4TFAH*~13H2O","[K(H2O)2(CB6')2*2TFAH](TFA)*~4TFAH*~13H2O","","- C100 H116 F21 K N48 O55 -","- C90 H84 F6 K N48 O32 -","- C360 H336 F24 K4 N192 O128 -","4","0.5","","Huang, Wei-Hao; Zavalij, Peter Y.; Isaacs, Lyle","Folding of long-chain alkanediammonium ions promoted by a cucurbituril derivative.","Organic letters","2008","10","12","2577","2580","10.1021/ol800893n","","","0.71073","MoKα","","0.0711","0.0537","","","0.1","0.1048","","","","","","1","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504720","27.6038","0.0002","27.6038","0.0002","27.6038","0.0002","90","","90","","90","","21033.3","0.3","150","2","150","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","CBPh diamine diiodide","CBPh diamine diiodide hydrate","","- C52 H94 I2 N26 O28 -","- C52 H64 I N26 O13 -","- C624 H768 I12 N312 O156 -","12","1","","Huang, Wei-Hao; Zavalij, Peter Y.; Isaacs, Lyle","Folding of long-chain alkanediammonium ions promoted by a cucurbituril derivative.","Organic letters","2008","10","12","2577","2580","10.1021/ol800893n","","","0.71073","MoKα","","0.076","0.0723","","","0.1807","0.1835","","","","","","1","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504721","10.2311","0.0002","17.311","0.0004","14.641","0.0003","90","","98.903","0.001","90","","2561.83","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H31 Br N4 O3 -","- C27 H31 Br N4 O3 -","- C108 H124 Br4 N16 O12 -","4","2","","Sibi, Mukund P.; Rane, Digamber; Stanley, Levi M.; Soeta, Takahiro","Copper(II)-catalyzed exo and enantioselective cycloadditions of azomethine imines.","Organic letters","2008","10","14","2971","2974","10.1021/ol800904t","","","0.71073","MoKα","","0.0575","0.0396","","","0.0762","0.0823","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504722","10.2047","0.0007","10.8572","0.0007","15.5304","0.001","70.723","0.003","81.924","0.003","78.508","0.002","1586.45","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H53 Fe N3 Si2 -","- C29 H53 Fe N3 Si2 -","- C58 H106 Fe2 N6 Si4 -","2","1","","Tondreau, Aaron M.; Lobkovsky, Emil; Chirik, Paul J.","Bis(imino)pyridine iron complexes for aldehyde and ketone hydrosilylation.","Organic letters","2008","10","13","2789","2792","10.1021/ol800906b","","","0.71073","MoKα","","0.0851","0.0661","","","0.1066","0.1132","","","","","","1.166","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504723","15.7557","0.0004","15.0846","0.0003","7.9914","0.0001","90","","90.176","0.001","90","","1899.29","0.07","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1(10),4(10)-Di-n-hexyl-1,4(3,7)-diphenothiazinacyclophan-2,5-di-(1,2-phenylene)","","- C48 H46 N2 S2 -","- C48 H46 N2 S2 -","- C96 H92 N4 S4 -","2","0.5","","Memminger, Karin; Oeser, Thomas; Müller, Thomas J J","Phenothiazinophanes: synthesis, structure, and intramolecular electronic communication.","Organic letters","2008","10","13","2797","2800","10.1021/ol800920d","","","0.71073","MoKα","","0.0866","0.043","","","0.1018","0.1286","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504724","10.0925","0.0009","13.932","0.001","11.781","0.001","90","","97.151","0.002","90","","1643.6","0.2","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1(10),4(10)-Di-n-hexyl-1,4(3,7)-diphenothiazinacyclophan-2,5-diene","","- C40 H42 N2 S2 -","- C40 H42 N2 S2 -","- C80 H84 N4 S4 -","2","0.5","","Memminger, Karin; Oeser, Thomas; Müller, Thomas J J","Phenothiazinophanes: synthesis, structure, and intramolecular electronic communication.","Organic letters","2008","10","13","2797","2800","10.1021/ol800920d","","","0.71073","MoKα","","0.0817","0.0679","","","0.1624","0.1717","","","","","","1.101","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504725","10.4057","0.0001","13.7973","0.0002","11.7812","0.0002","90","","96.178","0.001","90","","1681.61","0.04","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1(10),4(10)-Di-n-hexyl-1,4(3,7)-diphenothiazinacyclohexa-phane","","- C40 H46 N2 S2 -","- C40 H46 N2 S2 -","- C80 H92 N4 S4 -","2","0.5","","Memminger, Karin; Oeser, Thomas; Müller, Thomas J J","Phenothiazinophanes: synthesis, structure, and intramolecular electronic communication.","Organic letters","2008","10","13","2797","2800","10.1021/ol800920d","","","0.71073","MoKα","","0.0532","0.0419","","","0.1102","0.1187","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504726","9.9608","0.0006","9.8561","0.0004","33.131","0.0019","90","","90","","90","","3252.6","0.3","150","1","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H16 O6 -","- C19 H16 O6 -","- C152 H128 O48 -","8","1","","Wilsily, Ashraf; Fillion, Eric","Asymmetric synthesis of carboxylic acid derivatives having an all-carbon alpha-quaternary center through Cu-catalyzed 1,4-addition of dialkylzinc reagents to 2-aryl acetate derivatives.","Organic letters","2008","10","13","2801","2804","10.1021/ol800923q","","","0.71073","MoKα","","0.1276","0.0507","","","0.1111","0.1434","","","","","","0.971","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504727","19.15","0.013","5.058","0.003","12.838","0.01","90","","97.09","0.02","90","","1234","1.5","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","","Hobson, Stephen J.; Parkin, Andrew; Marquez, Rodolfo","Oxidative rearrangements of isobenzofurans: studies toward the synthesis of the ajudazols.","Organic letters","2008","10","13","2813","2816","10.1021/ol8009336","","","0.71073","MoKα","","0.1909","0.0771","","0.1766","0.1382","0.1766","","","","","","0.8991","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504728","8.3707","0.0004","7.7537","0.0003","22.1213","0.001","90","","94.832","0.002","90","","1430.66","0.11","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C64 H68 N4 O16 -","4","1","","Hobson, Stephen J.; Parkin, Andrew; Marquez, Rodolfo","Oxidative rearrangements of isobenzofurans: studies toward the synthesis of the ajudazols.","Organic letters","2008","10","13","2813","2816","10.1021/ol8009336","","","0.71073","MoKα","","0.1063","0.056","","0.1332","0.1112","0.1332","","","","","","0.9678","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504729","9.87","0.002","8.6195","0.0017","18.694","0.004","90","","91.75","0.03","90","","1589.6","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H12 Br N O5 -","- C18 H12 Br N O5 -","- C72 H48 Br4 N4 O20 -","4","2","","Zhou, Wen-Ming; Liu, Han; Du, Da-Ming","Organocatalytic highly enantioselective Michael addition of 2-hydroxy-1,4-naphthoquinones to nitroalkenes.","Organic letters","2008","10","13","2817","2820","10.1021/ol800945e","","","0.71073","MoKα","","0.0705","0.0411","","","0.1024","0.1172","","","","","","0.608","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504730","5.563","0.002","9.19","0.002","30.584","0.006","90","","90","","90","","1563.6","0.7","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","acetic acid (E)-(3R,6R,7S,10S)-7,10-dihydroxy-3,7-dimethyl-12-oxo- oxacyclododec-4-en-6-yl ester (4)","","- C15 H24 O6 -","- C15 H24 O6 -","- C60 H96 O24 -","4","1","","Skaanderup, Philip R.; Jensen, Thomas","Synthesis of the macrocyclic core of (-)-pladienolide B.","Organic letters","2008","10","13","2821","2824","10.1021/ol800946x","","","1.54178","CuKα","","0.0278","0.0271","","","0.0673","0.0679","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504731","10.4863","0.0004","10.1556","0.0004","10.9469","0.0005","90","","95.391","0.002","90","","1160.63","0.08","93.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H31 Cl N O6 P -","- C21 H31 Cl N O6 P -","- C42 H62 Cl2 N2 O12 P2 -","2","1","","Chen, Zhihua; Yakura, Kenichiro; Matsunaga, Shigeki; Shibasaki, Masakatsu","Direct catalytic asymmetric Mannich-type reaction of beta-keto phosphonate using a dinuclear Ni2-Schiff base complex.","Organic letters","2008","10","15","3239","3242","10.1021/ol800965t","","","1.54187","CuKα","","","0.0577","","","","0.1544","","","","","","1.029","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504732","9.712","0.0012","13.6425","0.0016","16.0491","0.0018","100.901","0.008","93.183","0.008","95.034","0.009","2074.4","0.4","153","","153","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H38 Br4 O8 -","- C44 H38 Br4 O8 -","- C88 H76 Br8 O16 -","2","1","","Shibata, Yu; Noguchi, Keiichi; Hirano, Masao; Tanaka, Ken","Rhodium-catalyzed highly enantio- and diastereoselective cotrimerization of alkenes and dialkyl acetylenedicarboxylates leading to furylcyclopropanes.","Organic letters","2008","10","13","2825","2828","10.1021/ol800966f","","","1.54187","CuKα","","0.0863","0.0617","","","0.1672","0.1955","","","","","","1.115","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504733","32.6745","0.0006","6.89073","0.00012","18.7222","0.0003","90","","93.278","0.001","90","","4208.43","0.13","193","","193","","","","","","","","","5","C 1 2 1","C 2y","5","","2,4-dinitro phenyl hydorazone of (+)-2-(3-Bromopropyl)- 1-methoxyoxalylcyclopropanecarboxylic acid methyl ester","","- C17.25 H20 Br N4 O8.25 -","- C17.25 H19 Br N4 O8.25 -","- C138 H152 Br8 N32 O66 -","8","2","","Shibata, Yu; Noguchi, Keiichi; Hirano, Masao; Tanaka, Ken","Rhodium-catalyzed highly enantio- and diastereoselective cotrimerization of alkenes and dialkyl acetylenedicarboxylates leading to furylcyclopropanes.","Organic letters","2008","10","13","2825","2828","10.1021/ol800966f","","","1.54187","CuKα","","0.0399","0.0335","","","0.095","0.0997","","","","","","1.07","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1504734","9.132","0.003","11.574","0.004","13.473","0.004","92.904","0.005","92.889","0.005","97.025","0.005","1409.2","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H31 N4 O4 -","- C34 H31 N4 O4 -","- C68 H62 N8 O8 -","2","1","","Suresh, Moorthy; Shrivastav, Anupama; Mishra, Sandhya; Suresh, E.; Das, Amitava","A rhodamine-based chemosensor that works in the biological system.","Organic letters","2008","10","14","3013","3016","10.1021/ol800976d","","","0.71073","MoKα","","0.1165","0.078","","","0.1987","0.2223","","","","","","1.057","","","","has coordinates","288193","2023-12-08","17:12:23",""
"1504735","15.0005","0.0002","14.8773","0.0003","14.1645","0.0002","90","","92.787","0.001","90","","3157.31","0.09","571","2","571","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","HUI2244","","","- C24 H44 Br N O4 Si2 -","- C24 H44 Br N O4 Si2 -","- C96 H176 Br4 N4 O16 Si8 -","4","1","","Wang, Hui; Tassa, Carlos; Jacobi, Peter A.","Toward the synthesis of cobyric acid. Enantioselective syntheses of completely differentiated ring D synthons.","Organic letters","2008","10","13","2837","2840","10.1021/ol800985m","","x-ray","0.71073","MoKα","","0.0879","0.0627","","","0.1824","0.2071","","","","","","1.06","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504736","7.355","0.0007","13.6917","0.0012","14.3079","0.0013","90","","90","","90","","1440.8","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Cl4 O5 -","- C12 H12 Cl4 O5 -","- C48 H48 Cl16 O20 -","4","1","","Khan, Faiz Ahmed; Sudheer, Ch","A chiral pool approach to the synthesis of optically active tetrahalo norbornyl building blocks.","Organic letters","2008","10","14","3029","3032","10.1021/ol800990m","","","0.71073","MoKα","","0.0572","0.0442","","","0.0917","0.1145","","","","","","1.102","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504737","29.003","0.003","8.7758","0.0007","13.4454","0.0011","90","","94.309","0.003","90","","3412.5","0.5","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C10 H9.6 Cl4 O4 -","- C10 H9.6 Cl4 O4 -","- C100 H96 Cl40 O40 -","10","2.5","","Khan, Faiz Ahmed; Sudheer, Ch","A chiral pool approach to the synthesis of optically active tetrahalo norbornyl building blocks.","Organic letters","2008","10","14","3029","3032","10.1021/ol800990m","","","0.71073","MoKα","","0.0984","0.0682","","","0.1296","0.1762","","","","","","1.084","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504738","7.2589","0.0004","8.0219","0.0005","13.7297","0.0008","82.478","0.001","89.572","0.001","78.912","0.001","777.68","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 N O4 -","- C19 H15 N O4 -","- C38 H30 N2 O8 -","2","1","","Chen, Jian; Liu, Qiang; Zhang, Weicheng; Spinella, Stephen; Lei, Aiwen; Zhang, Xumu","A convenient synthesis and the asymmetric hydrogenation of N-phthaloyl dehydroamino acid esters.","Organic letters","2008","10","14","3033","3036","10.1021/ol800996j","","","0.71073","MoKα","","0.0496","0.042","","","0.1099","0.1154","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504739","6.3701","0.0007","13.0956","0.0014","7.4352","0.0008","90","","100.464","0.002","90","","609.93","0.11","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C14 H13 N O4 -","- C14 H13 N O4 -","- C28 H26 N2 O8 -","2","1","","Chen, Jian; Liu, Qiang; Zhang, Weicheng; Spinella, Stephen; Lei, Aiwen; Zhang, Xumu","A convenient synthesis and the asymmetric hydrogenation of N-phthaloyl dehydroamino acid esters.","Organic letters","2008","10","14","3033","3036","10.1021/ol800996j","","","0.71073","MoKα","","0.0374","0.0365","","","0.091","0.0918","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504740","24.1585","0.0017","9.1995","0.0007","15.4967","0.0011","90","","120.19","0.002","90","","2976.9","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C128 H136 N8 O32 -","8","1","","Chen, Jian; Liu, Qiang; Zhang, Weicheng; Spinella, Stephen; Lei, Aiwen; Zhang, Xumu","A convenient synthesis and the asymmetric hydrogenation of N-phthaloyl dehydroamino acid esters.","Organic letters","2008","10","14","3033","3036","10.1021/ol800996j","","","0.71073","MoKα","","0.0509","0.0461","","","0.1153","0.119","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504741","25.4211","0.0002","25.4211","0.0002","25.4211","0.0002","90","","90","","90","","16427.9","0.2","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","I 2 3","I 2 2 3","197","","","","- C26 H29 N3 O3 -","- C26 H29 N3 O3 -","- C624 H696 N72 O72 -","24","1","","Deaudelin, Philippe; Lubell, William D.","Diastereoselective Pictet-Spengler approach for the synthesis of pyrrolo[3,2-e][1,4]diazepin-2-one peptide turn mimics.","Organic letters","2008","10","13","2841","2844","10.1021/ol8009978","","","1.54178","CuKα","","0.0493","0.0347","","","0.0619","0.0639","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504742","20.4237","0.0014","20.3095","0.001","8.6895","0.0003","90","","90","","90","","3604.4","0.3","150","","150","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C17 H24 Br N O S -","- C17 H24 Br N O S -","- C136 H192 Br8 N8 O8 S8 -","8","2","","Reddy, Leleti Rajender; Hu, Bin; Prashad, Mahavir; Prasad, Kapa","Asymmetric synthesis of homoallylic amines bearing adjacent stereogenic centers by addition of substituted allylic zinc reagents to N-tert-butanesulfinylimines.","Organic letters","2008","10","14","3109","3112","10.1021/ol800998u","","","0.71073","MO-Kα","","0.079","0.046","","","0.087","0.099","","","","","","1.033","","","","has coordinates","288193","2023-12-08","17:12:23",""
"1504743","9.5271","0.0005","21.4263","0.0017","9.7891","0.0006","90","","91.402","0.004","90","","1997.7","0.2","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H24 Br N O S -","- C20 H24 Br N O S -","- C80 H96 Br4 N4 O4 S4 -","4","2","","Reddy, Leleti Rajender; Hu, Bin; Prashad, Mahavir; Prasad, Kapa","Asymmetric synthesis of homoallylic amines bearing adjacent stereogenic centers by addition of substituted allylic zinc reagents to N-tert-butanesulfinylimines.","Organic letters","2008","10","14","3109","3112","10.1021/ol800998u","","","0.71073","MO-Kα","","0.085","0.076","","","0.21","0.216","","","","","","1.046","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504744","12.1522","0.0001","15.2957","0.0001","30.1893","0.0002","90","","99.7647","0.0004","90","","5530.18","0.07","230","2","230","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H64.5 B2 Cl3 N1.5 O8 S4 -","- C50 H61 B2 Cl3 N1.5 O8 S4 -","- C200 H244 B8 Cl12 N6 O32 S16 -","4","1","","Morohashi, Naoya; Kitahara, Tsuyoshi; Arima, Tomoko; Tanaka, Shinya; Ohba, Yoshihiro; Hattori, Tetsutaro","Synthesis of dinuclear boron complexes of sulfinylcalix[4]arenes: Syn/Anti stereocontrol by the arrangement of the sulfinyl functions.","Organic letters","2008","10","13","2845","2848","10.1021/ol801011q","","","1.54187","CuKα","","0.0728","0.0628","","","0.1774","0.1843","","","","","","1.065","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1504745","17.2078","0.0003","11.5303","0.0002","12.0049","0.0002","90","","102.513","0.001","90","","2325.33","0.07","193","","193","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C43 H54 Br2 N2 O11 P2 S2 -","- C43 H54 Br2 N2 O11 P2 S2 -","- C86 H108 Br4 N4 O22 P4 S4 -","2","0.5","","Nishida, Goushi; Ogaki, Shuichiro; Yusa, Yukinori; Yokozawa, Tohru; Noguchi, Keiichi; Tanaka, Ken","Practical enantioselective synthesis of axially chiral biaryl diphosphonates and dicarboxylates by cationic rhodium(I)/Segphos-catalyzed double [2 + 2 + 2] cycloaddition.","Organic letters","2008","10","13","2849","2852","10.1021/ol801013v","","","1.54187","CuKα","","0.05","0.0482","","","0.1386","0.1414","","","","","","1.004","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504746","8.813","0.005","10.176","0.005","15.776","0.009","95.968","0.018","104.752","0.019","114.023","0.016","1214.6","1.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H31 B F2 N4 O2 -","- C27 H31 B F2 N4 O2 -","- C54 H62 B2 F4 N8 O4 -","2","1","","Maeda, Hiromitsu; Mihashi, Yuta; Haketa, Yohei","Heteroaryl-substituted C3-bridged oligopyrroles: potential building subunits of anion-responsive pi-conjugated oligomers.","Organic letters","2008","10","15","3179","3182","10.1021/ol801014z","","","0.71075","MoKα","","0.1252","0.0547","","","0.0873","0.1018","","","","","","0.886","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504747","10.973","0.004","14.24","0.004","16.635","0.007","77.794","0.014","77.538","0.015","72.323","0.014","2388.3","1.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H29 B F2 N2 O4 -","- C27 H29 B F2 N2 O4 -","- C108 H116 B4 F8 N8 O16 -","4","2","","Maeda, Hiromitsu; Mihashi, Yuta; Haketa, Yohei","Heteroaryl-substituted C3-bridged oligopyrroles: potential building subunits of anion-responsive pi-conjugated oligomers.","Organic letters","2008","10","15","3179","3182","10.1021/ol801014z","","","0.71075","MoKα","","0.0801","0.0483","","","0.1222","0.1358","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504748","18.575","0.005","9.0099","0.0018","30.916","0.009","90","","104.86","0.012","90","","5001","2","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H29 B F2 N2 O2 S2 -","- C27 H29 B F2 N2 O2 S2 -","- C216 H232 B8 F16 N16 O16 S16 -","8","1","","Maeda, Hiromitsu; Mihashi, Yuta; Haketa, Yohei","Heteroaryl-substituted C3-bridged oligopyrroles: potential building subunits of anion-responsive pi-conjugated oligomers.","Organic letters","2008","10","15","3179","3182","10.1021/ol801014z","","","0.71075","MoKα","","0.0544","0.0417","","","0.0921","0.1026","","","","","","1.077","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504749","8.761","0.003","19.396","0.006","25.376","0.007","90","","100.935","0.011","90","","4234","2","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H67 B Cl F2 N5 O2 -","- C43 H67 B Cl F2 N5 O2 -","- C172 H268 B4 Cl4 F8 N20 O8 -","4","1","","Maeda, Hiromitsu; Mihashi, Yuta; Haketa, Yohei","Heteroaryl-substituted C3-bridged oligopyrroles: potential building subunits of anion-responsive pi-conjugated oligomers.","Organic letters","2008","10","15","3179","3182","10.1021/ol801014z","","","0.71075","MoKα","","0.0863","0.0603","","","0.1663","0.1873","","","","","","1.108","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504750","6.8697","0.0004","11.4506","0.0007","10.6918","0.0007","90","","90.015","0.001","90","","841.04","0.09","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H22 I N O2 -","- C18 H22 I N O2 -","- C36 H44 I2 N2 O4 -","2","1","","Esmieu, William R.; Worden, Stephen M.; Catterick, David; Wilson, Claire; Hayes, Christopher J.","A formal synthesis of (-)-cephalotaxine.","Organic letters","2008","10","14","3045","3048","10.1021/ol8010166","","","0.71073","MoKα","","0.0167","0.0166","","","0.0439","0.044","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504751","7.6125","0.0007","8.1308","0.0007","12.5485","0.0011","90","","105.841","0.002","90","","747.2","0.11","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 N O3 -","- C18 H21 N O3 -","- C36 H42 N2 O6 -","2","1","","Esmieu, William R.; Worden, Stephen M.; Catterick, David; Wilson, Claire; Hayes, Christopher J.","A formal synthesis of (-)-cephalotaxine.","Organic letters","2008","10","14","3045","3048","10.1021/ol8010166","","","0.71073","MoKα","","0.0345","0.0335","","","0.0926","0.0936","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504752","12.4","0.002","18.888","0.003","21.458","0.003","90","","90","","90","","5025.7","1.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H22 O2 -","- C12 H22 O2 -","- C192 H352 O32 -","16","4","","Corbu, Andrei; Perez, Manuel; Aquino, Maurizio; Retailleau, Pascal; Arseniyadis, Simeon","Total synthesis and structural confirmation of ent-galbanic acid and marneral.","Organic letters","2008","10","13","2853","2856","10.1021/ol8010216","","","0.7107","MoKα","","0.0688","0.0442","","","0.1078","0.1238","","","","","","1.111","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504753","24.631","0.007","24.631","0.007","7.397","0.003","90","","90","","90","","4488","3","293","2","293","2","","","","","","","","4","I 41","I 4bw","80","","2-((1R,2R,3R)-2-((tert-butyldimethylsilyloxy)methyl) -2,3-dimethyl-6-(propan-2-ylidene)cyclohexyl)ethanol","","- C20 H40 O2 Si -","- C20 H40 O2 Si -","- C160 H320 O16 Si8 -","8","1","","Corbu, Andrei; Perez, Manuel; Aquino, Maurizio; Retailleau, Pascal; Arseniyadis, Simeon","Total synthesis and structural confirmation of ent-galbanic acid and marneral.","Organic letters","2008","10","13","2853","2856","10.1021/ol8010216","","","0.71069","MoKα","","0.0669","0.0416","","","0.0868","0.0982","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504754","9.9856","0.0004","10.1967","0.0004","11.5731","0.0005","100.869","0.003","103.617","0.003","90.203","0.003","1123.29","0.08","293","2","293","2","","","","","","","synthesis as described","5","P 1","P 1","1","","","","- C27 H26 N O2 P -","- C27 H26 N O2 P -","- C54 H52 N2 O4 P2 -","2","2","","Oña-Burgos, Pascual; Fernández, Ignacio; Roces, Laura; Torre-Fernández, Laura; García-Granda, Santiago; López-Ortiz, Fernando","Asymmetric deprotonation-substitution of N-Pop-benzylamines using [RLi/(-)-sparteine]. Enantioselective sequential reactions and synthesis of N-heterocycles.","Organic letters","2008","10","15","3195","3198","10.1021/ol801027p","","x-ray","1.54184","CuKα","","0.0645","0.0494","","","0.1184","0.1243","","","","","","0.91","","","","has coordinates","287985","2023-12-04","13:26:38",""
"1504755","11.524","0.0001","9.198","0.0001","13.4063","0.0001","90","","94.931","0.001","90","","1415.78","0.02","150","2","150","","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C29 H32 N O P Sn -","- C29 H32 N O P Sn -","- C58 H64 N2 O2 P2 Sn2 -","2","1","","Oña-Burgos, Pascual; Fernández, Ignacio; Roces, Laura; Torre-Fernández, Laura; García-Granda, Santiago; López-Ortiz, Fernando","Asymmetric deprotonation-substitution of N-Pop-benzylamines using [RLi/(-)-sparteine]. Enantioselective sequential reactions and synthesis of N-heterocycles.","Organic letters","2008","10","15","3195","3198","10.1021/ol801027p","","x-ray","1.54184","CuKα","","0.03","0.0251","","","0.0544","0.0561","","","","","","0.934","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504756","13.7407","0.0002","15.7646","0.0002","17.2946","0.0002","90","","90","","90","","3746.3","0.08","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H37 F3 N O4 P -","- C43 H37 F3 N O4 P -","- C172 H148 F12 N4 O16 P4 -","4","1","","Oña-Burgos, Pascual; Fernández, Ignacio; Roces, Laura; Torre-Fernández, Laura; García-Granda, Santiago; López-Ortiz, Fernando","Asymmetric deprotonation-substitution of N-Pop-benzylamines using [RLi/(-)-sparteine]. Enantioselective sequential reactions and synthesis of N-heterocycles.","Organic letters","2008","10","15","3195","3198","10.1021/ol801027p","","","1.54184","CuKα","","0.0396","0.034","","","0.081","0.0839","","","","","","0.981","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504757","14.1446","0.0002","8.1465","0.0001","18.4003","0.0002","90","","106.938","0.002","90","","2028.27","0.05","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 S2 -","- C28 H18 S2 -","- C112 H72 S8 -","4","1","","Zyryanov, Grigory V.; Palacios, Manuel A.; Anzenbacher, Jr, Pavel","Simple molecule-based fluorescent sensors for vapor detection of TNT.","Organic letters","2008","10","17","3681","3684","10.1021/ol801030u","","","0.71073","MoKα","","0.0643","0.0402","","","0.0962","0.1057","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504758","11.9407","0.0012","6.2424","0.0006","26.774","0.003","90","","101.211","0.006","90","","1957.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Br O3 P -","- C22 H18 Br O3 P -","- C88 H72 Br4 O12 P4 -","4","1","","Cullen, Steven C.; Rovis, Tomislav","Catalytic asymmetric stetter reaction onto vinylphosphine oxides and vinylphosphonates.","Organic letters","2008","10","14","3141","3144","10.1021/ol801047k","","","0.71073","MoKα","","0.0735","0.0378","","","0.081","0.0931","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504759","9.3998","0.0013","9.9414","0.0013","11.4269","0.0015","65.82","0.002","74.446","0.002","71.54","0.002","912.1","0.2","273","2","273","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H19 O2 P -","- C22 H19 O2 P -","- C44 H38 O4 P2 -","2","2","","Cullen, Steven C.; Rovis, Tomislav","Catalytic asymmetric stetter reaction onto vinylphosphine oxides and vinylphosphonates.","Organic letters","2008","10","14","3141","3144","10.1021/ol801047k","","","0.71073","MoKα","","0.0601","0.0533","","","0.1434","0.1537","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504760","14.823","0.003","8.027","0.002","19.753","0.004","90","","107.05","0.004","90","","2247","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N O5 S -","- C26 H25 N O5 S -","- C104 H100 N4 O20 S4 -","4","1","","Clarke, Paul A.; Zaytsev, Andrey V.; Morgan, Tyson W.; Whitwood, Adrian C.; Wilson, Claire","One-pot synthesis of functionalized piperid-4-ones: a four-component condensation.","Organic letters","2008","10","13","2877","2880","10.1021/ol801051g","","","0.71073","MoKα","","0.0665","0.0503","","","0.1194","0.1268","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504761","8.8","0.0019","17.25","0.004","14.747","0.003","90","","94.038","0.004","90","","2233","0.8","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N O5 S -","- C26 H25 N O5 S -","- C104 H100 N4 O20 S4 -","4","1","","Clarke, Paul A.; Zaytsev, Andrey V.; Morgan, Tyson W.; Whitwood, Adrian C.; Wilson, Claire","One-pot synthesis of functionalized piperid-4-ones: a four-component condensation.","Organic letters","2008","10","13","2877","2880","10.1021/ol801051g","","","0.71073","MoKα","","0.1056","0.0473","","","0.0976","0.1208","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504762","15.5806","0.0008","10.3641","0.0005","15.243","0.0008","90","","117.34","0.001","90","","2186.47","0.19","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N O5 S -","- C23 H27 N O5 S -","- C92 H108 N4 O20 S4 -","4","1","","Clarke, Paul A.; Zaytsev, Andrey V.; Morgan, Tyson W.; Whitwood, Adrian C.; Wilson, Claire","One-pot synthesis of functionalized piperid-4-ones: a four-component condensation.","Organic letters","2008","10","13","2877","2880","10.1021/ol801051g","","","0.71073","MoKα","","0.0604","0.0455","","","0.1227","0.1338","","","","","","1.028","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504763","21.7464","0.0018","17.0013","0.0014","15.6632","0.0013","90","","128.378","0.001","90","","4539.7","0.7","299","2","299","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H27 N O5 S -","- C23 H27 N O5 S -","- C184 H216 N8 O40 S8 -","8","1","","Clarke, Paul A.; Zaytsev, Andrey V.; Morgan, Tyson W.; Whitwood, Adrian C.; Wilson, Claire","One-pot synthesis of functionalized piperid-4-ones: a four-component condensation.","Organic letters","2008","10","13","2877","2880","10.1021/ol801051g","","","0.71073","MoKα","","0.0558","0.0392","","","0.1054","0.1163","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504764","9.802","0.0008","10.6095","0.0009","10.8503","0.0009","88.983","0.002","63.266","0.002","89.336","0.002","1007.59","0.15","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 N O5 S -","- C21 H23 N O5 S -","- C42 H46 N2 O10 S2 -","2","1","","Clarke, Paul A.; Zaytsev, Andrey V.; Morgan, Tyson W.; Whitwood, Adrian C.; Wilson, Claire","One-pot synthesis of functionalized piperid-4-ones: a four-component condensation.","Organic letters","2008","10","13","2877","2880","10.1021/ol801051g","","","0.71073","MoKα","","0.0533","0.0377","","","0.0965","0.1042","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504765","8.52","0.002","12.605","0.002","12.968","0.002","92.105","0.013","97.36","0.016","95.41","0.014","1373.4","0.4","295","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H23 B Br2 F2 N4 -","- C31 H23 B Br2 F2 N4 -","- C62 H46 B2 Br4 F4 N8 -","2","1","","Deniz, Erhan; Isbasar, G. Ceyda; Bozdemir, O. Altan; Yildirim, Leyla T.; Siemiarczuk, Aleksander; Akkaya, Engin U.","Bidirectional switching of near IR emitting boradiazaindacene fluorophores.","Organic letters","2008","10","16","3401","3403","10.1021/ol801062h","","x-ray","1.54184","CuKα","","","0.0715","","","","0.2135","","","","","","0.979","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504766","56.489","0.009","10.027","0.0015","32.895","0.005","90","","91.584","0.004","90","","18625","5","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H51 N3 O3 -","- C54 H48 N3 O3 -","- C864 H768 N48 O48 -","16","2","","Yokoyama, Akihiro; Maruyama, Takurou; Tagami, Kei; Masu, Hyuma; Katagiri, Kosuke; Azumaya, Isao; Yokozawa, Tsutomu","One-pot synthesis of cyclic triamides with a triangular cavity from trans-stilbene and diphenylacetylene monomers.","Organic letters","2008","10","15","3207","3210","10.1021/ol801083r","","","0.71073","MoKα","","0.2702","0.1042","","","0.2336","0.2964","","","","","","0.894","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504767","20.473","0.012","8.427","0.005","43.282","0.019","90","","118.19","0.02","90","","6582","6","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C82 H77 N3 O3 -","- C82 H77 N3 O3 -","- C328 H308 N12 O12 -","4","1","","Yokoyama, Akihiro; Maruyama, Takurou; Tagami, Kei; Masu, Hyuma; Katagiri, Kosuke; Azumaya, Isao; Yokozawa, Tsutomu","One-pot synthesis of cyclic triamides with a triangular cavity from trans-stilbene and diphenylacetylene monomers.","Organic letters","2008","10","15","3207","3210","10.1021/ol801083r","","","0.71073","MoKα","","0.1635","0.1187","","","0.3111","0.3357","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504768","9.5982","0.0007","9.7577","0.0007","25.0162","0.0018","90","","100.075","0.002","90","","2306.8","0.3","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H46 Cl4 N4 O10 -","- C50 H46 Cl4 N4 O10 -","- C100 H92 Cl8 N8 O20 -","2","0.5","","Rasberry, Roger D.; Smith, Mark D.; Shimizu, Ken D.","Origins of selectivity in a colorimetric charge-transfer sensor for diols.","Organic letters","2008","10","13","2889","2892","10.1021/ol801089e","","","0.71073","MoKα","","0.0673","0.0433","","","0.0981","0.1072","","","","","","0.934","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504769","6.1899","0.0006","23.581","0.002","10.79","0.001","90","","93.418","0.002","90","","1572.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 F3 N2 O4 S -","- C15 H13 F3 N2 O4 S -","- C60 H52 F12 N8 O16 S4 -","4","1","","Arnott, Gareth; Brice, Heloise; Clayden, Jonathan; Blaney, Emma","Electrophile-induced dearomatizing spirocyclization of N-arylisonicotinamides: a route to spirocyclic piperidines.","Organic letters","2008","10","14","3089","3092","10.1021/ol801092s","","","0.71073","MoKα","","0.0379","0.0318","","","0.0884","0.0905","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504770","19.295","0.002","5.7668","0.0009","22.291","0.003","90","","107.45","0.01","90","","2366.2","0.6","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,6-di-(tert-butyl)-9-{4-(butadiynyl)phenyl}carbazole","","- C30 H29 N -","- C30 H29 N -","- C120 H116 N4 -","4","1","","Wang, Changsheng; Batsanov, Andrei S.; West, Kara; Bryce, Martin R.","Synthesis and crystal structures of isolable terminal aryl hexatriyne and octatetrayne derivatives: Ar-(C triple bond C)nH (n = 3, 4).","Organic letters","2008","10","14","3069","3072","10.1021/ol801121p","","","0.71073","MoKα","","0.1289","0.0527","","","0.0975","0.1175","","","","","","0.863","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504771","21.065","0.003","5.6665","0.0008","22.09","0.004","90","","98.48","0.05","90","","2607.9","0.8","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,6-di-(tert-butyl)-9-{4-(octatetraynyl)phenyl}carbazole","","- C34 H29 N -","- C34 H29 N -","- C136 H116 N4 -","4","1","","Wang, Changsheng; Batsanov, Andrei S.; West, Kara; Bryce, Martin R.","Synthesis and crystal structures of isolable terminal aryl hexatriyne and octatetrayne derivatives: Ar-(C triple bond C)nH (n = 3, 4).","Organic letters","2008","10","14","3069","3072","10.1021/ol801121p","","","0.71073","MoKα","","0.1624","0.0604","","","0.084","0.1045","","","","","","0.895","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504772","5.824","0.001","19.988","0.002","21.42","0.002","90","","96.61","0.01","90","","2476.9","0.5","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,6-di-(tert-butyl)-9-{4-(hexatriynyl)phenyl}carbazole","","- C32 H29 N -","- C32 H29 N -","- C128 H116 N4 -","4","1","","Wang, Changsheng; Batsanov, Andrei S.; West, Kara; Bryce, Martin R.","Synthesis and crystal structures of isolable terminal aryl hexatriyne and octatetrayne derivatives: Ar-(C triple bond C)nH (n = 3, 4).","Organic letters","2008","10","14","3069","3072","10.1021/ol801121p","","","0.71073","MoKα","","0.0652","0.047","","","0.1173","0.1282","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504773","17.532","0.005","17.532","0.005","14.212","0.008","90","","90","","90","","4368","3","173","2","173","2","","","","","","","","5","I 41","I 4bw","80","N-((R)-1-phenylethyl)-2-(4,5,6,7-tetrafluoro-1, 3-dioxoisoindolin-2-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide","","","- C24 H18 F4 N2 O3 -","- C24 H18 F4 N2 O3 -","- C192 H144 F32 N16 O24 -","8","1","","Ishihara, Kazuaki; Nakano, Kazuhiko; Akakura, Matsujiro","Organocatalytic enantioselective Diels-Alder reaction of dienes with alpha-(N,N-Diacylamino)acroleins.","Organic letters","2008","10","13","2893","2896","10.1021/ol8011277","","","0.71073","MoKα","","0.0478","0.0376","","","0.0914","0.0976","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504774","18.719","0.004","7.5043","0.0015","20.494","0.004","90","","98.693","0.004","90","","2845.8","1","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-1-(1,3-dioxoisoindolin-2-yl)-3, 4-dimethylcyclohex-3-enecarbaldehyde","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C136 H136 N8 O24 -","8","4","","Ishihara, Kazuaki; Nakano, Kazuhiko; Akakura, Matsujiro","Organocatalytic enantioselective Diels-Alder reaction of dienes with alpha-(N,N-Diacylamino)acroleins.","Organic letters","2008","10","13","2893","2896","10.1021/ol8011277","","","0.71073","MoKα","","0.0649","0.0468","","","0.1049","0.1144","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504775","22.937","0.005","7.0286","0.0014","10.134","0.002","90","","90","","90","","1633.8","0.6","223","2","223","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","1-(1,3-dioxoisoindolin-2-yl)-4-phenylcyclohex-3-enecarbaldehyde","","","- C21 H17 N O3 -","- C21 H17 N O3 -","- C84 H68 N4 O12 -","4","1","","Ishihara, Kazuaki; Nakano, Kazuhiko; Akakura, Matsujiro","Organocatalytic enantioselective Diels-Alder reaction of dienes with alpha-(N,N-Diacylamino)acroleins.","Organic letters","2008","10","13","2893","2896","10.1021/ol8011277","","","0.71073","MoKα","","0.0558","0.0488","","","0.1273","0.1338","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504776","11.2793","0.0017","13.656","0.002","14.56","0.002","81.62","0.002","83.411","0.002","82.068","0.002","2187.2","0.5","90","","90","","","","","","","","","3","P -1","-P 1","2","","","","- C62 H42 N4 -","- C62 H42 N4 -","- C124 H84 N8 -","2","1","","Fujita, Kana; Hatano, Sayaka; Kato, Daisuke; Abe, Jiro","Photochromism of a radical diffusion-inhibited hexaarylbiimidazole derivative with intense coloration and fast decoloration performance.","Organic letters","2008","10","14","3105","3108","10.1021/ol801135g","","","0.71073","MoKα","","0.0584","0.0439","","","0.105","0.1136","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504777","7.2532","0.0018","7.703","0.002","10.868","0.003","89.95","0.006","85.439","0.006","84.83","0.006","602.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","TD3T","","","- C12 H4 O2 S5 -","- C12 H4 O2 S5 -","- C24 H8 O4 S10 -","2","1","","Suzuki, Yoshitake; Okamoto, Toshihiro; Wakamiya, Atsushi; Yamaguchi, Shigehiro","Electronic modulation of fused oligothiophenes by chemical oxidation.","Organic letters","2008","10","16","3393","3396","10.1021/ol801136k","","","0.7107","MoKα","","0.0411","0.0292","","","0.0686","0.0742","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504778","16.2746","0.0004","16.2746","0.0004","13.7437","0.0005","90","","90","","90","","3640.19","0.18","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","TDTDT","","","- C30 H44 O4 S5 Si2 -","- C30 H44 O4 S5 Si2 -","- C120 H176 O16 S20 Si8 -","4","0.5","","Suzuki, Yoshitake; Okamoto, Toshihiro; Wakamiya, Atsushi; Yamaguchi, Shigehiro","Electronic modulation of fused oligothiophenes by chemical oxidation.","Organic letters","2008","10","16","3393","3396","10.1021/ol801136k","","","0.7107","MoKα","","0.0349","0.0325","","","0.0729","0.0743","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504779","7.074","0.002","13.714","0.004","17.962","0.005","90","","100.071","0.0016","90","","1715.7","0.8","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","TD2TD","","","- C30 H44 O4 S5 Si2 -","- C30 H44 O4 S5 Si2 -","- C60 H88 O8 S10 Si4 -","2","1","","Suzuki, Yoshitake; Okamoto, Toshihiro; Wakamiya, Atsushi; Yamaguchi, Shigehiro","Electronic modulation of fused oligothiophenes by chemical oxidation.","Organic letters","2008","10","16","3393","3396","10.1021/ol801136k","","","0.7107","MoKα","","0.1091","0.0696","","","0.1204","0.1427","","","","","","1.039","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504780","7.8235","0.0007","18.7193","0.0018","20.708","0.002","90","","90","","90","","3032.7","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C136 H128 N16 O16 -","8","2","","Lu, Zheng; Zheng, Suqing; Zhang, Xumu; Lu, Xiyan","An unexpected phosphine-catalyzed [3 + 2] annulation. Synthesis of highly functionalized cyclopentenes.","Organic letters","2008","10","15","3267","3270","10.1021/ol8011452","","","0.71073","MoKα","","0.143","0.0673","","","0.1678","0.2047","","","","","","0.938","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504781","10.896","0.0003","8.1258","0.0002","25.6367","0.0008","90","","94.007","0.002","90","","2264.29","0.11","193","2","193","2","","","","","","","chemical synthesis","4","P 1 21 1","P 2yb","4","","(6aR,12aS,12bR)-5-(tert-Butyldimethylsilyloxy)-1,2,3,4,6,6a- hexahydrotetraphene-7,12(12aH,12bH)-dione","","- C24 H32 O3 Si -","- C24 H32 O3 Si -","- C96 H128 O12 Si4 -","4","2","","Canales, Eda; Corey, E. J.","Highly enantioselective [4 + 2] cycloaddition reactions catalyzed by a chiral N-methyl-oxazaborolidinium cation.","Organic letters","2008","10","15","3271","3273","10.1021/ol8011502","","","0.71073","MoKα","","0.047","0.0372","","","0.0865","0.0921","","","","","","1.017","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504782","11.1084","0.0018","14.51","0.002","15.814","0.003","92.665","0.004","106.583","0.004","101.121","0.004","2383","0.7","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H42 Cl2 F12 P4 -","- C49 H42 Cl2 F12 P4 -","- C98 H84 Cl4 F24 P8 -","2","1","","Yeo, Hyoung Min; Ryu, Byung Ju; Nam, Kye Chun","A novel fluoride ion colorimetric chemosensor.","Organic letters","2008","10","14","2931","2934","10.1021/ol801153d","","","0.71073","MoKα","","0.1812","0.0929","","","0.2002","0.2854","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504783","11.473","0.0006","13.1979","0.0007","14.8235","0.0007","107.516","0.001","99.267","0.001","93.293","0.001","2099.14","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H43 Br2 N P2 -","- C50 H43 Br2 N P2 -","- C100 H86 Br4 N2 P4 -","2","1","","Yeo, Hyoung Min; Ryu, Byung Ju; Nam, Kye Chun","A novel fluoride ion colorimetric chemosensor.","Organic letters","2008","10","14","2931","2934","10.1021/ol801153d","","","0.71073","MoKα","","0.0753","0.0453","","","0.0945","0.1061","","","","","","0.989","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504784","11.2692","0.0011","13.1613","0.0013","14.7442","0.0014","108.221","0.002","98.803","0.003","93.853","0.002","2037.2","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H43 Cl2 N P2 -","- C50 H43 Cl2 N P2 -","- C100 H86 Cl4 N2 P4 -","2","1","","Yeo, Hyoung Min; Ryu, Byung Ju; Nam, Kye Chun","A novel fluoride ion colorimetric chemosensor.","Organic letters","2008","10","14","2931","2934","10.1021/ol801153d","","","0.71073","MoKα","","0.166","0.0718","","","0.1133","0.1519","","","","","","0.947","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504785","9.931","0.002","9.983","0.002","18.837","0.004","99.01","0.03","98.39","0.03","90.87","0.03","1823.4","0.7","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H16 Cl8 Fe N6 O8 -","- C30 H16 Cl8 Fe N6 O8 -","- C60 H32 Cl16 Fe2 N12 O16 -","2","1","","Liu, Peng; Wong, Ella Lai-Ming; Yuen, Angella Wing-Hoi; Che, Chi-Ming","Highly efficient alkene epoxidation and aziridination catalyzed by iron(II) salt + 4,4',4''-trichloro-2,2':6',2''-terpyridine/4,4''-dichloro-4'-O-PEG-OCH3-2,2':6',2''-terpyridine.","Organic letters","2008","10","15","3275","3278","10.1021/ol801157m","","","0.71073","MoKα","","0.0838","0.0444","","","0.1098","0.1171","","","","","","0.916","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504786","10.4642","0.0016","6.7373","0.001","21.759","0.003","90","","90","","90","","1534","0.4","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H5 F6 S4 Sb -","- C13 H5 F6 S4 Sb -","- C52 H20 F24 S16 Sb4 -","4","0.5","","Beer, Leanne; Reed, Robert W.; Robertson, Craig M.; Oakley, Richard T.; Tham, Fook S.; Haddon, Robert C.","Tetrathiophenalenyl radical and its disulfide-bridged dimer.","Organic letters","2008","10","14","3121","3123","10.1021/ol801159z","","","0.71073","MoKα","","0.0575","0.0399","","","0.0961","0.1033","","","","","","1.023","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504787","18.403","0.006","8.002","0.003","14.417","0.005","90","","90","","90","","2123.1","1.3","173","2","173","2","","","","","","","","3","P b c n","-P 2n 2ab","60","TTPLY","","","- C26 H10 S8 -","- C26 H10 S8 -","- C104 H40 S32 -","4","0.5","","Beer, Leanne; Reed, Robert W.; Robertson, Craig M.; Oakley, Richard T.; Tham, Fook S.; Haddon, Robert C.","Tetrathiophenalenyl radical and its disulfide-bridged dimer.","Organic letters","2008","10","14","3121","3123","10.1021/ol801159z","","","0.71073","MoKα","","0.1828","0.0609","","","0.1028","0.1425","","","","","","0.994","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504788","13.4716","0.0012","16.8715","0.0015","17.4493","0.0014","90","","94.355","0.004","90","","3954.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H53 N3 O2 Zn -","- C45 H53 N3 O2 Zn -","- C180 H212 N12 O8 Zn4 -","4","1","","Wezenberg, Sander J.; Escudero-Adán, Eduardo C; Benet-Buchholz, Jordi; Kleij, Arjan W.","Colorimetric discrimination between important alkaloid nuclei mediated by a bis-salphen chromophore.","Organic letters","2008","10","15","3311","3314","10.1021/ol801167r","","","0.71073","MoKα","","0.0553","0.0386","","","0.0985","0.1079","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504789","11.607","0.007","25.129","0.014","26.947","0.013","90","","101.34","0.03","90","","7706","7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C85 H105 N5 O6 Zn2 -","- C85 H105 N5 O6 Zn2 -","- C340 H420 N20 O24 Zn8 -","4","1","","Wezenberg, Sander J.; Escudero-Adán, Eduardo C; Benet-Buchholz, Jordi; Kleij, Arjan W.","Colorimetric discrimination between important alkaloid nuclei mediated by a bis-salphen chromophore.","Organic letters","2008","10","15","3311","3314","10.1021/ol801167r","","","0.71073","MoKα","","0.0835","0.0506","","","0.1148","0.1296","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504790","23.0378","0.0011","10.0623","0.0006","19.4193","0.001","90","","110.731","0.003","90","","4210.2","0.4","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C49 H52 N3 O2 Zn -","- C49 H52 N3 O2 Zn -","- C196 H208 N12 O8 Zn4 -","4","0.5","","Wezenberg, Sander J.; Escudero-Adán, Eduardo C; Benet-Buchholz, Jordi; Kleij, Arjan W.","Colorimetric discrimination between important alkaloid nuclei mediated by a bis-salphen chromophore.","Organic letters","2008","10","15","3311","3314","10.1021/ol801167r","","","0.71073","MoKα","","0.0983","0.0719","","","0.1733","0.1849","","","","","","1.099","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504791","6.3335","0.0006","7.2872","0.0007","20.5729","0.0018","91.2787","0.001","97.7238","0.0011","114.408","0.001","853.61","0.14","200","2","200","2","","","","","","","","3","P 1","P 1","1","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C40 H56 O4 -","2","2","","Boukouvalas, John; Wang, Jian-Xin","Structure revision and synthesis of a novel labdane diterpenoid from Zingiber ottensii.","Organic letters","2008","10","16","3397","3399","10.1021/ol8011919","","","0.71073","MoKα","","0.0448","0.0348","","","0.0748","0.0798","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504792","21.235","0.017","8.271","0.007","13.904","0.011","90","","92.777","0.011","90","","2439","3","173.1","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26 H27 Br O4 -","- C26 H27 Br O4 -","- C104 H108 Br4 O16 -","4","1","","Yamashita, Shuji; Iso, Kentaro; Hirama, Masahiro","A concise synthesis of the pentacyclic framework of cortistatins.","Organic letters","2008","10","16","3413","3415","10.1021/ol8012099","","","0.7107","MoKα","","","0.0687","","","","0.1967","","","","","","1.012","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504793","8.7123","0.0006","10.2062","0.0009","12.7578","0.0009","90","","106.742","0.004","90","","1086.33","0.15","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H24 Cl N O7 -","- C20 H24 Cl N O7 -","- C40 H48 Cl2 N2 O14 -","2","1","","Tan, Bin; Shi, Zugui; Chua, Pei Juan; Zhong, Guofu","Control of four stereocenters in an organocatalytic domino double Michael reaction: efficient synthesis of multisubstituted cyclopentanes.","Organic letters","2008","10","16","3425","3428","10.1021/ol801246m","","","0.71073","MoKα","","0.0979","0.0518","","","0.0967","0.146","","","","","","1.16","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504794","6.4659","0.0003","8.7955","0.0005","16.9971","0.0008","83.094","0.003","79.232","0.003","79.611","0.002","930.3","0.08","223","","","","","","","","","","Diederich laboratory","4","P -1","-P 1","2","","","","- C17 H20 N6 Si -","- C17 H20 N6 Si -","- C34 H40 N12 Si2 -","2","1","","Jarowski, Peter D.; Wu, Yi-Lin; Schweizer, W. Bernd; Diederich, François","1,2,3-triazoles as conjugative pi-linkers in push-pull chromophores: importance of substituent positioning on intramolecular charge-transfer.","Organic letters","2008","10","15","3347","3350","10.1021/ol801253z","","","0.71073","MoKα","","0.1353","0.0795","","","0.2007","0.2426","","","","","","1.202","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504795","5.6317","0.0005","11.7114","0.0011","12.2524","0.0014","107.758","0.004","96.195","0.005","96.976","0.004","754.87","0.13","223","","","","","","","","","","Diederich laboratory","5","P -1","-P 1","2","","1-(4-(dimethylamino)phenyl)-1H-1,2,3-triazole-4-carbaldehyde chloroform","","- C12 H13 Cl3 N4 O -","- C12 H13 Cl3 N4 O -","- C24 H26 Cl6 N8 O2 -","2","1","","Jarowski, Peter D.; Wu, Yi-Lin; Schweizer, W. Bernd; Diederich, François","1,2,3-triazoles as conjugative pi-linkers in push-pull chromophores: importance of substituent positioning on intramolecular charge-transfer.","Organic letters","2008","10","15","3347","3350","10.1021/ol801253z","","","0.71073","MoKα","","0.0767","0.0576","","","0.1592","0.1782","","","","","","1.145","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504796","12.95","0.002","5.8187","0.0009","14.737","0.002","90","","114.73","0.003","90","","1008.6","0.3","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","07094","","","- C25 H22 N2 O3 -","- C25 H22 N2 O3 -","- C50 H44 N4 O6 -","2","1","","Zhang, Xuejun; Hsung, Richard P.; Li, Hongyan; Zhang, Yu; Johnson, Whitney L.; Figueroa, Ruth","A highly stereoselective synthesis of chiral alpha-amino-beta-lactams via the Kinugasa reaction employing ynamides.","Organic letters","2008","10","16","3477","3479","10.1021/ol801257j","","","0.71073","MoKα","","0.077","0.0415","","","0.0987","0.1219","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504797","7.341","0.003","12.153","0.004","15.548","0.005","90","","90","","90","","1387.1","0.9","173.1","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C18 H20 O2 -","- C18 H20 O2 -","- C72 H80 O8 -","4","1","","Jin, Tienan; Yamamoto, Yoshinori","Gold-catalyzed synthesis of polycyclic enones from carbon tethered 1,3-enynyl carbonyls via tandem heteroenyne metathesis and Nazarov reaction.","Organic letters","2008","10","14","3137","3139","10.1021/ol801265s","","","0.7107","MoKα","","","0.0357","","","","0.089","","","","","","1.002","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504798","11.0861","0.0006","7.6304","0.0004","13.1721","0.0007","90","","98.224","0.003","90","","1102.79","0.1","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H22 Br N O6 -","- C22 H22 Br N O6 -","- C44 H44 Br2 N2 O12 -","2","1","","Tan, Bin; Chua, Pei Juan; Zeng, Xiaofei; Lu, Min; Zhong, Guofu","A highly diastereo- and enantioselective synthesis of multisubstituted cyclopentanes with four chiral carbons by the organocatalytic domino Michael-Henry reaction.","Organic letters","2008","10","16","3489","3492","10.1021/ol801273x","","","0.71073","MoKα","","0.0567","0.0414","","","0.1192","0.1425","","","","","","1.12","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504799","11.183","0.0008","7.6765","0.0004","13.2468","0.0009","90","","98.116","0.002","90","","1125.8","0.13","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H22 F3 N O6 -","- C23 H22 F3 N O6 -","- C46 H44 F6 N2 O12 -","2","1","","Tan, Bin; Chua, Pei Juan; Zeng, Xiaofei; Lu, Min; Zhong, Guofu","A highly diastereo- and enantioselective synthesis of multisubstituted cyclopentanes with four chiral carbons by the organocatalytic domino Michael-Henry reaction.","Organic letters","2008","10","16","3489","3492","10.1021/ol801273x","","","0.71073","MoKα","","0.0937","0.0751","","","0.2011","0.2289","","","","","","1.064","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504800","10.757","0.003","15.673","0.005","15.764","0.005","98.285","0.005","90.679","0.005","95.983","0.005","2614.7","1.4","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C29.38 H19.75 Cl1.5 F6 N2 -","- C29.375 H19.75 Cl1.5 F6 N2 -","- C117.5 H79 Cl6 F24 N8 -","4","2","","Ogle, James W.; Zhang, Jubo; Reibenspies, Joseph H.; Abboud, Khalil A.; Miller, Stephen A.","Synthesis of electronically diverse tetraarylimidazolylidene carbenes via catalytic aldimine coupling.","Organic letters","2008","10","17","3677","3680","10.1021/ol8012765","","","0.71073","MoKα","","0.1056","0.089","","","0.1784","0.1878","","","","","","1.003","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1504801","16.9545","0.0011","23.2586","0.0015","6.5773","0.0004","90","","90","","90","","2593.7","0.3","173","2","173","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C28 H22 Ag Cl3 N2 -","- C28 H22 Ag Cl3 N2 -","- C112 H88 Ag4 Cl12 N8 -","4","0.5","","Ogle, James W.; Zhang, Jubo; Reibenspies, Joseph H.; Abboud, Khalil A.; Miller, Stephen A.","Synthesis of electronically diverse tetraarylimidazolylidene carbenes via catalytic aldimine coupling.","Organic letters","2008","10","17","3677","3680","10.1021/ol8012765","","","0.71073","MoKα","","0.0281","0.0263","","","0.0623","0.063","","","","","","1.035","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504802","17.5486","0.0014","23.6751","0.0019","6.7198","0.0005","90","","90","","90","","2791.8","0.4","173","2","173","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C32 H28 Ag Cl F2 N2 -","- C27 H18 Ag Cl F2 N2 -","- C108 H72 Ag4 Cl4 F8 N8 -","4","0.5","","Ogle, James W.; Zhang, Jubo; Reibenspies, Joseph H.; Abboud, Khalil A.; Miller, Stephen A.","Synthesis of electronically diverse tetraarylimidazolylidene carbenes via catalytic aldimine coupling.","Organic letters","2008","10","17","3677","3680","10.1021/ol8012765","","","0.71073","MoKα","","0.0309","0.0265","","","0.0645","0.0655","","","","","","0.981","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504803","20.2507","0.0013","14.73","0.001","17.8733","0.0012","90","","111.846","0.001","90","","4948.6","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H24 Ag Cl N2 O2 -","- C29 H24 Ag Cl N2 O2 -","- C232 H192 Ag8 Cl8 N16 O16 -","8","1","","Ogle, James W.; Zhang, Jubo; Reibenspies, Joseph H.; Abboud, Khalil A.; Miller, Stephen A.","Synthesis of electronically diverse tetraarylimidazolylidene carbenes via catalytic aldimine coupling.","Organic letters","2008","10","17","3677","3680","10.1021/ol8012765","","","0.71073","MoKα","","0.0481","0.0384","","","0.1066","0.1106","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504804","6.659","0.002","13.924","0.004","15.986","0.004","73.452","0.004","77.98","","76.16","","1363.9","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H22 Ag Cl3 F2 N2 -","- C29 H22 Ag Cl3 F2 N2 -","- C58 H44 Ag2 Cl6 F4 N4 -","2","1","","Ogle, James W.; Zhang, Jubo; Reibenspies, Joseph H.; Abboud, Khalil A.; Miller, Stephen A.","Synthesis of electronically diverse tetraarylimidazolylidene carbenes via catalytic aldimine coupling.","Organic letters","2008","10","17","3677","3680","10.1021/ol8012765","","","0.71073","MoKα","","0.0622","0.0563","","","0.1801","0.1835","","","","","","1.212","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504805","18.7911","0.0014","23.0534","0.0016","6.5177","0.0005","90","","90","","90","","2823.5","0.4","173","2","173","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C30 H26 Ag Cl3 N2 O2 -","- C30 H26 Ag Cl3 N2 O2 -","- C120 H104 Ag4 Cl12 N8 O8 -","4","0.5","","Ogle, James W.; Zhang, Jubo; Reibenspies, Joseph H.; Abboud, Khalil A.; Miller, Stephen A.","Synthesis of electronically diverse tetraarylimidazolylidene carbenes via catalytic aldimine coupling.","Organic letters","2008","10","17","3677","3680","10.1021/ol8012765","","","0.71073","MoKα","","0.0358","0.0308","","","0.0731","0.0748","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504806","13.5773","0.0006","13.5923","0.0006","15.9863","0.0007","87.224","0.001","71.872","0.001","84.466","0.001","2790.2","0.2","243","2","243","2","","","","","","","","6","P -1","-P 1","2","IMes-Pd(dmba)Cl","(chloro (1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene) (k2-N,C-dimethylbenzylamine)palladium (II)","","- C30 H36.5 Cl N3 O0.25 Pd -","- C30 H36.5 Cl N3 O0.25 Pd -","- C120 H146 Cl4 N12 O Pd4 -","4","2","","Kantchev, Eric Assen B.; Peh, Guang-Rong; Zhang, Chi; Ying, Jackie Y.","Practical Heck-Mizoroki coupling protocol for challenging substrates mediated by an N-heterocyclic carbene-ligated palladacycle.","Organic letters","2008","10","18","3949","3952","10.1021/ol8012809","","","0.71073","MoKα","","0.0427","0.0346","","","0.0829","0.0866","","","","","","1.024","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504807","8.277","0.0006","8.6143","0.0007","14.1523","0.0013","103.444","0.002","91.662","0.002","95.1097","0.0019","976.23","0.14","296","1","","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H26 O2 -","- C23 H26 O2 -","- C46 H52 O4 -","2","1","","Lu, Zhan; Chai, Guobi; Zhang, Xiaobing; Ma, Shengming","Controllable Highly Stereoselective Reaction ofin situGenerated Magnesium Dienolate Intermediates with Different Electrophiles","Organic Letters","2008","10","16","3517","","10.1021/ol8012815","","","0.71075","MoKα","","","0.0812","","","","0.2081","","","","","","1.004","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504808","10.3271","0.001","10.9893","0.001","17.4812","0.0016","92.44","0.002","97.881","0.002","113.55","0.002","1791.1","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H33 N O5 -","- C51 H33 N O5 -","- C102 H66 N2 O10 -","2","1","","Carroll, William R.; Pellechia, Perry; Shimizu, Ken D.","A rigid molecular balance for measuring face-to-face arene-arene interactions.","Organic letters","2008","10","16","3547","3550","10.1021/ol801286k","","","0.71073","MoKα","","0.1066","0.053","","","0.1039","0.1244","","","","","","0.847","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504809","12.2428","0.0005","7.1477","0.0003","14.8334","0.0006","90","","101.573","0.001","90","","1271.65","0.09","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 N O3 -","- C16 H11 N O3 -","- C64 H44 N4 O12 -","4","1","","Carroll, William R.; Pellechia, Perry; Shimizu, Ken D.","A rigid molecular balance for measuring face-to-face arene-arene interactions.","Organic letters","2008","10","16","3547","3550","10.1021/ol801286k","","","0.71073","MoKα","","0.042","0.0383","","","0.0988","0.1021","","","","","","1.023","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504810","10.2613","0.0008","11.3569","0.0008","14.5224","0.0011","103.388","0.001","105.69","0.002","92.69","0.002","1574.2","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H29 N O4 -","- C45 H29 N O4 -","- C90 H58 N2 O8 -","2","1","","Carroll, William R.; Pellechia, Perry; Shimizu, Ken D.","A rigid molecular balance for measuring face-to-face arene-arene interactions.","Organic letters","2008","10","16","3547","3550","10.1021/ol801286k","","","0.71073","MoKα","","0.0601","0.0366","","","0.0636","0.0696","","","","","","0.912","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504811","12.221","0.003","9.025","0.002","15.552","0.003","90","","99.129","0.004","90","","1693.6","0.6","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H32 Cl2 N O2 P Pd -","- C38 H32 Cl2 N O2 P Pd -","- C76 H64 Cl4 N2 O4 P2 Pd2 -","2","1","","Zhang, Ting-Ke; Mo, Dong-Liang; Dai, Li-Xin; Hou, Xue-Long","Asymmetric ring-opening reaction of oxabicyclic alkenes with aryl boronic acids catalyzed by P-containing palladacycles.","Organic letters","2008","10","17","3689","3692","10.1021/ol801294b","","","0.71073","MoKα","","0.0927","0.0689","","","0.1604","0.1796","","","","","","0.978","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504812","10.0439","0.0005","16.4876","0.0008","10.983","0.0005","90","","116.068","0.001","90","","1633.76","0.14","90","1","90","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N4 O3 -","- C18 H20 N4 O3 -","- C72 H80 N16 O12 -","4","1","","Wang, Yizhong; Hu, Wen J.; Song, Wenjiao; Lim, Reyna K. V.; Lin, Qing","Discovery of long-wavelength photoactivatable diaryltetrazoles for bioorthogonal 1,3-dipolar cycloaddition reactions.","Organic letters","2008","10","17","3725","3728","10.1021/ol801350r","","","0.71073","MoKα","","0.0386","0.0331","","","0.081","0.0855","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504813","10.6584","0.0003","9.087","0.0003","15.1023","0.0005","90","","103.882","0.001","90","","1419.98","0.08","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H34.5 N2 O5.25 S -","- C30 H34.496 N2 O5.248 S -","- C60 H68.992 N4 O10.496 S2 -","2","1","","Tian, Xu; Jiang, Kun; Peng, Jing; Du, Wei; Chen, Ying-Chun","Organocatalytic stereoselective mannich reaction of 3-substituted oxindoles.","Organic letters","2008","10","16","3583","3586","10.1021/ol801351j","","","0.71073","MoKα","","0.0342","0.0294","","","0.0762","0.0848","","","","","","0.997","","","","has coordinates,has disorder","198673","2020-10-21","18:00:00",""
"1504814","5.845","0.0012","8.847","0.0018","26.65","0.005","90","","94.29","0.03","90","","1374.2","0.5","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","p-cyanobenzenediazonium tosylate (12a)","","","- C14 H11 N3 O3 S -","- C14 H11 N3 O3 S -","- C56 H44 N12 O12 S4 -","4","1","","Filimonov, Victor D.; Trusova, Marina; Postnikov, Pavel; Krasnokutskaya, Elena A.; Lee, Young Min; Hwang, Ho Yun; Kim, Hyunuk; Chi, Ki-Whan","Unusually stable, versatile, and pure arenediazonium tosylates: their preparation, structures, and synthetic applicability.","Organic letters","2008","10","18","3961","3964","10.1021/ol8013528","","","0.8","synchrotronradiation","","0.0438","0.0429","","","0.1242","0.1256","","","","","","1.036","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504815","7.678","0.0015","10.149","0.002","18.657","0.004","77.15","0.03","88.73","0.03","77.04","0.03","1380.7","0.5","90","2","90","2","","","","","","","","6","P -1","-P 1","2","p-iodobenzenediazonium tosylate (15a)","","","- C13 H11 I N2 O3 S -","- C13 H11 I N2 O3 S -","- C52 H44 I4 N8 O12 S4 -","4","2","","Filimonov, Victor D.; Trusova, Marina; Postnikov, Pavel; Krasnokutskaya, Elena A.; Lee, Young Min; Hwang, Ho Yun; Kim, Hyunuk; Chi, Ki-Whan","Unusually stable, versatile, and pure arenediazonium tosylates: their preparation, structures, and synthetic applicability.","Organic letters","2008","10","18","3961","3964","10.1021/ol8013528","","","0.8","synchrotronradiation","","0.0814","0.0793","","","0.2202","0.2253","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504816","7.509","0.0015","7.546","0.0015","13.672","0.003","78.64","0.03","75.67","0.03","75.6","0.03","719.4","0.3","90","2","90","2","","","","","","","","5","P -1","-P 1","2","o-nitrobenzenediazonium tosylate (9a)","","","- C13 H11 N3 O5 S -","- C13 H11 N3 O5 S -","- C26 H22 N6 O10 S2 -","2","1","","Filimonov, Victor D.; Trusova, Marina; Postnikov, Pavel; Krasnokutskaya, Elena A.; Lee, Young Min; Hwang, Ho Yun; Kim, Hyunuk; Chi, Ki-Whan","Unusually stable, versatile, and pure arenediazonium tosylates: their preparation, structures, and synthetic applicability.","Organic letters","2008","10","18","3961","3964","10.1021/ol8013528","","","0.8","synchrotronradiation","","0.0398","0.0392","","","0.122","0.1231","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504817","9.1602","0.0001","9.9973","0.0002","12.4147","0.0002","79.119","0.001","81.756","0.001","72.924","0.001","1062.55","0.03","173","2","173","2","","","","","","","","4","P 1","P 1","1","Bipleiophylline","","","- C49 H52 N4 O9 -","- C49 H52 N4 O9 -","- C49 H52 N4 O9 -","1","1","","Kam, Toh-Seok; Tan, Shin-Jowl; Ng, Seik-Weng; Komiyama, Kanki","Bipleiophylline, an unprecedented cytotoxic bisindole alkaloid constituted from the bridging of two indole moieties by an aromatic spacer unit.","Organic letters","2008","10","17","3749","3752","10.1021/ol801354s","","","0.71073","MoKα","","0.0694","0.0569","","","0.1569","0.1707","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1504818","8.8124","0.0002","9.1581","0.0002","18.5645","0.0005","98.402","0.002","103.073","0.002","96.722","0.002","1426.13","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H42 O3 -","- C34 H42 O3 -","- C68 H84 O6 -","2","1","","Shukla, Ruchi; Wadumethrige, Shriya H.; Lindeman, Sergey V.; Rathore, Rajendra","Synthesis, electronic properties, and X-ray structural characterization of tetrarylbenzo[1,2-b:4,5-b']difuran cation radicals.","Organic letters","2008","10","16","3587","3590","10.1021/ol801356e","","","1.54178","CuKα","","0.0485","0.0389","","","0.1004","0.1049","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504819","11.9744","0.0006","12.3225","0.0007","14.8492","0.0009","65.734","0.003","74.646","0.003","62.175","0.002","1759.28","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H24 Cl8 O2 Sb -","- C35 H24 Cl8 O2 Sb -","- C70 H48 Cl16 O4 Sb2 -","2","1","","Shukla, Ruchi; Wadumethrige, Shriya H.; Lindeman, Sergey V.; Rathore, Rajendra","Synthesis, electronic properties, and X-ray structural characterization of tetrarylbenzo[1,2-b:4,5-b']difuran cation radicals.","Organic letters","2008","10","16","3587","3590","10.1021/ol801356e","","","1.54178","CuKα","","0.0413","0.0344","","","0.0856","0.0882","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504820","6.0367","0.0005","7.511","0.0006","17.581","0.0015","97.099","0.005","94.814","0.005","96.725","0.005","781.67","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H18 O -","- C22 H18 O -","- C44 H36 O2 -","2","1","","Shukla, Ruchi; Wadumethrige, Shriya H.; Lindeman, Sergey V.; Rathore, Rajendra","Synthesis, electronic properties, and X-ray structural characterization of tetrarylbenzo[1,2-b:4,5-b']difuran cation radicals.","Organic letters","2008","10","16","3587","3590","10.1021/ol801356e","","","1.54178","CuKα","","0.0457","0.042","","","0.1087","0.1108","","","","","","0.991","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504821","7.3249","0.0008","11.5799","0.0012","11.8128","0.0012","68.992","0.001","86.057","0.001","78.314","0.001","915.98","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H30 Cl6 O6 Sb -","- C38 H30 Cl6 O6 Sb -","- C38 H30 Cl6 O6 Sb -","1","0.5","","Shukla, Ruchi; Wadumethrige, Shriya H.; Lindeman, Sergey V.; Rathore, Rajendra","Synthesis, electronic properties, and X-ray structural characterization of tetrarylbenzo[1,2-b:4,5-b']difuran cation radicals.","Organic letters","2008","10","16","3587","3590","10.1021/ol801356e","","","0.71073","MoKα","","0.032","0.0274","","","0.0703","0.0726","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504822","7.6547","0.0009","7.7335","0.0009","24.521","0.003","90","","94.224","0.002","90","","1447.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H30 O6 -","- C38 H30 O6 -","- C76 H60 O12 -","2","0.5","","Shukla, Ruchi; Wadumethrige, Shriya H.; Lindeman, Sergey V.; Rathore, Rajendra","Synthesis, electronic properties, and X-ray structural characterization of tetrarylbenzo[1,2-b:4,5-b']difuran cation radicals.","Organic letters","2008","10","16","3587","3590","10.1021/ol801356e","","","0.71073","MoKα","","0.0524","0.0466","","","0.1304","0.1359","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504823","9.5994","0.0009","10.9712","0.0011","11.9451","0.0012","93.73","0.001","106.46","0.001","95.153","0.002","1196.2","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H22 O2 -","- C34 H22 O2 -","- C68 H44 O4 -","2","1","","Shukla, Ruchi; Wadumethrige, Shriya H.; Lindeman, Sergey V.; Rathore, Rajendra","Synthesis, electronic properties, and X-ray structural characterization of tetrarylbenzo[1,2-b:4,5-b']difuran cation radicals.","Organic letters","2008","10","16","3587","3590","10.1021/ol801356e","","","0.71073","MoKα","","0.066","0.0488","","","0.1296","0.1386","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504824","17.6","0.005","6.1125","0.0016","17.536","0.005","90","","99.252","0.004","90","","1862","0.9","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 O3 -","- C24 H22 O3 -","- C96 H88 O12 -","4","1","","Shukla, Ruchi; Wadumethrige, Shriya H.; Lindeman, Sergey V.; Rathore, Rajendra","Synthesis, electronic properties, and X-ray structural characterization of tetrarylbenzo[1,2-b:4,5-b']difuran cation radicals.","Organic letters","2008","10","16","3587","3590","10.1021/ol801356e","","","0.71073","MoKα","","0.09","0.0744","","","0.2058","0.2213","","","","","","0.999","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504825","12.13","0.02","5.926","0.011","15.66","0.03","90","","102.295","0.011","90","","1100","3","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 F6 O2 -","- C30 H16 F6 O2 -","- C60 H32 F12 O4 -","2","0.5","","Zhang, Hongyu; Wakamiya, Atsushi; Yamaguchi, Shigehiro","Highly electron-donating 3,3'-diaryl-1,1'-bi(isobenzofuran)s synthesized by photochemical exocyclic [2 + 2 + 2] cycloaddition.","Organic letters","2008","10","16","3591","3594","10.1021/ol801358c","","","0.7107","MoKα","","0.1073","0.0898","","","0.2429","0.2751","","","","","","1.121","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504826","9.357","0.005","12.657","0.006","14.014","0.007","71.596","0.017","83.61","0.02","88.76","0.02","1564.9","1.4","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H38 O9 -","- C38 H38 O9 -","- C76 H76 O18 -","2","1","","Zhang, Hongyu; Wakamiya, Atsushi; Yamaguchi, Shigehiro","Highly electron-donating 3,3'-diaryl-1,1'-bi(isobenzofuran)s synthesized by photochemical exocyclic [2 + 2 + 2] cycloaddition.","Organic letters","2008","10","16","3591","3594","10.1021/ol801358c","","","0.7107","MoKα","","0.1178","0.0685","","","0.1673","0.1906","","","","","","0.902","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504827","9.842","0.005","5.413","0.003","22.998","0.011","90","","92.559","0.006","90","","1224","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H18 O2 S4 -","- C32 H18 O2 S4 -","- C64 H36 O4 S8 -","2","0.5","","Zhang, Hongyu; Wakamiya, Atsushi; Yamaguchi, Shigehiro","Highly electron-donating 3,3'-diaryl-1,1'-bi(isobenzofuran)s synthesized by photochemical exocyclic [2 + 2 + 2] cycloaddition.","Organic letters","2008","10","16","3591","3594","10.1021/ol801358c","","","0.7107","MoKα","","0.0984","0.0855","","","0.2256","0.2318","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504828","10.4475","0.001","8.2843","0.0008","19.373","0.0019","90","","103.837","0.001","90","","1628.1","0.3","291","2","291","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 S3 -","- C18 H14 S3 -","- C72 H56 S12 -","4","1","","Li, Xiaochuan; Ma, Yuzhen; Wang, Bingcai; Li, Gongan","""Lock and key control"" of photochromic reactivity by controlling the oxidation/reduction state.","Organic letters","2008","10","16","3639","3642","10.1021/ol8013655","","","0.71073","MoKα","","0.0393","0.0332","","","0.0899","0.095","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504829","7.6034","0.0009","12.87","0.0015","9.4298","0.0011","90","","110.788","0.001","90","","862.69","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H14 O4 S3 -","- C18 H14 O4 S3 -","- C36 H28 O8 S6 -","2","1","","Li, Xiaochuan; Ma, Yuzhen; Wang, Bingcai; Li, Gongan","""Lock and key control"" of photochromic reactivity by controlling the oxidation/reduction state.","Organic letters","2008","10","16","3639","3642","10.1021/ol8013655","","","0.71073","MoKα","","0.0352","0.0309","","","0.0687","0.0715","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504830","7.739","0.0016","6.5756","0.0014","19.227","0.004","90","","90.007","0.003","90","","978.4","0.4","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3a-hydroxy-2-methyl-3a,3b,4,5,6,7a-hexahydro-1H-cyclopenta[a]pentalen-1-one","","- C12 H14 O2 -","- C12 H14 O2 -","- C48 H56 O8 -","4","1","","Li, Lei; McDonald, Robert; West, F. G.","Concise route to triquinanes from pyran-2-ones.","Organic letters","2008","10","17","3733","3736","10.1021/ol8013683","","","0.71073","MoKα","","0.0537","0.0446","","","0.1176","0.1256","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504831","10.6304","0.0008","10.118","0.0008","22.5404","0.0017","90","","92.48","0.001","90","","2422.1","0.3","115","2","115","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 N3 O5 -","- C25 H31 N3 O5 -","- C100 H124 N12 O20 -","4","1","","Imai, Yoshitane; Murata, Katuzo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","2D layered supramolecular host system derived from a 21-helical column, composed of 1,2-diphenylethylenediamine and N-phenyliminodiacetic acid.","Organic letters","2008","10","17","3821","3824","10.1021/ol801374g","","","0.71073","MoKα","","0.067","0.0508","","","0.1154","0.1241","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504832","10.5997","0.0007","10.0573","0.0007","23.877","0.0017","90","","97.594","0.001","90","","2523.1","0.3","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25.25 H32 N3 O5.25 -","- C25.25 H30.75 N3 O5.25 -","- C101 H123 N12 O21 -","4","2","","Imai, Yoshitane; Murata, Katuzo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","2D layered supramolecular host system derived from a 21-helical column, composed of 1,2-diphenylethylenediamine and N-phenyliminodiacetic acid.","Organic letters","2008","10","17","3821","3824","10.1021/ol801374g","","","0.71073","MoKα","","0.0745","0.0636","","","0.1476","0.1549","","","","","","1.052","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1504833","23.871","0.002","10.0306","0.0009","10.6407","0.0009","90","","90","","90","","2547.8","0.4","120","2","120","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C26 H33 N3 O5 -","- C26 H33 N3 O5 -","- C104 H132 N12 O20 -","4","1","","Imai, Yoshitane; Murata, Katuzo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","2D layered supramolecular host system derived from a 21-helical column, composed of 1,2-diphenylethylenediamine and N-phenyliminodiacetic acid.","Organic letters","2008","10","17","3821","3824","10.1021/ol801374g","","","0.71073","MoKα","","0.0869","0.0749","","","0.1533","0.1584","","","","","","1.157","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504834","8.0671","0.0001","12.5459","0.0001","15.4229","0.0002","83.045","0.001","83.617","0.001","81.899","0.001","1526.94","0.03","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","RajanBabu 1635","","","- C35 H41 B O7 -","- C35 H41 B O7 -","- C70 H82 B2 O14 -","2","1","","Singidi, Ramakrishna Reddy; RajanBabu, T. V.","Catalyzed cyclizations leading to enrichment of functionality and chirality. A general approach to dibenzocyclooctadiene lignans from alpha,omega-diynes.","Organic letters","2008","10","15","3351","3354","10.1021/ol8013792","","x-ray","0.71073","MoKα","","0.0451","0.0364","","","0.0906","0.0954","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504835","9.2012","0.0008","9.6796","0.0008","21.1948","0.0017","90","","93.783","0.001","90","","1883.6","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H52 N2 O12 -","- C38 H52 N2 O12 -","- C76 H104 N4 O24 -","2","1","","Deng, Zhang-Shuang; Zhao, Yu; He, Cui-Cui; Jin, Jie; He, Yun-Mian; Li, Jian-Xin","pH-dependent, stereoselective dimerization of sinomenine.","Organic letters","2008","10","17","3879","3882","10.1021/ol801403k","","","0.71073","MoKα","","0.0652","0.0448","","","0.0933","0.102","","","","","","0.916","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1504836","9.6645","0.0007","14.125","0.001","20.717","0.001","75.165","0.006","87.153","0.006","69.688","0.007","2561.4","0.3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C58.5 H64 Cl F6 N2 P -","- C58 H60 Cl F6 N2 P -","- C116 H120 Cl2 F12 N4 P2 -","2","1","","Bouit, Pierre-Antoine; Di Piazza, Emmanuel; Rigaut, Stéphane; Le Guennic, Boris; Aronica, Christophe; Toupet, Loïc; Andraud, Chantal; Maury, Olivier","Stable near-infrared anionic polymethine dyes: structure, photophysical, and redox properties.","Organic letters","2008","10","19","4159","4162","10.1021/ol801416n","","","0.71069","MoKα","","0.152","0.0499","","","0.1125","0.128","","","","","","0.729","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504837","10.986","0.005","12.668","0.005","14.858","0.005","104.097","0.005","106.481","0.005","98.75","0.005","1867.9","1.3","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H44 Cl N6 Na O5 -","- C37.5 H39.5 Cl N6 Na O5 -","- C75 H79 Cl2 N12 Na2 O10 -","2","1","","Bouit, Pierre-Antoine; Di Piazza, Emmanuel; Rigaut, Stéphane; Le Guennic, Boris; Aronica, Christophe; Toupet, Loïc; Andraud, Chantal; Maury, Olivier","Stable near-infrared anionic polymethine dyes: structure, photophysical, and redox properties.","Organic letters","2008","10","19","4159","4162","10.1021/ol801416n","","","0.71069","MoKα","","0.1354","0.0862","","0.1025","0.0774","0.0774","","","","","","1.1432","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504838","23.1455","0.0014","14.6173","0.0008","27.1871","0.0016","90","","106.2","0.004","90","","8832.8","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H41 B O10 -","- C28 H41 B O10 -","- C336 H492 B12 O120 -","12","3","","Marco-Martínez, Juan; Buñuel, Elena; Muñoz-Rodríguez, Rebeca; Cárdenas, Diego J","Pd-catalyzed borylative polycyclization of enediynes to allylboronates.","Organic letters","2008","10","16","3619","3621","10.1021/ol801424m","","","0.71073","MoKα","","0.0866","0.0503","","","0.1297","0.1662","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504839","13.769","0.002","11.3446","0.0017","19.385","0.003","90","","107.107","0.003","90","","2894","0.8","193","2","193","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C54 H84 O4 Si4 -","- C54 H84 O4 Si4 -","- C108 H168 O8 Si8 -","2","0.5","","Chung, Mee-Kyung; Lightbody, Owen C.; Stryker, Jeffrey M.","Ortho-silylated derivatives of tetrakis(2-hydroxyphenyl)ethene: a sterically isolated structural model for oxo-surface binding domains.","Organic letters","2008","10","17","3825","3828","10.1021/ol801427w","","","0.71073","MoKα","","0.0875","0.0586","","","0.1581","0.1741","","","","","","1.041","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504840","7.249","0.0005","10.8247","0.0008","16.9512","0.0011","83.225","0.002","89.079","0.002","79.998","0.001","1300.75","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H31 N2 O2.5 P -","- C29 H31 N2 O2.5 P -","- C58 H62 N4 O5 P2 -","2","1","","Ruiz-Gómez, Gloria; Francesch, Andrés; Iglesias, María José; López-Ortiz, Fernando; Cuevas, Carmen; Serrano-Ruiz, Manuel","Dearomatizing anionic cyclization of phosphonamides. A route to phosphonic acid derivatives with antitumor properties.","Organic letters","2008","10","18","3981","3984","10.1021/ol801463g","","","0.71069","MoKα","","0.0994","0.081","","","0.2015","0.217","","","","","","1.264","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504841","11.6003","0.0012","13.1387","0.0013","19.295","0.002","107.273","0.003","93.096","0.003","109.039","0.003","2617.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29.25 H31 N2 O2.25 P -","- C29.25 H31 N2 O2.25 P -","- C117 H124 N8 O9 P4 -","4","2","","Ruiz-Gómez, Gloria; Francesch, Andrés; Iglesias, María José; López-Ortiz, Fernando; Cuevas, Carmen; Serrano-Ruiz, Manuel","Dearomatizing anionic cyclization of phosphonamides. A route to phosphonic acid derivatives with antitumor properties.","Organic letters","2008","10","18","3981","3984","10.1021/ol801463g","","","0.71073","MoKα","","0.12","0.0705","","","0.1716","0.2025","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504842","16.5336","0.0013","6.9286","0.0005","18.8474","0.0014","90","","93.033","0.002","90","","2156","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 N2 O P -","- C26 H27 N2 O P -","- C104 H108 N8 O4 P4 -","4","1","","Ruiz-Gómez, Gloria; Francesch, Andrés; Iglesias, María José; López-Ortiz, Fernando; Cuevas, Carmen; Serrano-Ruiz, Manuel","Dearomatizing anionic cyclization of phosphonamides. A route to phosphonic acid derivatives with antitumor properties.","Organic letters","2008","10","18","3981","3984","10.1021/ol801463g","","","0.71069","MoKα","","0.0628","0.0409","","","0.0713","0.0763","","","","","","0.895","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504843","12.0801","0.0014","13.1806","0.0015","13.6258","0.0016","95.3146","0.0018","115.297","0.0016","116.208","0.0016","1650.6","0.3","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","13-(4-methylphenylethynyl)-6-(triisopropylethynyl)pentacene","","- C42 H40 Si -","- C42 H40 Si -","- C84 H80 Si2 -","2","1","","Lehnherr, Dan; McDonald, Robert; Tykwinski, Rik R.","Exploring electronically polarized pentacenes.","Organic letters","2008","10","19","4163","4166","10.1021/ol801464k","","","0.71073","MoKα","","0.0726","0.0553","","","0.1392","0.1529","","","","","","1.039","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504844","9.41594","0.00017","9.23042","0.00017","17.4324","0.0003","90","","102.54","0.001","90","","1478.96","0.05","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Benzyl-4-phenyl-1,5,6,7-tetrahydro-[1]pyrindin-2-one","","- C19 H17 N O -","- C19 H17 N O -","- C76 H68 N4 O4 -","4","1","","Imase, Hidetomo; Noguchi, Keiichi; Hirano, Masao; Tanaka, Ken","Convergent and rapid assembly of substituted 2-pyridones through formation of N-alkenyl alkynylamides followed by gold-catalyzed cycloisomerization.","Organic letters","2008","10","16","3563","3566","10.1021/ol801466f","","","1.54187","CuKα","","0.0426","0.0397","","","0.1088","0.1113","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504845","8.0444","0.0006","10.8324","0.0007","11.7001","0.0008","86.0553","0.0009","78.336","0.0009","73.0379","0.0009","955.01","0.11","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","t-butyl (2E)-(1-(4-methylphenyl)sulfonyl-3-oxoazepan-2-ylidene)acetate","","- C19 H25 N O5 S -","- C19 H25 N O5 S -","- C38 H50 N2 O10 S2 -","2","1","","Grant, Tina N.; Benson, Chantel L.; West, F. G.","Ring expansion of lactones and lactams via propiolate 1-carbon intercalation.","Organic letters","2008","10","18","3985","3988","10.1021/ol8014682","","","0.71073","MoKα","","0.0408","0.0378","","","0.1015","0.1048","","","","","","1.065","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504846","22.629","0.002","15.2721","0.0016","15.4352","0.0016","90","","113.893","0.002","90","","4877.2","0.8","170","2","443","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Hg N6 O7 S -","- C22 H16 Hg N6 O7 S -","- C176 H128 Hg8 N48 O56 S8 -","8","1","","Lee, Jeong Won; Jung, Hyo Sung; Kwon, Pil Seung; Kim, Jong Wan; Bartsch, Richard A.; Kim, Youngmee; Kim, Sung-Jin; Kim, Jong Seung","Chromofluorescent indicator for intracellular Zn2+/Hg2+ dynamic exchange.","Organic letters","2008","10","17","3801","3804","10.1021/ol801482n","","","0.71073","MoKα","","0.0717","0.0458","","","0.1023","0.1059","","","","","","0.905","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504847","5.271","0.002","15.344","0.006","17.466","0.006","90","","90","","90","","1412.6","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 Br O4 -","- C14 H13 Br O4 -","- C56 H52 Br4 O16 -","4","1","","He, Ming; Beahm, Brendan J.; Bode, Jeffrey W.","Chiral NHC-catalyzed oxodiene Diels-Alder reactions with alpha-chloroaldehyde bisulfite salts.","Organic letters","2008","10","17","3817","3820","10.1021/ol801502h","","","0.71073","MoKα","","0.2382","0.0544","","","0.1118","0.1457","","","","","","0.745","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504848","5.5454","0.0017","18.341","0.005","18.463","0.005","90","","90","","90","","1877.8","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 Br O4 -","- C21 H19 Br O4 -","- C84 H76 Br4 O16 -","4","1","","He, Ming; Beahm, Brendan J.; Bode, Jeffrey W.","Chiral NHC-catalyzed oxodiene Diels-Alder reactions with alpha-chloroaldehyde bisulfite salts.","Organic letters","2008","10","17","3817","3820","10.1021/ol801502h","","","0.71073","MoKα","","0.2831","0.0521","","","0.1083","0.1602","","","","","","0.669","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504849","9.5418","0.0003","13.7866","0.0004","15.7652","0.0005","90","","90","","90","","2073.9","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 N2 O5 -","- C26 H20 N2 O5 -","- C104 H80 N8 O20 -","4","1","","Movassaghi, Mohammad; Schmidt, Michael A.; Ashenhurst, James A.","Stereoselective oxidative rearrangement of 2-aryl tryptamine derivatives.","Organic letters","2008","10","18","4009","4012","10.1021/ol8015176","","","0.71073","MoKα","","0.0308","0.0301","","","0.0804","0.0813","","","","","","1.048","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504850","6.0684","0.0002","8.3967","0.0003","29.0292","0.0008","90","","95.6566","0.0013","90","","1471.97","0.08","90","","90","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H41 N O15 -","- C26 H41 N O15 -","- C52 H82 N2 O30 -","2","1","","Watanabe, Toru; Hirai, Go; Kato, Marie; Hashizume, Daisuke; Miyagi, Taeko; Sodeoka, Mikiko","Synthesis of CH2-linked alpha(2,3)sialylgalactose analogue: on the stereoselectivity of the key Ireland-Claisen rearrangement.","Organic letters","2008","10","19","4167","4170","10.1021/ol801519j","","","0.71073","MoKα","","0.0482","0.0363","","","0.0879","0.0934","","","","","","1.032","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504851","10.1637","0.0001","11.412","0.0004","17.2254","0.0002","67.23","0.01","71.58","0.01","65.98","0.01","1652.66","0.17","150.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H44 O2 S2 -","- C36 H44 O2 S2 -","- C72 H88 O4 S4 -","2","1","","Kurata, Hiroyuki; Kim, Sang; Fujimoto, Takahisa; Matsumoto, Kouzou; Kawase, Takeshi; Kubo, Takashi","Synthesis and functionalization of 3,3'-bis(spirodienone)-bridged 2,2'-bithiophene: a new building block for redox-active molecular switching materials.","Organic letters","2008","10","17","3837","3840","10.1021/ol8015379","","","0.7107","MoKα","","","0.0637","","","","0.2059","","","","","","0.834","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504852","8.548","0.009","25.63","0.03","27.7","0.03","90","","90","","90","","6069","12","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H42 Br N O3 Si -","- C27 H42 Br N O3 Si -","- C216 H336 Br8 N8 O24 Si8 -","8","2","","Nishimura, Takahiro; Tsurumaki, Eiji; Kawamoto, Takahiro; Guo, Xun-Xiang; Hayashi, Tamio","Rhodium-catalyzed asymmetric ring-opening alkynylation of azabenzonorbornadienes.","Organic letters","2008","10","18","4057","4060","10.1021/ol801549t","","","0.71075","MoKα","","0.1895","0.0661","","","0.1555","0.1937","","","","","","0.851","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504853","6.007","0.0004","7.2054","0.0005","19.6209","0.0012","94.782","0.003","90.372","0.003","94.074","0.003","844.09","0.1","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H28 F10 S2 -","- C43 H28 F10 S2 -","- C43 H28 F10 S2 -","1","0.5","","Wang, Yongfeng; Parkin, Sean R.; Watson, Mark D.","Benzodichalcogenophenes with perfluoroarene termini.","Organic letters","2008","10","20","4421","4424","10.1021/ol801569m","","","1.54178","CuKα","","0.0362","0.0346","","","0.0911","0.0926","","","","","","1.067","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504854","6.3778","0.0005","7.8235","0.0006","10.9923","0.0008","88.429","0.003","77.042","0.003","76.84","0.003","520.31","0.07","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H4 F14 S2 -","- C24 H4 F14 S2 -","- C24 H4 F14 S2 -","1","0.5","","Wang, Yongfeng; Parkin, Sean R.; Watson, Mark D.","Benzodichalcogenophenes with perfluoroarene termini.","Organic letters","2008","10","20","4421","4424","10.1021/ol801569m","","","1.54178","CuKα","","0.0559","0.0528","","","0.1348","0.1394","","","","","","1.017","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504855","4.6213","0.0008","15.382","0.003","15.43","0.003","82.659","0.011","85.21","0.008","88.615","0.01","1083.9","0.4","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H52 F10 O2 S2 -","- C46 H52 F10 O2 S2 -","- C46 H52 F10 O2 S2 -","1","0.5","","Wang, Yongfeng; Parkin, Sean R.; Watson, Mark D.","Benzodichalcogenophenes with perfluoroarene termini.","Organic letters","2008","10","20","4421","4424","10.1021/ol801569m","","","1.54178","CuKα","","0.1563","0.1063","","","0.3197","0.3598","","","","","","1.083","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504856","4.9512","0.0003","12.2405","0.0008","18.757","0.0012","82.721","0.003","83.697","0.003","85.574","0.003","1118.48","0.12","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H52 F14 O2 S2 -","- C48 H52 F14 O2 S2 -","- C48 H52 F14 O2 S2 -","1","0.5","","Wang, Yongfeng; Parkin, Sean R.; Watson, Mark D.","Benzodichalcogenophenes with perfluoroarene termini.","Organic letters","2008","10","20","4421","4424","10.1021/ol801569m","","","1.54178","CuKα","","0.0756","0.0596","","","0.1445","0.1569","","","","","","1.076","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504857","7.178","0.0005","7.9513","0.0004","9.4507","0.0005","98.625","0.003","93.623","0.003","105.298","0.003","511.4","0.05","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H8 F10 O2 S2 -","- C24 H8 F10 O2 S2 -","- C24 H8 F10 O2 S2 -","1","0.5","","Wang, Yongfeng; Parkin, Sean R.; Watson, Mark D.","Benzodichalcogenophenes with perfluoroarene termini.","Organic letters","2008","10","20","4421","4424","10.1021/ol801569m","","","1.54178","CuKα","","0.0854","0.077","","","0.2498","0.2629","","","","","","1.131","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504858","5.0006","0.0004","11.524","0.0008","11.8344","0.0008","61.515","0.002","88.052","0.003","82.59","0.003","594.12","0.08","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H8 F14 O2 S2 -","- C26 H8 F14 O2 S2 -","- C26 H8 F14 O2 S2 -","1","0.5","","Wang, Yongfeng; Parkin, Sean R.; Watson, Mark D.","Benzodichalcogenophenes with perfluoroarene termini.","Organic letters","2008","10","20","4421","4424","10.1021/ol801569m","","","1.54178","CuKα","","0.0464","0.0407","","","0.1048","0.1133","","","","","","1.093","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504859","8.0496","0.0004","8.7262","0.0005","15.3591","0.0008","90.647","0.002","98.346","0.002","101.226","0.002","1046.14","0.1","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H44 F10 S2 Si2 -","- C44 H44 F10 S2 Si2 -","- C44 H44 F10 S2 Si2 -","1","0.5","","Wang, Yongfeng; Parkin, Sean R.; Watson, Mark D.","Benzodichalcogenophenes with perfluoroarene termini.","Organic letters","2008","10","20","4421","4424","10.1021/ol801569m","","","1.54178","CuKα","","0.0541","0.0495","","","0.1139","0.1176","","","","","","1.11","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504860","8.262","0.0002","9.4062","0.0002","15.0435","0.0004","89.982","0.001","95.587","0.0011","107.611","0.0011","1108.48","0.05","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H44 F14 S2 Si2 -","- C46 H44 F14 S2 Si2 -","- C46 H44 F14 S2 Si2 -","1","0.5","","Wang, Yongfeng; Parkin, Sean R.; Watson, Mark D.","Benzodichalcogenophenes with perfluoroarene termini.","Organic letters","2008","10","20","4421","4424","10.1021/ol801569m","","","0.71073","MoKα","","0.0915","0.0474","","","0.1118","0.1294","","","","","","1.017","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504861","9.9914","0.0007","4.9183","0.0004","21.0138","0.0016","90","","102.932","0.005","90","","1006.44","0.13","90","0.2","90","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H8 F8 N2 O2 S2 -","- C22 H8 F8 N2 O2 S2 -","- C44 H16 F16 N4 O4 S4 -","2","0.5","","Wang, Yongfeng; Parkin, Sean R.; Watson, Mark D.","Benzodichalcogenophenes with perfluoroarene termini.","Organic letters","2008","10","20","4421","4424","10.1021/ol801569m","","","1.54178","CuKα","","0.0508","0.0368","","","0.0882","0.0969","","","","","","1.019","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504862","10.7957","0.0003","7.0119","0.0002","12.5382","0.0003","90","","92.3999","0.0019","90","","948.29","0.04","173","","173","0.1","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C15 H30 O6 Si -","- C15 H30 O6 Si -","- C30 H60 O12 Si2 -","2","1","","Aho, Jatta E.; Salomäki, Elina; Rissanen, Kari; Pihko, Petri M.","Synthetic studies toward pectenotoxin 2. Part I. Stereocontrolled access to the C10-C22 fragment.","Organic letters","2008","10","19","4179","4182","10.1021/ol8015868","","x-ray","0.71073","MoKα","","0.0648","0.0531","","","0.1021","0.1096","","","","","","1.132","","","","has coordinates","288255","2023-12-12","15:40:10",""
"1504863","5.9307","0.0012","26.138","0.006","3.9251","0.0008","90","","90","","90","","608.5","0.2","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C14 H8 Br2 O2 -","- C14 H8 Br2 O2 -","- C28 H16 Br4 O4 -","2","0.5","","Kawasaki, Tsuneomi; Harada, Yuuki; Suzuki, Kenta; Tobita, Takayuki; Florini, Nicola; Pályi, Gyula; Soai, Kenso","Enantioselective synthesis utilizing enantiomorphous organic crystal of achiral benzils as a source of chirality in asymmetric autocatalysis.","Organic letters","2008","10","18","4085","4088","10.1021/ol801600y","","","0.71073","MoKα","","0.0526","0.0495","","","0.1377","0.1388","","","","","","1.178","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504864","6.7127","0.0004","8.2313","0.0005","15.3438","0.0009","88.073","0.002","88.545","0.002","79.245","0.002","832.29","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H19 F O2 -","- C21 H19 F O2 -","- C42 H38 F2 O4 -","2","1","","Das, Arindam; Chang, Hsu-Kai; Yang, Cheng-Hua; Liu, Rai-Shung","Platinum- and gold-catalyzed hydrative carbocyclization of oxo diynes for one-pot synthesis of benzopyrones and bicyclic spiro ketones.","Organic letters","2008","10","18","4061","4064","10.1021/ol801601q","","","0.71073","MoKα","","0.0788","0.0473","","","0.1098","0.1352","","","","","","0.913","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504865","11.5238","0.0003","8.6194","0.0002","16.6138","0.0005","90","","102.182","0.001","90","","1613.06","0.07","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 O3 -","- C20 H16 O3 -","- C80 H64 O12 -","4","1","","Chen, Guofei; Zeng, Rong; Gu, Zhenhua; Fu, Chunling; Ma, Shengming","Pd(OAc)2-catalyzed cyclization of 2,3-allenoic acids in the presence of terminal alpha,beta-unsaturated alkynones: a one-pot highly stereoselective synthesis of 4-(3'-oxo-1'(E)-alkenyl)-2(5H)-furanones.","Organic letters","2008","10","19","4235","4238","10.1021/ol801610w","","","0.71073","MoKα","","0.041","0.0349","","","0.094","0.1025","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504866","17.355","0.003","5.8125","0.0009","16.063","0.003","90","","90","","90","","1620.4","0.5","208","2","208","2","","","","","","","","5","P n a 21","P 2c -2n","33","BJA-692","","","- C17 H17 B I P -","- C17 H17 B I P -","- C68 H68 B4 I4 P4 -","4","1","","Anderson, Brian J.; Guino-o, Marites A; Glueck, David S.; Golen, James A.; DiPasquale, Antonio G.; Liable-Sands, Louise M; Rheingold, Arnold L.","Platinum-catalyzed enantioselective tandem alkylation/arylation of primary phosphines. Asymmetric synthesis of P-stereogenic 1-phosphaacenaphthenes.","Organic letters","2008","10","20","4425","4428","10.1021/ol801616s","","","0.71073","MoKα","","0.0384","0.0354","","","0.0922","0.0947","","","","","","1.07","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1504867","13.569","0.003","7.0005","0.0017","15.273","0.004","90","","90.503","0.004","90","","1450.7","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 I P -","- C17 H14 I P -","- C68 H56 I4 P4 -","4","1","","Anderson, Brian J.; Guino-o, Marites A; Glueck, David S.; Golen, James A.; DiPasquale, Antonio G.; Liable-Sands, Louise M; Rheingold, Arnold L.","Platinum-catalyzed enantioselective tandem alkylation/arylation of primary phosphines. Asymmetric synthesis of P-stereogenic 1-phosphaacenaphthenes.","Organic letters","2008","10","20","4425","4428","10.1021/ol801616s","","","0.71073","MoKα","","0.0505","0.032","","","0.0536","0.0556","","","","","","0.769","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504868","17.726","0.003","5.6695","0.0011","15.75","0.003","90","","90","","90","","1582.8","0.5","203","2","203","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H17 B Br P -","- C17 H17 B Br P -","- C68 H68 B4 Br4 P4 -","4","1","","Anderson, Brian J.; Guino-o, Marites A; Glueck, David S.; Golen, James A.; DiPasquale, Antonio G.; Liable-Sands, Louise M; Rheingold, Arnold L.","Platinum-catalyzed enantioselective tandem alkylation/arylation of primary phosphines. Asymmetric synthesis of P-stereogenic 1-phosphaacenaphthenes.","Organic letters","2008","10","20","4425","4428","10.1021/ol801616s","","","0.71073","MoKα","","0.0437","0.0368","","","0.084","0.0874","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504869","6.287","0.0003","12.6614","0.0005","22.687","0.0009","90","","90","","90","","1805.94","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","BJA-978","","","- C22 H22 B Fe P -","- C22 H22 B Fe P -","- C88 H88 B4 Fe4 P4 -","4","1","","Anderson, Brian J.; Guino-o, Marites A; Glueck, David S.; Golen, James A.; DiPasquale, Antonio G.; Liable-Sands, Louise M; Rheingold, Arnold L.","Platinum-catalyzed enantioselective tandem alkylation/arylation of primary phosphines. Asymmetric synthesis of P-stereogenic 1-phosphaacenaphthenes.","Organic letters","2008","10","20","4425","4428","10.1021/ol801616s","","","1.54178","CuKα","","0.0547","0.0492","","","0.1323","0.1355","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504870","9.9633","0.001","12.6914","0.0012","23.225","0.002","90","","90","","90","","2936.8","0.5","208","2","208","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 B P -","- C17 H16 B P -","- C136 H128 B8 P8 -","8","2","","Anderson, Brian J.; Guino-o, Marites A; Glueck, David S.; Golen, James A.; DiPasquale, Antonio G.; Liable-Sands, Louise M; Rheingold, Arnold L.","Platinum-catalyzed enantioselective tandem alkylation/arylation of primary phosphines. Asymmetric synthesis of P-stereogenic 1-phosphaacenaphthenes.","Organic letters","2008","10","20","4425","4428","10.1021/ol801616s","","","0.71073","MoKα","","0.0643","0.0438","","","0.0974","0.1097","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504871","8.0128","0.0009","21.296","0.003","12.4433","0.0015","90","","91.725","0.002","90","","2122.4","0.5","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H20 P2 -","- C28 H20 P2 -","- C112 H80 P8 -","4","2","","Anderson, Brian J.; Guino-o, Marites A; Glueck, David S.; Golen, James A.; DiPasquale, Antonio G.; Liable-Sands, Louise M; Rheingold, Arnold L.","Platinum-catalyzed enantioselective tandem alkylation/arylation of primary phosphines. Asymmetric synthesis of P-stereogenic 1-phosphaacenaphthenes.","Organic letters","2008","10","20","4425","4428","10.1021/ol801616s","","","0.71073","MoKα","","0.0376","0.0347","","","0.0916","0.0938","","","","","","1.334","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504872","6.4028","0.0001","11.4281","0.0003","14.5733","0.0003","90","","91.0892","0.0015","90","","1066.16","0.04","200","","200","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C21 H36 O3 Si -","- C21 H36 O3 Si -","- C42 H72 O6 Si2 -","2","1","","Austin, Kerrie A. B.; Banwell, Martin G.; Willis, Anthony C.","A formal total synthesis of platencin.","Organic letters","2008","10","20","4465","4468","10.1021/ol801647h","","","0.71073","MoKα","","0.0389","0.0293","","0.0358","0.0322","0.0322","","","","","","1.1161","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504873","6.3608","0.0001","14.1828","0.0003","14.8678","0.0004","90","","90","","90","","1341.28","0.05","200","","200","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Austin, Kerrie A. B.; Banwell, Martin G.; Willis, Anthony C.","A formal total synthesis of platencin.","Organic letters","2008","10","20","4465","4468","10.1021/ol801647h","","","0.71073","MoKα","","0.0342","0.0288","","0.0339","0.0324","0.0324","","","","","","1.1453","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504874","6.2293","0.0001","16.5761","0.0003","6.7802","0.0001","90","","107.302","0.0011","90","","668.428","0.019","200","","200","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C30 H44 O6 -","2","1","","Austin, Kerrie A. B.; Banwell, Martin G.; Willis, Anthony C.","A formal total synthesis of platencin.","Organic letters","2008","10","20","4465","4468","10.1021/ol801647h","","","0.71073","MoKα","","0.0331","0.0289","","0.0341","0.0322","0.0322","","","","","","1.1341","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504875","20.1825","0.0006","8.7994","0.0002","7.8934","0.0002","90","","104.758","0.0016","90","","1355.57","0.06","200","","200","","","","","","","","local","3","C 1 2 1","C 2y","5","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Austin, Kerrie A. B.; Banwell, Martin G.; Willis, Anthony C.","A formal total synthesis of platencin.","Organic letters","2008","10","20","4465","4468","10.1021/ol801647h","","","0.71073","MoKα","","0.0319","0.0287","","0.037","0.0355","0.0355","","","","","","1.1272","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504876","7.1731","0.0001","11.4468","0.0003","12.9869","0.0003","90","","90","","90","","1066.34","0.04","200","","200","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 O -","- C13 H18 O -","- C52 H72 O4 -","4","1","","Austin, Kerrie A. B.; Banwell, Martin G.; Willis, Anthony C.","A formal total synthesis of platencin.","Organic letters","2008","10","20","4465","4468","10.1021/ol801647h","","","0.71073","MoKα","","0.0354","0.0301","","0.0398","0.0364","0.0364","","","","","","1.1162","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504877","9.7549","0.0007","15.8328","0.0012","12.3179","0.0009","90","","98.174","0.001","90","","1883.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O2 -","- C22 H23 N O2 -","- C88 H92 N4 O8 -","4","1","","Duan, Haifeng; Sun, Xiaohua; Liao, Wenyan; Petersen, Jeffrey L.; Shi, Xiaodong","Proline as Lewis base catalyst: diastereoselective synthesis of isoxazoline-N-oxide through [3 + 2] cycloaddition.","Organic letters","2008","10","18","4113","4116","10.1021/ol801656y","","","0.71073","MoKα","","0.0788","0.0524","","","0.14","0.159","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504878","6.4956","0.0005","18.0854","0.0016","24.885","0.002","90","","90","","90","","2923.4","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C128 H184 N8 O16 -","8","1","","Duan, Haifeng; Sun, Xiaohua; Liao, Wenyan; Petersen, Jeffrey L.; Shi, Xiaodong","Proline as Lewis base catalyst: diastereoselective synthesis of isoxazoline-N-oxide through [3 + 2] cycloaddition.","Organic letters","2008","10","18","4113","4116","10.1021/ol801656y","","","0.71073","MoKα","","0.0773","0.0478","","","0.1224","0.1444","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504879","6.1511","0.0015","10.631","0.003","21.677","0.005","77.882","0.005","85.276","0.005","81.72","0.006","1369.5","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H28 Br N O6 S -","- C26 H28 Br N O6 S -","- C52 H56 Br2 N2 O12 S2 -","2","1","","Zheng, Suqing; Lu, Xiyan","A phosphine-catalyzed [3 + 2] annulation reaction of modified allylic compounds and N-tosylimines.","Organic letters","2008","10","20","4481","4484","10.1021/ol801661y","","","0.71073","MoKα","","0.2124","0.0661","","","0.1212","0.1695","","","","","","0.76","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504880","7.9179","0.0017","13.694","0.003","22.37","0.005","90","","96.841","0.004","90","","2408.3","0.9","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Cl N O4 S -","- C26 H24 Cl N O4 S -","- C104 H96 Cl4 N4 O16 S4 -","4","1","","Zheng, Suqing; Lu, Xiyan","A phosphine-catalyzed [3 + 2] annulation reaction of modified allylic compounds and N-tosylimines.","Organic letters","2008","10","20","4481","4484","10.1021/ol801661y","","","0.71073","MoKα","","0.0622","0.0447","","","0.1098","0.1171","","","","","","0.949","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504881","6.1336","0.0007","11.728","0.0014","14.5571","0.0017","90","","90","","90","","1047.2","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 O4 -","- C12 H14 O4 -","- C48 H56 O16 -","4","1","","Feng, Chen-Guo; Wang, Zhi-Qian; Shao, Cheng; Xu, Ming-Hua; Lin, Guo-Qiang","Highly practical catalytic asymmetric 1,4-addition of arylboronic acids in water using new hydrophilic chiral bicyclo[3.3.0] diene ligands.","Organic letters","2008","10","18","4101","4104","10.1021/ol801665z","","","0.71073","MoKα","","0.0564","0.0392","","","0.0616","0.0655","","","","","","0.893","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504882","9.7534","0.001","9.9312","0.001","28.882","0.003","90","","90","","90","","2797.6","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37 Cl2 O8 Rh2 -","- C28 H28 Cl2 O8 Rh2 -","- C112 H112 Cl8 O32 Rh8 -","4","1","","Feng, Chen-Guo; Wang, Zhi-Qian; Shao, Cheng; Xu, Ming-Hua; Lin, Guo-Qiang","Highly practical catalytic asymmetric 1,4-addition of arylboronic acids in water using new hydrophilic chiral bicyclo[3.3.0] diene ligands.","Organic letters","2008","10","18","4101","4104","10.1021/ol801665z","","","0.71073","MoKα","","0.0501","0.047","","","0.1192","0.1206","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504883","7.8362","0.0012","9.6","0.002","12.054","0.002","90","","96.508","0.002","90","","900.9","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 N2 O2 -","- C8 H12 N2 O2 -","- C32 H48 N8 O8 -","4","1","","Anderson, James C.; Blake, Alexander J.; Mills, Matthew; Ratcliffe, Paul D.","A general one-step synthesis of beta-nitronitriles.","Organic letters","2008","10","18","4141","4143","10.1021/ol801691c","","","0.71073","MoKα","","0.051","0.0427","","","0.116","0.121","","","","","","1.07","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1504884","18.507","0.001","7.3736","0.0009","10.893","0.001","90","","90.553","0.006","90","","1486.4","0.2","293","","293","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H18 Cl2 O -","- C15 H18 Cl2 O -","- C60 H72 Cl8 O4 -","4","1","","Darses, Benjamin; Milet, Anne; Philouze, Christian; Greene, Andrew E.; Poisson, Jean-François","Ynol ethers from dichloroenol ethers: mechanistic elucidation through 35Cl labeling.","Organic letters","2008","10","20","4445","4447","10.1021/ol801704u","","","0.71073","MoKα","","0.0412","0.0412","","0.0632","","0.0632","","","1.957","","","1.957","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504885","19.314","0.003","19.314","0.003","10.066","0.002","90","","90","","120","","3251.9","1","113","2","113","2","","","","","","","","4","P 61","P 61","169","","","","- C25.5 H24 N2 O2.5 -","- C25.51 H24.04 N2 O2.51 -","- C153.06 H144.24 N12 O15.06 -","6","1","","Yao, Pei-Yuan; Zhang, Yu; Hsung, Richard P.; Zhao, Kang","A sequential metal-catalyzed C-N bond formation in the synthesis of 2-amido-indoles.","Organic letters","2008","10","19","4275","4278","10.1021/ol801711p","","","0.71073","MoKα","","0.0524","0.0487","","","0.1341","0.1372","","","","","","1.105","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1504886","6.152","0.004","11.728","0.004","12.367","0.004","91.34","0.03","93.22","0.04","102.61","0.03","868.8","0.7","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C42 H38 N2 O6 -","2","1","","Chen, Wenming; Li, Jianjun; Fang, Dongmei; Feng, Chun; Zhang, Chenggang","Copper-catalyzed one-pot multicomponent coupling reaction of phenols, amides, and 4-bromphenyl iodide.","Organic letters","2008","10","20","4565","4568","10.1021/ol801730g","","","0.71073","MoKα","","0.0613","0.0382","","","0.1016","0.1105","","","","","","1.065","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504887","9.5562","0.0004","9.7397","0.0006","14.607","0.0009","102.01","0.03","105.5","0.04","103.34","0.03","1220.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H35 N O3 -","- C27 H35 N O3 -","- C54 H70 N2 O6 -","2","1","","Sridharan, Vellaisamy; Menéndez, J Carlos","Two-step stereocontrolled synthesis of densely functionalized cyclic beta-aminoesters containing four stereocenters, based on a new cerium(IV) ammonium nitrate catalyzed sequential three-component reaction.","Organic letters","2008","10","19","4303","4306","10.1021/ol801738d","","","0.71073","MoKα","","0.1034","0.0746","","","0.2126","0.2422","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504888","14.3175","0.0017","10.3715","0.0012","17.18","0.002","90","","90.979","0.002","90","","2550.8","0.5","90","","90","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 N O6 P S -","- C24 H34 N O6 P S -","- C96 H136 N4 O24 P4 S4 -","4","1","","Yamagishi, Takehiro; Ichikawa, Hiroyuki; Haruki, Terumitsu; Yokomatsu, Tsutomu","Diastereoselective synthesis of alpha,beta'-disubstituted aminomethyl(2-carboxyethyl)phosphinates as phosphinyl dipeptide isosteres.","Organic letters","2008","10","19","4347","4350","10.1021/ol801743d","","","0.71073","MoKα","","0.0695","0.0445","","","0.0977","0.108","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504889","17.2833","0.0013","10.4232","0.0008","17.5362","0.0013","90","","106.07","0.001","90","","3035.7","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H40 N O6 P S -","- C31 H40 N O6 P S -","- C124 H160 N4 O24 P4 S4 -","4","1","","Yamagishi, Takehiro; Ichikawa, Hiroyuki; Haruki, Terumitsu; Yokomatsu, Tsutomu","Diastereoselective synthesis of alpha,beta'-disubstituted aminomethyl(2-carboxyethyl)phosphinates as phosphinyl dipeptide isosteres.","Organic letters","2008","10","19","4347","4350","10.1021/ol801743d","","","0.71073","MoKα","","0.0868","0.0529","","","0.1216","0.1393","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504890","8.6578","0.0007","13.6243","0.0008","14.9077","0.0012","90","","92.007","0.007","90","","1757.4","0.2","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O6 -","- C20 H19 N O6 -","- C80 H76 N4 O24 -","4","1","","Vara, Yosu; Bello, Tamara; Aldaba, Eneko; Arrieta, Ana; Pizarro, José L; Arriortua, María I; Lopez, Xabier; Cossío, Fernando P","Trans-stereoselectivity in the reaction between homophthalic anhydride and imines.","Organic letters","2008","10","21","4759","4762","10.1021/ol801757r","","x-ray","0.71073","MoKα","","0.0468","0.0329","","","0.0799","0.0831","","","","","","0.961","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504891","7.0418","0.0007","8.4665","0.0008","13.3322","0.0013","96.026","0.008","90.191","0.008","111.306","0.007","735.7","0.13","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C34 H34 N2 O8 -","2","1","","Vara, Yosu; Bello, Tamara; Aldaba, Eneko; Arrieta, Ana; Pizarro, José L; Arriortua, María I; Lopez, Xabier; Cossío, Fernando P","Trans-stereoselectivity in the reaction between homophthalic anhydride and imines.","Organic letters","2008","10","21","4759","4762","10.1021/ol801757r","","x-ray","0.71073","MoKα","","0.0692","0.0372","","","0.0796","0.0865","","","","","","0.88","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504892","10.227","0.001","7.534","0.001","29.237","0.002","90","","90","","90","","2252.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 Cl N O6 -","- C22 H24 Cl N O6 -","- C88 H96 Cl4 N4 O24 -","4","1","","Vara, Yosu; Bello, Tamara; Aldaba, Eneko; Arrieta, Ana; Pizarro, José L; Arriortua, María I; Lopez, Xabier; Cossío, Fernando P","Trans-stereoselectivity in the reaction between homophthalic anhydride and imines.","Organic letters","2008","10","21","4759","4762","10.1021/ol801757r","","","0.71073","MoKα","","0.0449","0.0327","","","0.077","0.0816","","","","","","0.936","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504893","11.0148","0.0004","15.6616","0.0007","13.2742","0.0005","90","","91.291","0.003","90","","2289.34","0.16","298","2","298","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C24 H27 N O6 -","- C24 H27 N O6 -","- C96 H108 N4 O24 -","4","2","","Vara, Yosu; Bello, Tamara; Aldaba, Eneko; Arrieta, Ana; Pizarro, José L; Arriortua, María I; Lopez, Xabier; Cossío, Fernando P","Trans-stereoselectivity in the reaction between homophthalic anhydride and imines.","Organic letters","2008","10","21","4759","4762","10.1021/ol801757r","","x-ray","0.71073","MoKα","","0.0579","0.0362","","","0.0712","0.0765","","","","","","0.887","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504894","8.1331","0.0008","10.3107","0.0009","13.9669","0.0013","74.793","0.008","78.913","0.009","74.581","0.007","1080.05","0.18","143","1","143","1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H26 N2 O7 -","- C23 H26 N2 O7 -","- C46 H52 N4 O14 -","2","1","","Smith, 3rd, Amos B; Liu, Zhuqing","Total synthesis of (-)-aplaminal.","Organic letters","2008","10","19","4363","4365","10.1021/ol801794f","","","0.71073","MoKα","","0.0607","0.0473","","","0.118","0.1296","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504895","10.5581","0.0006","10.9515","0.0008","12.6633","0.0008","90","","90","","90","","1464.22","0.16","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C68 H76 N4 O16 -","4","1","","Matveenko, Maria; Banwell, Martin G.; Willis, Anthony C.","A chemoenzymatic total synthesis of the structure assigned to the alkaloid (+)-montabuphine.","Organic letters","2008","10","20","4693","4696","10.1021/ol801815k","","","0.71073","MoKα","","0.0486","0.0328","","0.0672","0.0635","0.0672","","","","","","0.8184","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504896","8.5486","0.0001","16.0954","0.0003","12.7901","0.0002","90","","92.8111","0.0012","90","","1757.71","0.05","200","","200","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C19 H21.18 N O8.09 -","- C19 H21 N O8.0865 -","- C76 H84 N4 O32.346 -","4","2","","Matveenko, Maria; Banwell, Martin G.; Willis, Anthony C.","A chemoenzymatic total synthesis of the structure assigned to the alkaloid (+)-montabuphine.","Organic letters","2008","10","20","4693","4696","10.1021/ol801815k","","","0.71073","MoKα","","0.0293","0.0265","","0.0675","0.0663","0.0675","","","","","","0.9413","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504897","7.9753","0.0009","16.4471","0.0019","19.293","0.003","90","","99.295","0.009","90","","2497.4","0.6","292","3","292","3","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C23 H26 N5 O5 -","- C23 H26 N5 O5 -","- C92 H104 N20 O20 -","4","1","","Yu, Ming-Ming; Li, Zhan-Xian; Wei, Liu-He; Wei, Dong-Hui; Tang, Ming-Sheng","A 1,8-naphthyridine-based fluorescent chemodosimeter for the rapid detection of Zn2+ and Cu2+.","Organic letters","2008","10","22","5115","5118","10.1021/ol8018192","","","0.71073","MoKα","","0.1607","0.0882","","","0.1867","0.2051","","","","","","1.531","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1504898","9.4137","0.0019","13.961","0.003","16.64","0.003","90.71","0.02","99.74","0.03","109.21","0.03","2029.9","0.8","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 Cl2 N6 Zn -","- C18 H18 Cl2 N6 Zn -","- C72 H72 Cl8 N24 Zn4 -","4","2","","Yu, Ming-Ming; Li, Zhan-Xian; Wei, Liu-He; Wei, Dong-Hui; Tang, Ming-Sheng","A 1,8-naphthyridine-based fluorescent chemodosimeter for the rapid detection of Zn2+ and Cu2+.","Organic letters","2008","10","22","5115","5118","10.1021/ol8018192","","","0.71073","MoKα","","0.0816","0.0542","","","0.1109","0.1323","","","","","","1.079","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504899","7.9067","0.0002","12.6246","0.0003","10.7306","0.0003","90","","110.151","0.001","90","","1005.55","0.05","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H32 Br N O4 -","- C18 H32 Br N O4 -","- C36 H64 Br2 N2 O8 -","2","1","","Bridgwood, Katy L.; Tzschucke, C. Christoph; O'Brien, Matthew; Wittrock, Sven; Goodman, Jonathan M.; Davies, John E.; Logan, Angus W. J.; Hüttl, Matthias R M; Ley, Steven V.","Enantiopure 2-substituted glyceraldehyde derivatives by aza-Claisen rearrangement or C-alkylation of enamines.","Organic letters","2008","10","20","4537","4540","10.1021/ol8018242","","","0.71073","MoKα","","0.0422","0.0344","","","0.0797","0.0843","","","","","","1.066","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504900","9.3234","0.0002","9.6424","0.0002","16.4602","0.0004","90","","90","","90","","1479.77","0.06","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H22 O7 -","- C13 H22 O7 -","- C52 H88 O28 -","4","1","","Bridgwood, Katy L.; Tzschucke, C. Christoph; O'Brien, Matthew; Wittrock, Sven; Goodman, Jonathan M.; Davies, John E.; Logan, Angus W. J.; Hüttl, Matthias R M; Ley, Steven V.","Enantiopure 2-substituted glyceraldehyde derivatives by aza-Claisen rearrangement or C-alkylation of enamines.","Organic letters","2008","10","20","4537","4540","10.1021/ol8018242","","","0.71073","MoKα","","0.0448","0.0373","","","0.092","0.0974","","","","","","1.074","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504901","22.3552","0.0004","6.7979","0.0002","11.9364","0.0003","90","","117.424","0.002","90","","1610.11","0.07","180","2","180","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C16 H22 O5 -","- C16 H22 O5 -","- C64 H88 O20 -","4","1","","Bridgwood, Katy L.; Tzschucke, C. Christoph; O'Brien, Matthew; Wittrock, Sven; Goodman, Jonathan M.; Davies, John E.; Logan, Angus W. J.; Hüttl, Matthias R M; Ley, Steven V.","Enantiopure 2-substituted glyceraldehyde derivatives by aza-Claisen rearrangement or C-alkylation of enamines.","Organic letters","2008","10","20","4537","4540","10.1021/ol8018242","","","0.71073","MoKα","","0.0578","0.0438","","","0.0954","0.1034","","","","","","1.052","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504902","6.1878","0.0002","10.3959","0.0003","24.2681","0.0007","90","","90","","90","","1561.11","0.08","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O5 -","- C16 H22 O5 -","- C64 H88 O20 -","4","1","","Bridgwood, Katy L.; Tzschucke, C. Christoph; O'Brien, Matthew; Wittrock, Sven; Goodman, Jonathan M.; Davies, John E.; Logan, Angus W. J.; Hüttl, Matthias R M; Ley, Steven V.","Enantiopure 2-substituted glyceraldehyde derivatives by aza-Claisen rearrangement or C-alkylation of enamines.","Organic letters","2008","10","20","4537","4540","10.1021/ol8018242","","","0.71073","MoKα","","0.0419","0.0338","","","0.0758","0.0808","","","","","","1.079","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504903","6.9222","0.0003","8.7421","0.0004","10.5953","0.0005","90","","103.477","0.002","90","","623.51","0.05","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H17 N O5 -","- C11 H17 N O5 -","- C22 H34 N2 O10 -","2","1","","Bridgwood, Katy L.; Tzschucke, C. Christoph; O'Brien, Matthew; Wittrock, Sven; Goodman, Jonathan M.; Davies, John E.; Logan, Angus W. J.; Hüttl, Matthias R M; Ley, Steven V.","Enantiopure 2-substituted glyceraldehyde derivatives by aza-Claisen rearrangement or C-alkylation of enamines.","Organic letters","2008","10","20","4537","4540","10.1021/ol8018242","","","0.71073","MoKα","","0.0492","0.0368","","","0.0791","0.0857","","","","","","1.026","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504904","7.2898","0.0002","9.3886","0.0002","15.9051","0.0006","91.007","0.001","97.177","0.001","111.934","0.001","999.41","0.05","180","2","180","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H24 N4 O8 -","- C18 H24 N4 O8 -","- C36 H48 N8 O16 -","2","2","","Bridgwood, Katy L.; Tzschucke, C. Christoph; O'Brien, Matthew; Wittrock, Sven; Goodman, Jonathan M.; Davies, John E.; Logan, Angus W. J.; Hüttl, Matthias R M; Ley, Steven V.","Enantiopure 2-substituted glyceraldehyde derivatives by aza-Claisen rearrangement or C-alkylation of enamines.","Organic letters","2008","10","20","4537","4540","10.1021/ol8018242","","","0.71073","MoKα","","0.0683","0.0476","","","0.102","0.113","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504905","15.8689","0.0008","6.8068","0.0003","21.1152","0.0008","90","","92.689","0.003","90","","2278.28","0.18","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H32 N2 O5 Si2 -","- C19 H32 N2 O5 Si2 -","- C76 H128 N8 O20 Si8 -","4","1","","Tchabanenko, Kirill; Simpkins, Nigel S.; Male, Louise","A concise approach to a gelsemine core structure using an oxygen to carbon bridge swapping strategy.","Organic letters","2008","10","21","4747","4750","10.1021/ol801835q","","","0.71073","MoKα","","0.1233","0.0723","","","0.1263","0.1517","","","","","","1.112","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504906","10.8521","0.0004","11.1482","0.0004","21.2318","0.0007","82.573","0.002","86.637","0.002","82.618","0.002","2523.68","0.16","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H27 N5 O9 -","- C24 H27 N5 O9 -","- C96 H108 N20 O36 -","4","4","","Zhu, Di; Lu, Min; Chua, Pei Juan; Tan, Bin; Wang, Fei; Yang, Xinhao; Zhong, Guofu","A highly stereoselective organocatalytic tandem aminoxylation/aza-Michael reaction for the synthesis of tetrahydro-1,2-oxazines.","Organic letters","2008","10","20","4585","4588","10.1021/ol801864c","","","0.71073","MoKα","","0.1157","0.0574","","","0.1425","0.1874","","","","","","0.99","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504907","5.6969","0.0007","8.6242","0.001","23.496","0.003","93.599","0.007","90.87","0.007","102.764","0.006","1123.1","0.2","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 Cl3 N3 O3 -","- C23 H20 Cl3 N3 O3 -","- C46 H40 Cl6 N6 O6 -","2","1","","del Amo, Vicente; Slawin, Alexandra M. Z.; Philp, Douglas","Manipulating replication processes within a dynamic covalent framework.","Organic letters","2008","10","20","4589","4592","10.1021/ol8018665","","","0.71073","MoKα","","0.1108","0.0972","","","0.2253","0.2319","","","","","","1.191","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504908","11.8942","0.0012","4.8305","0.0005","31.41","0.003","90","","95.652","0.004","90","","1795.9","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N3 O3 -","- C22 H21 N3 O3 -","- C88 H84 N12 O12 -","4","1","","del Amo, Vicente; Slawin, Alexandra M. Z.; Philp, Douglas","Manipulating replication processes within a dynamic covalent framework.","Organic letters","2008","10","20","4589","4592","10.1021/ol8018665","","","1.54178","CuKα","","0.1183","0.101","","","0.2063","0.2135","","","","","","1.235","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504909","13.8439","0.0005","14.6436","0.0006","37.648","0.0014","90","","90","","90","","7632.2","0.5","150","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H36 F12 N2 O6 S2 -","- C36 H36 F12 N2 O6 S2 -","- C288 H288 F96 N16 O48 S16 -","8","2","","Wang, Chun-Jiang; Gao, Feng; Liang, Gang","Axial 4,4',6,6'-tetrakis-trifluoromethyl-biphenyl-2,2'-diamine (TF-BIPHAM): resolution and applications in asymmetric hydrogenation.","Organic letters","2008","10","21","4711","4714","10.1021/ol8018677","","","0.71073","MoKα","","0.1067","0.0886","","","0.1961","0.1936","","","","","","1.109","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504910","8.2102","0.0007","10.2452","0.0013","13.693","0.0014","90","","90","","90","","1151.8","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 Cl N O -","- C12 H16 Cl N O -","- C48 H64 Cl4 N4 O4 -","4","1","","Kise, Naoki; Mano, Toshiyuki; Sakurai, Toshihiko","Electroreductive intramolecular coupling of 1-indolealkanones.","Organic letters","2008","10","20","4617","4620","10.1021/ol801876k","","","0.71075","MoKα","","0.033","0.0293","","","0.0712","0.0729","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504911","8.018","0.0005","10.5735","0.0008","14.6209","0.0008","90","","90","","90","","1239.54","0.14","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 Cl N O -","- C13 H18 Cl N O -","- C52 H72 Cl4 N4 O4 -","4","1","","Kise, Naoki; Mano, Toshiyuki; Sakurai, Toshihiko","Electroreductive intramolecular coupling of 1-indolealkanones.","Organic letters","2008","10","20","4617","4620","10.1021/ol801876k","","","0.71075","MoKα","","0.0408","0.0329","","","0.0735","0.0757","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504912","5.9797","0.0001","14.9321","0.0003","27.3603","0.0006","90","","90","","90","","2442.99","0.08","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 Br N O3 S2 -","- C25 H24 Br N O3 S2 -","- C100 H96 Br4 N4 O12 S8 -","4","1","","Viso, Alma; Fernández de la Pradilla, Roberto; Ureña, Mercedes; Colomer, Ignacio","Highly diastereoselective addition of lithio vinyl sulfoxides to N-sulfinimines: an entry to enantiopure 3-sulfinyl-2,5-cis-dihydropyrroles.","Organic letters","2008","10","21","4775","4778","10.1021/ol801878f","","","1.54178","CuKα","","0.0264","0.0251","","","0.0676","0.0689","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504913","22.06","0.03","12.69","0.02","29.55","0.04","90","","90","","90","","8272","2","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C94 H76 Cl4 N8 O8 -","- C94 H76 Cl4 N8 O8 -","- C376 H304 Cl16 N32 O32 -","4","0.5","","Ikeda, Chusaku; Sakamoto, Naoya; Nabeshima, Tatsuya","Synthesis and guest recognition ability of 2,3-dimethoxy-1,4-phenylene-containing porphyrinoids.","Organic letters","2008","10","20","4601","4604","10.1021/ol801888d","","","0.71075","MoKα","","0.1618","0.0807","","","0.1869","0.2099","","","","","","0.995","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504914","14.85","0.02","14.88","0.02","17.5","0.03","101","0.06","108.81","0.07","104.85","0.06","3376","9","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C72.5 H57.5 Cl10.5 N6 O6 -","- C72.5 H57.5 Cl10.5 N6 O6 -","- C145 H115 Cl21 N12 O12 -","2","1","","Ikeda, Chusaku; Sakamoto, Naoya; Nabeshima, Tatsuya","Synthesis and guest recognition ability of 2,3-dimethoxy-1,4-phenylene-containing porphyrinoids.","Organic letters","2008","10","20","4601","4604","10.1021/ol801888d","","","0.71075","MoKα","","0.1782","0.111","","","0.2262","0.2559","","","","","","1.067","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1504915","8.5635","0.0009","11.0551","0.0012","12.4256","0.0013","93.957","0.002","107.416","0.002","92.021","0.002","1117.8","0.2","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H24 O5 -","- C29 H24 O5 -","- C58 H48 O10 -","2","1","","Chen, Jhih-Rong; Wong, Jen-Bing; Kuo, Pei-Yu; Yang, Ding-Yah","Synthesis and characterization of coumarin-based spiropyran photochromic colorants.","Organic letters","2008","10","21","4823","4826","10.1021/ol8018902","","x-ray","0.71073","MoKα","","0.0556","0.0478","","","0.1444","0.1521","","","","","","1.323","","","","has coordinates","198633","2020-10-21","18:00:00",""
"1504916","8.9537","0.0011","11.9368","0.0013","11.6889","0.0014","90","","100.554","0.002","90","","1228.2","0.2","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H27 N O4 -","- C30 H27 N O4 -","- C60 H54 N2 O8 -","2","1","","Chen, Jhih-Rong; Wong, Jen-Bing; Kuo, Pei-Yu; Yang, Ding-Yah","Synthesis and characterization of coumarin-based spiropyran photochromic colorants.","Organic letters","2008","10","21","4823","4826","10.1021/ol8018902","","x-ray","0.71073","MoKα","","0.0499","0.0361","","","0.0853","0.0922","","","","","","1.104","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504917","12.9291","0.0011","18.0055","0.0016","12.6684","0.0006","90","","100.03","0.005","90","","2904.1","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C67 H78 O7 -","- C67 H74 O7 -","- C134 H148 O14 -","2","0.5","","Masci, Bernardo; Pasquale, Sara; Thuéry, Pierre","Supramolecular control of a fast and reversible Diels-Alder reaction.","Organic letters","2008","10","21","4835","4838","10.1021/ol801919q","","","0.71073","MoKα","","0.096","0.0727","","","0.2065","0.2276","","","","","","0.957","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504918","14.7932","0.0014","10.9743","0.0005","21.955","0.002","90","","93.092","0.004","90","","3559.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H94 F12 N2 O6 P2 -","- C80 H94 F12 N2 O6 P2 -","- C160 H188 F24 N4 O12 P4 -","2","0.5","","Masci, Bernardo; Pasquale, Sara; Thuéry, Pierre","Supramolecular control of a fast and reversible Diels-Alder reaction.","Organic letters","2008","10","21","4835","4838","10.1021/ol801919q","","","0.71073","MoKα","","0.0852","0.0483","","","0.1154","0.13","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504919","12.333","0.003","16.695","0.004","18.865","0.004","90","","90","","90","","3884.3","1.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 F3 N O2 -","- C22 H20 F3 N O2 -","- C176 H160 F24 N8 O16 -","8","2","","Thillaye du Boullay, Olivier; Alba, Aurélie; Oukhatar, Fatima; Martin-Vaca, Blanca; Bourissou, Didier","(1-Naphthyl)(trifluoromethyl) O-carboxy anhydride as a chiral derivatizing agent: eclipsed conformation enforced by hydrogen bonding.","Organic letters","2008","10","20","4669","4672","10.1021/ol801930m","","","0.71073","MoKα","","0.1438","0.0457","","","0.0541","0.0706","","","","","","0.732","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504920","8.5521","0.0011","11.1926","0.0015","9.6514","0.0013","90","","90.428","0.002","90","","923.8","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H18 F3 N O2 -","- C21 H18 F3 N O2 -","- C42 H36 F6 N2 O4 -","2","1","","Thillaye du Boullay, Olivier; Alba, Aurélie; Oukhatar, Fatima; Martin-Vaca, Blanca; Bourissou, Didier","(1-Naphthyl)(trifluoromethyl) O-carboxy anhydride as a chiral derivatizing agent: eclipsed conformation enforced by hydrogen bonding.","Organic letters","2008","10","20","4669","4672","10.1021/ol801930m","","","0.71073","MoKα","","0.0346","0.0299","","","0.0719","0.0747","","","","","","1.04","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504921","9.38","0.007","10.986","0.008","13.109","0.01","97.608","0.009","108.089","0.01","97.256","0.009","1252.5","1.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H10 F10 N2 O4 Pd -","- C26 H10 F10 N2 O4 Pd -","- C52 H20 F20 N4 O8 Pd2 -","2","1","","Mori, Susumu; Nambo, Masakazu; Chi, Liang-Chen; Bouffard, Jean; Itami, Kenichiro","A bench-stable Pd catalyst for the hydroarylation of fullerene with boronic acids.","Organic letters","2008","10","20","4609","4612","10.1021/ol801936j","","","0.7107","MoKα","","0.1747","0.1084","","","0.2082","0.2559","","","","","","1.105","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504922","11.0312","0.0012","16.3017","0.0017","10.8502","0.0012","90","","90","","90","","1951.2","0.4","193","2","193","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C20 H33 B O2 -","- C20 H33 B O2 -","- C80 H132 B4 O8 -","4","0.5","","Finke, Aaron D.; Moore, Jeffrey S.","Iterative synthesis of 1,3,5-polyphenylene dendrons via C-H activation.","Organic letters","2008","10","21","4851","4854","10.1021/ol8019605","","","0.71073","MoKα","","0.0743","0.0442","","","0.1069","0.1232","","","","","","1.072","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1504923","15.1083","0.0008","16.5046","0.0008","16.7776","0.0009","81.808","0.003","78.842","0.003","70.258","0.003","3849.8","0.4","193","2","193","2","","","","","","","","2","P -1","-P 1","2","","","","- C74 H94 -","- C74 H94 -","- C148 H188 -","2","1","","Finke, Aaron D.; Moore, Jeffrey S.","Iterative synthesis of 1,3,5-polyphenylene dendrons via C-H activation.","Organic letters","2008","10","21","4851","4854","10.1021/ol8019605","","","0.71073","MoKα","","0.1945","0.0691","","","0.1367","0.1693","","","","","","0.815","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1504924","13.397","0.002","8.424","0.0014","17.434","0.003","90","","104.16","0.003","90","","1907.8","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 O Si -","- C23 H24 O Si -","- C92 H96 O4 Si4 -","4","1","","Glass, Adam C.; Morris, Benjamin B.; Zakharov, Lev N.; Liu, Shih-Yuan","Synthesis of substituted naphthalenes via a catalytic ring-expansion rearrangement.","Organic letters","2008","10","21","4855","4857","10.1021/ol8019617","","","0.71073","MoKα","","0.1119","0.0558","","","0.0967","0.1182","","","","","","0.994","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504925","9.5789","0.0012","12.6743","0.0016","10.9538","0.0014","90","","108.965","0.002","90","","1257.7","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 O Si -","- C13 H16 O Si -","- C52 H64 O4 Si4 -","4","1","","Glass, Adam C.; Morris, Benjamin B.; Zakharov, Lev N.; Liu, Shih-Yuan","Synthesis of substituted naphthalenes via a catalytic ring-expansion rearrangement.","Organic letters","2008","10","21","4855","4857","10.1021/ol8019617","","","0.71073","MoKα","","0.0437","0.0357","","","0.0926","0.1004","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504926","8.04577","0.00015","8.2527","0.00015","18.717","0.0003","90","","90","","90","","1242.8","0.04","173.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O -","- C16 H15 N O -","- C64 H60 N4 O4 -","4","1","","Tabata, Hidetsugu; Akiba, Kumi; Lee, Shoukou; Takahashi, Hideyo; Natsugari, Hideaki","Atropisomeric properties of the dibenzo[b,d]azepin-6-one nucleus.","Organic letters","2008","10","21","4871","4874","10.1021/ol801968b","","","1.54187","CuKα","","","0.029","","","","0.0683","","","","","","1.228","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504927","8.04449","0.00015","8.25073","0.00015","18.716","0.0003","90","","90","","90","","1242.24","0.04","173.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O -","- C16 H15 N O -","- C64 H60 N4 O4 -","4","1","","Tabata, Hidetsugu; Akiba, Kumi; Lee, Shoukou; Takahashi, Hideyo; Natsugari, Hideaki","Atropisomeric properties of the dibenzo[b,d]azepin-6-one nucleus.","Organic letters","2008","10","21","4871","4874","10.1021/ol801968b","","","1.54187","CuKα","","","0.032","","","","0.0808","","","","","","0.715","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504928","7.6615","0.0004","11.4272","0.0007","21.1873","0.0012","88.793","0.001","80.147","0.001","76.291","0.001","1775.14","0.17","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H37 N5 O11 -","- C40 H37 N5 O11 -","- C80 H74 N10 O22 -","2","1","","Qin, Bo; Chen, Xiuying; Fang, Xiao; Shu, Yingying; Yip, Yeow Kwan; Yan, Yan; Pan, Siyan; Ong, Wei Qiang; Ren, Changliang; Su, Haibin; Zeng, Huaqiang","Crystallographic evidence of an unusual, pentagon-shaped folding pattern in a circular aromatic pentamer.","Organic letters","2008","10","22","5127","5130","10.1021/ol801980h","","","0.71073","MoKα","","0.1335","0.0908","","","0.1737","0.1924","","","","","","1.081","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504929","14.7133","0.0011","8.3268","0.0006","15.9547","0.0012","90","","116.296","0.002","90","","1752.4","0.2","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N -","- C23 H10 N -","- C92 H40 N4 -","4","1","","Fields, Wendy H.; Khan, Ali K.; Sabat, Michal; Chruma, Jason J.","One-pot tandem decarboxylative allylation-Heck cyclization of allyl diphenylglycinate imines: rapid access to polyfunctionalized 1-aminoindanes.","Organic letters","2008","10","22","5131","5134","10.1021/ol801986m","","","0.71073","MoKα","","0.1288","0.081","","","0.2674","0.3054","","","","","","0.932","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504930","7.221","0.005","10.099","0.003","20.92","0.013","90","","90","","90","","1525.6","1.5","198","2","198","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O5 -","- C16 H23 N O5 -","- C64 H92 N4 O20 -","4","1","","Lévesque, François; Bélanger, Guillaume","A versatile cascade of intramolecular Vilsmeier-Haack and azomethine ylide 1,3-dipolar cycloaddition toward tricyclic cores of alkaloids.","Organic letters","2008","10","21","4939","4942","10.1021/ol802010n","","","0.71073","MoKα","","0.1234","0.0514","","","0.0841","0.0992","","","","","","0.958","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504931","10.067","0.004","10.196","0.004","22.015","0.017","90","","100.78","0.05","90","","2220","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N2 O5 -","- C26 H26 N2 O5 -","- C104 H104 N8 O20 -","4","1","","Lévesque, François; Bélanger, Guillaume","A versatile cascade of intramolecular Vilsmeier-Haack and azomethine ylide 1,3-dipolar cycloaddition toward tricyclic cores of alkaloids.","Organic letters","2008","10","21","4939","4942","10.1021/ol802010n","","","0.71073","MoKα","","0.2218","0.0929","","","0.2222","0.2776","","","","","","0.892","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504932","12.044","0.003","17.241","0.006","21.688","0.007","90","","90","","90","","4504","2","293","2","293","2","","","","","","","","4","P b n b","-P 2bc 2ab","56","","","","- C26 H26 N2 O5 -","- C26 H26 N2 O5 -","- C208 H208 N16 O40 -","8","1","","Lévesque, François; Bélanger, Guillaume","A versatile cascade of intramolecular Vilsmeier-Haack and azomethine ylide 1,3-dipolar cycloaddition toward tricyclic cores of alkaloids.","Organic letters","2008","10","21","4939","4942","10.1021/ol802010n","","","0.71073","MoKα","","0.2386","0.0821","","","0.1736","0.2183","","","","","","0.907","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504933","12.3916","0.0006","8.4464","0.0004","19.6714","0.001","90","","101.228","0.001","90","","2019.49","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","C21H27N3O5=epi-(1).MeOH","","","- C21 H27 N3 O5 -","- C21 H27 N3 O5 -","- C84 H108 N12 O20 -","4","1","","Koswatta, Panduka B.; Sivappa, Rasapalli; Dias, H. V. Rasika; Lovely, Carl J.","Total synthesis of (+/-)-calcaridine A and (+/-)-epi-calcaridine A.","Organic letters","2008","10","21","5055","5058","10.1021/ol802018r","","","0.71073","MoKα","","0.0544","0.0477","","","0.1291","0.1372","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504934","7.0712","0.0002","13.0588","0.0003","17.1676","0.0003","90","","90","","90","","1585.28","0.06","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O5 -","- C19 H18 O5 -","- C76 H72 O20 -","4","1","","Alden-Danforth, Ethan; Scerba, Michael T.; Lectka, Thomas","Asymmetric cycloadditions of o-quinone methides employing chiral ammonium fluoride precatalysts.","Organic letters","2008","10","21","4951","4953","10.1021/ol802029e","","","1.54178","CuKα","","0.034","0.0332","","","0.0892","0.09","","","","","","1.054","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504935","35.377","0.004","10.0059","0.0012","25.216","0.003","90","","105.136","0.005","90","","8616.3","1.8","100","2","100","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C48 H36 Cl6 O6 -","- C48 H36 Cl6 O6 -","- C384 H288 Cl48 O48 -","8","2","","Wadumethrige, Shriya H.; Rathore, Rajendra","A facile synthesis of elusive alkoxy-substituted hexa-peri-hexabenzocoronene.","Organic letters","2008","10","22","5139","5142","10.1021/ol8020429","","","1.54178","CuKα","","0.212","0.1474","","","0.3897","0.4204","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504936","5.3538","0.0001","13.5189","0.0003","20.0587","0.0005","90","","90","","90","","1451.8","0.06","110","","110","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 O3 S -","- C16 H16 O3 S -","- C64 H64 O12 S4 -","4","1","","Petersen, Kimberly S.; Posner, Gary H.","Asymmetric, organocatalytic, three-step synthesis of gamma-hydroxy-(E)-alpha,beta-unsaturated sulfones and esters.","Organic letters","2008","10","20","4685","4687","10.1021/ol8020513","","","0.71073","MoKα","","0.0623","0.0469","","","0.0984","0.1026","","","","","","0.984","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504937","11.02","0.002","23.824","0.003","12.159","0.002","90","","116.686","0.002","90","","2852.2","0.8","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","03233","","","- C30 H41 N O3 Si -","- C30 H41 N O3 Si -","- C120 H164 N4 O12 Si4 -","4","2","","Li, Gang; Hsung, Richard P.; Slafer, Brian W.; Sagamanova, Irina K.","Total synthesis of (+)-lepadin F.","Organic letters","2008","10","21","4991","4994","10.1021/ol802068q","","","0.71073","MoKα","","0.0497","0.0369","","","0.079","0.0853","","","","","","1.019","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504938","10.8993","0.0006","22.6591","0.0012","20.3062","0.001","90","","104.897","0.005","90","","4846.4","0.5","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C50 H41 F12 N3 P4 Pd -","- C50 H41 F12 N3 P4 Pd -","- C200 H164 F48 N12 P16 Pd4 -","4","2","","Nieto, Sonia; Lynch, Vincent M.; Anslyn, Eric V.; Kim, Hyunwoo; Chin, Jik","Rapid enantiomeric excess and concentration determination using simple racemic metal complexes.","Organic letters","2008","10","22","5167","5170","10.1021/ol802085j","","","0.71069","MoKα","","0.146","0.0695","","","0.104","0.1264","","","","","","1.059","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504939","10.9409","0.0005","12.4841","0.0008","16.8887","0.001","99.758","0.002","102.567","0.002","106.012","0.002","2098.4","0.2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H38 Cu F6 N2 P3 -","- C48 H38 Cu F6 N2 P3 -","- C96 H76 Cu2 F12 N4 P6 -","2","1","","Nieto, Sonia; Lynch, Vincent M.; Anslyn, Eric V.; Kim, Hyunwoo; Chin, Jik","Rapid enantiomeric excess and concentration determination using simple racemic metal complexes.","Organic letters","2008","10","22","5167","5170","10.1021/ol802085j","","","0.71073","MoKα","","0.0938","0.0546","","","0.1076","0.127","","","","","","0.978","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504940","11.885","0.009","20.252","0.006","10.995","0.005","90","","90","","90","","2646","2","296.2","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C25 H21 N5 O3 -","- C25 H20 N5 O5.5 -","- C100 H80 N20 O22 -","4","1","","Koyama, Nobuhiro; Inoue, Yusuke; Sekine, Masae; Hayakawa, Yoichi; Homma, Hiroshi; Omura, Satoshi; Tomoda, Hiroshi","Relative and absolute stereochemistry of quinadoline B, an inhibitor of lipid droplet synthesis in macrophages.","Organic letters","2008","10","22","5273","5276","10.1021/ol802089p","","","1.5418","CuKα","","","0.0962","","","","0.1456","","","","","","1.546","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504941","11.9286","0.0003","13.3443","0.0003","14.1759","0.0006","100.73","0.001","107.675","0.001","110.3","","1906.13","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H40 I2 O S4 -","- C41 H40 I2 O S4 -","- C82 H80 I4 O2 S8 -","2","1","","Takita, Ryo; Song, Changsik; Swager, Timothy M.","Pi-dimer formation in an oligothiophene tweezer molecule.","Organic letters","2008","10","21","5003","5005","10.1021/ol8020995","","","0.71073","MoKα","","0.0222","0.0192","","","0.0491","0.0511","","","","","","1.028","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504942","7.9569","0.0003","17.6067","0.0006","15.1481","0.0005","90","","99.863","0.003","90","","2090.8","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18.8 H20 Cl N2.35 Na O7 -","- C18.8 H20 Cl N2.35 Na O7 -","- C75.2 H80 Cl4 N9.4 Na4 O28 -","4","1","","Ziach, Krzysztof; Jurczak, Janusz","Controlling and measuring the equilibration of dynamic combinatorial libraries of imines.","Organic letters","2008","10","22","5159","5162","10.1021/ol802121s","","","0.71073","MoKα","","0.0526","0.0347","","","0.1022","0.1061","","","","","","1.012","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1504943","6.31022","0.00014","8.28482","0.00018","20.7306","0.0005","90","","90","","90","","1083.78","0.04","93.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 O2 -","- C13 H14 O2 -","- C52 H56 O8 -","4","1","","Chen, I-Hon; Oisaki, Kounosuke; Kanai, Motomu; Shibasaki, Masakatsu","Cu(I)-catalyzed hetero-Diels-Alder reaction between Danishefsky-type siloxy dienes and ketones.","Organic letters","2008","10","22","5151","5154","10.1021/ol802134a","","","1.54187","CuKα","","","0.0644","","","","0.2311","","","","","","0.953","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504944","6.9334","0.0015","22.473","0.005","20.118","0.004","90","","96.409","0.004","90","","3115.1","1.1","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 N4 O6 S2 -","- C34 H34 N4 O6 S2 -","- C136 H136 N16 O24 S8 -","4","1","","Yohannes, Daniel; Hansen, Camilla P.; Akireddy, Srinivasa Rao; Hauser, Terry A.; Kiser, Melanie N.; Gurnon, Nicholas J.; Day, Cynthia S.; Bhatti, Balwinder; Caldwell, William S.","First total synthesis of (+/-)-3-hydroxy-11-norcytisine: structure confirmation and biological characterization.","Organic letters","2008","10","23","5353","5356","10.1021/ol802145b","","","0.71073","MoKα","","0.0972","0.0576","","","0.1237","0.1404","","","","","","1.025","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504945","7.6258","0.0002","13.1985","0.0003","16.3312","0.0005","90","","100.566","0.001","90","","1615.85","0.07","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H16 Cs N O7 -","- C14 H16 Cs N O7 -","- C56 H64 Cs4 N4 O28 -","4","1","","Tellam, James P.; Kociok-Köhn, Gabriele; Carbery, David R.","An Ireland-Claisen approach to beta-alkoxy alpha-amino acids.","Organic letters","2008","10","22","5199","5202","10.1021/ol802169j","","","0.71073","MoKα","","0.0429","0.0329","","","0.0774","0.0831","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504946","9.814","0.005","14.667","0.005","21.883","0.005","90","0.005","90","0.005","90","0.005","3150","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H34 Br2 N2 O5 -","- C31 H34 Br2 N2 O5 -","- C124 H136 Br8 N8 O20 -","4","1","","Liu, Wei-Jun; Chen, Xiao-Hua; Gong, Liu-Zhu","Direct assembly of aldehydes, amino esters, and anilines into chiral imidazolidines via Brønsted acid catalyzed asymmetric 1,3-dipolar cycloadditions.","Organic letters","2008","10","23","5357","5360","10.1021/ol802177s","","","1.54184","CuKα","","0.0495","0.0481","","","0.0966","0.0971","","","","","","1","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504947","10.21","0.005","11.46","0.005","14.841","0.005","68.134","0.005","73.279","0.005","82.921","0.005","1543.2","1.1","293","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H34 Br2 N2 O5 -","- C31 H34 Br2 N2 O5 -","- C62 H68 Br4 N4 O10 -","2","1","","Liu, Wei-Jun; Chen, Xiao-Hua; Gong, Liu-Zhu","Direct assembly of aldehydes, amino esters, and anilines into chiral imidazolidines via Brønsted acid catalyzed asymmetric 1,3-dipolar cycloadditions.","Organic letters","2008","10","23","5357","5360","10.1021/ol802177s","","","1.54184","CuKα","","0.0443","0.043","","","0.0972","0.0978","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504948","10.705","0.0002","11.038","0.0003","12.92","0.0005","91.653","0.005","96.063","0.005","111.856","0.005","1405.14","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H30 N2 O4 -","- C32 H30 N2 O4 -","- C64 H60 N4 O8 -","2","1","","Liu, Wei-Jun; Chen, Xiao-Hua; Gong, Liu-Zhu","Direct assembly of aldehydes, amino esters, and anilines into chiral imidazolidines via Brønsted acid catalyzed asymmetric 1,3-dipolar cycloadditions.","Organic letters","2008","10","23","5357","5360","10.1021/ol802177s","","","1.54184","CuKα","","0.0664","0.0568","","","0.1191","0.1229","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504949","12.3227","0.0002","15.878","0.0003","13.5239","0.0002","90","","113.169","0.0012","90","","2432.67","0.07","160","1","160","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C56 H61 Cl N2 Pd -","- C56 H61 Cl N2 Pd -","- C112 H122 Cl2 N4 Pd2 -","2","1","","Luan, Xinjun; Mariz, Ronaldo; Robert, Carine; Gatti, Michele; Blumentritt, Sascha; Linden, Anthony; Dorta, Reto","Matching the chirality of monodentate N-heterocyclic carbene ligands: a case study on well-defined palladium complexes for the asymmetric alpha-arylation of amides.","Organic letters","2008","10","24","5569","5572","10.1021/ol8021808","","","0.71073","MoKα","","0.048","0.0382","","","0.0883","0.0925","","","","","","1.103","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504950","13.0136","0.0001","23.9021","0.0002","16.2196","0.0001","90","","95.8913","0.0005","90","","5018.5","0.07","160","1","160","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C59 H66 Cl N2 Pd -","- C56 H59 Cl N2 Pd -","- C224 H236 Cl4 N8 Pd4 -","4","2","","Luan, Xinjun; Mariz, Ronaldo; Robert, Carine; Gatti, Michele; Blumentritt, Sascha; Linden, Anthony; Dorta, Reto","Matching the chirality of monodentate N-heterocyclic carbene ligands: a case study on well-defined palladium complexes for the asymmetric alpha-arylation of amides.","Organic letters","2008","10","24","5569","5572","10.1021/ol8021808","","","0.71073","MoKα","","0.057","0.0445","","","0.1145","0.1212","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504951","8.10238","0.00015","12.8053","0.0002","15.8078","0.0007","90","","94.0063","0.0008","90","","1636.11","0.08","93.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 O3 -","- C18 H26 O3 -","- C72 H104 O12 -","4","1","","Nagano, Takao; Motoyoshiya, Jiro; Kakehi, Akikazu; Nishii, Yoshinori","SmI2-promoted Reformatsky-type reaction and acylation of alkyl 1-chlorocyclopropanecarboxylates.","Organic letters","2008","10","23","5453","5456","10.1021/ol8022038","","","1.54187","CuKα","","","0.0359","","","","0.0902","","","","","","1.072","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504952","11.0729","0.0006","11.8754","0.0007","12.207","0.0008","90","","111.272","0.003","90","","1495.8","0.16","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","BMC-M-63-2","BMC-M-63-2","","- C15 H20 N2 O3 S -","- C15 H20 N2 O3 S -","- C60 H80 N8 O12 S4 -","4","1","","Cochran, Brian M.; Michael, Forrest E.","Metal-free oxidative cyclization of urea-tethered alkenes with hypervalent iodine.","Organic letters","2008","10","21","5039","5042","10.1021/ol8022165","","","0.71073","MoKα","","0.0866","0.0592","","","0.1561","0.1712","","","","","","0.999","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1504953","6.7394","0.0004","26.2661","0.0014","11.231","0.0006","90","","124.744","0.002","90","","1633.62","0.16","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","BMC-N-163","BMC-N-163","","- C15 H22 N2 O4 S -","- C15 H22 N2 O4 S -","- C60 H88 N8 O16 S4 -","4","1","","Cochran, Brian M.; Michael, Forrest E.","Metal-free oxidative cyclization of urea-tethered alkenes with hypervalent iodine.","Organic letters","2008","10","21","5039","5042","10.1021/ol8022165","","","0.71073","MoKα","","0.0997","0.052","","","0.1082","0.1231","","","","","","0.981","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504954","12.2989","0.0007","19.4176","0.0011","21.8181","0.0012","90","","105.056","0.001","90","","5031.6","0.5","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H51 Al Cl2 O5 -","- C62 H41 Al Cl2 O5 -","- C248 H164 Al4 Cl8 O20 -","4","1","","Pentzer, Emily B.; Gadzikwa, Tendai; Nguyen, SonBinh T","Substrate encapsulation: an efficient strategy for the RCM synthesis of unsaturated epsilon-lactones.","Organic letters","2008","10","24","5613","5615","10.1021/ol8022227","","","0.71073","MoKα","","0.144","0.112","","","0.3331","0.3723","","","","","","1.475","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504955","6.1454","0.0001","11.2662","0.0003","27.9745","0.0007","90","","90","","90","","1936.82","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O2 S -","- C21 H25 N O2 S -","- C84 H100 N4 O8 S4 -","4","1","","Reynolds, Troy E.; Binkley, Michael S.; Scheidt, Karl A.","Highly selective alpha-acylvinyl anion additions to imines.","Organic letters","2008","10","22","5227","5230","10.1021/ol802227t","","","0.71073","MoKα","","0.0505","0.0388","","","0.1003","0.1263","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504956","16.062","0.004","20.088","0.005","22.642","0.006","84.27","0.03","70.17","0.02","67.43","0.03","6342","3","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C138 H160 N16 O26 -","- C138 H160 N16 O26 -","- C276 H320 N32 O52 -","2","1","","Hu, Hai-Yu; Xiang, Jun-Feng; Cao, Jing; Chen, Chuan-Feng","Folding-induced selective hydrogenation of helical 9,10-anthraquinone analogues.","Organic letters","2008","10","21","5035","5038","10.1021/ol802241h","","","0.7107","MoKα","","0.2082","0.1533","","","0.3804","0.419","","","","","","1.143","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504957","8.0388","0.0016","11.363","0.002","16.369","0.003","90","","94.27","0.03","90","","1491.1","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 N4 O6 -","- C36 H30 N4 O6 -","- C72 H60 N8 O12 -","2","0.5","","Hu, Hai-Yu; Xiang, Jun-Feng; Cao, Jing; Chen, Chuan-Feng","Folding-induced selective hydrogenation of helical 9,10-anthraquinone analogues.","Organic letters","2008","10","21","5035","5038","10.1021/ol802241h","","","0.71073","MoKα","","0.0907","0.0644","","","0.1455","0.1561","","","","","","1.158","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504958","11.6325","0.001","20.372","0.002","16.4678","0.0016","90","","97.997","0.002","90","","3864.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N3 O -","- C24 H21 N3 O -","- C192 H168 N24 O8 -","8","2","","Liu, Yuxiu; Yan, Wuming; Chen, Yunfeng; Petersen, Jeffrey L.; Shi, Xiaodong","Efficient synthesis of N-2-aryl-1,2,3-triazole fluorophores via post-triazole arylation.","Organic letters","2008","10","23","5389","5392","10.1021/ol802246q","","","0.71073","MoKα","","0.1087","0.0575","","","0.1466","0.1789","","","","","","1.009","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504959","7.5488","0.0005","11.1814","0.0008","39.297","0.003","90","","90","","90","","3316.9","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 N3 O -","- C21 H15 N3 O -","- C168 H120 N24 O8 -","8","2","","Liu, Yuxiu; Yan, Wuming; Chen, Yunfeng; Petersen, Jeffrey L.; Shi, Xiaodong","Efficient synthesis of N-2-aryl-1,2,3-triazole fluorophores via post-triazole arylation.","Organic letters","2008","10","23","5389","5392","10.1021/ol802246q","","","0.71073","MoKα","","0.0988","0.0586","","","0.1461","0.1721","","","","","","1.037","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504960","38.946","0.003","10.7963","0.0008","7.8297","0.0006","90","","90","","90","","3292.2","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H14 N4 O -","- C20 H14 N4 O -","- C160 H112 N32 O8 -","8","1","","Liu, Yuxiu; Yan, Wuming; Chen, Yunfeng; Petersen, Jeffrey L.; Shi, Xiaodong","Efficient synthesis of N-2-aryl-1,2,3-triazole fluorophores via post-triazole arylation.","Organic letters","2008","10","23","5389","5392","10.1021/ol802246q","","","0.71073","MoKα","","0.0724","0.0521","","","0.1432","0.162","","","","","","1.038","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504961","11.2387","0.0007","11.0756","0.0008","16.0605","0.0011","90","","101.096","0.001","90","","1961.8","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N3 -","- C26 H19 N3 -","- C104 H76 N12 -","4","1","","Liu, Yuxiu; Yan, Wuming; Chen, Yunfeng; Petersen, Jeffrey L.; Shi, Xiaodong","Efficient synthesis of N-2-aryl-1,2,3-triazole fluorophores via post-triazole arylation.","Organic letters","2008","10","23","5389","5392","10.1021/ol802246q","","","0.71073","MoKα","","0.0638","0.0499","","","0.1341","0.1476","","","","","","1.023","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504962","19.571","0.002","5.6984","0.0006","26.64","0.003","90","","93.686","0.002","90","","2964.8","0.5","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C38 H28 N6 -","- C38 H28 N6 -","- C152 H112 N24 -","4","0.5","","Liu, Yuxiu; Yan, Wuming; Chen, Yunfeng; Petersen, Jeffrey L.; Shi, Xiaodong","Efficient synthesis of N-2-aryl-1,2,3-triazole fluorophores via post-triazole arylation.","Organic letters","2008","10","23","5389","5392","10.1021/ol802246q","","","0.71073","MoKα","","0.08","0.055","","","0.144","0.1626","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504963","13.7484","0.001","5.8038","0.0005","17.2869","0.0014","90","","90.155","0.001","90","","1379.37","0.19","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H9 N5 O4 -","- C14 H9 N5 O4 -","- C56 H36 N20 O16 -","4","2","","Liu, Yuxiu; Yan, Wuming; Chen, Yunfeng; Petersen, Jeffrey L.; Shi, Xiaodong","Efficient synthesis of N-2-aryl-1,2,3-triazole fluorophores via post-triazole arylation.","Organic letters","2008","10","23","5389","5392","10.1021/ol802246q","","","0.71073","MoKα","","0.0669","0.0584","","","0.1535","0.1583","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504964","10.1475","0.001","15.3555","0.0014","13.0042","0.0013","90","","100.217","0.002","90","","1994.2","0.3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H21 N3 O -","- C24 H21 N3 O -","- C96 H84 N12 O4 -","4","1","","Liu, Yuxiu; Yan, Wuming; Chen, Yunfeng; Petersen, Jeffrey L.; Shi, Xiaodong","Efficient synthesis of N-2-aryl-1,2,3-triazole fluorophores via post-triazole arylation.","Organic letters","2008","10","23","5389","5392","10.1021/ol802246q","","","0.71073","MoKα","","0.0604","0.0435","","","0.113","0.1202","","","","","","0.945","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504965","10.068","0.002","16.117","0.003","13.49","0.003","90","","95.75","0.03","90","","2178","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 N2 O2 S -","- C26 H26 N2 O2 S -","- C104 H104 N8 O8 S4 -","4","1","","Chen, Xiaoqiang; Nam, Seong-Won; Jou, Min Jung; Kim, Youngmee; Kim, Sung-Jin; Park, Sungsu; Yoon, Juyoung","Hg2+ selective fluorescent and colorimetric sensor: its crystal structure and application to bioimaging.","Organic letters","2008","10","22","5235","5238","10.1021/ol8022598","","","0.71073","MoKα","","0.203","0.0575","","","0.1015","0.1363","","","","","","0.842","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504966","24.754","0.005","15.233","0.003","18.813","0.004","90","","121.63","0.03","90","","6040","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H48 Cl4 Hg2 N4 O4 S2 -","- C52 H48 Cl4 Hg2 N4 O4 S2 -","- C208 H192 Cl16 Hg8 N16 O16 S8 -","4","0.5","","Chen, Xiaoqiang; Nam, Seong-Won; Jou, Min Jung; Kim, Youngmee; Kim, Sung-Jin; Park, Sungsu; Yoon, Juyoung","Hg2+ selective fluorescent and colorimetric sensor: its crystal structure and application to bioimaging.","Organic letters","2008","10","22","5235","5238","10.1021/ol8022598","","","0.71073","MoKα","","0.1171","0.0637","","","0.1979","0.2218","","","","","","0.977","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504967","3.91","0.004","24.54","0.02","9.892","0.009","90","","98.276","0.012","90","","939.3","1.5","113.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 Cl2 O -","- C10 H8 Cl2 O -","- C40 H32 Cl8 O4 -","4","1","","Kashiwabara, Taigo; Fuse, Kouichiro; Hua, Ruimao; Tanaka, Masato","Rhodium-complex-catalyzed addition reactions of chloroacetyl chlorides to alkynes.","Organic letters","2008","10","23","5469","5472","10.1021/ol802260w","","","0.7107","MoKα","","","0.0296","","","","0.0429","","","","","","1.002","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504968","11.563","0.003","12.755","0.003","11.583","0.003","90","","98.139","0.003","90","","1691.1","0.7","113.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C9 H20 Cl3 O2 P2 Rh -","- C9 H20 Cl3 O2 P2 Rh -","- C36 H80 Cl12 O8 P8 Rh4 -","4","1","","Kashiwabara, Taigo; Fuse, Kouichiro; Hua, Ruimao; Tanaka, Masato","Rhodium-complex-catalyzed addition reactions of chloroacetyl chlorides to alkynes.","Organic letters","2008","10","23","5469","5472","10.1021/ol802260w","","","0.7107","MoKα","","","0.044","","","","0.058","","","","","","0.988","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504969","16.4539","0.0015","13.1086","0.0015","26.12","0.002","90","","90","","90","","5633.8","0.9","113.1","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H28 Cl3 O2 P2 Rh -","- C29 H28 Cl3 O2 P2 Rh -","- C232 H224 Cl24 O16 P16 Rh8 -","8","1","","Kashiwabara, Taigo; Fuse, Kouichiro; Hua, Ruimao; Tanaka, Masato","Rhodium-complex-catalyzed addition reactions of chloroacetyl chlorides to alkynes.","Organic letters","2008","10","23","5469","5472","10.1021/ol802260w","","","0.7107","MoKα","","","0.0682","","","","0.1878","","","","","","1.29","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504970","12.108","0.002","17.388","0.003","17.465","0.003","90","","104.982","0.002","90","","3552","1","113.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H32 As2 Cl3 O2 Rh -","- C39 H32 As2 Cl3 O2 Rh -","- C156 H128 As8 Cl12 O8 Rh4 -","4","1","","Kashiwabara, Taigo; Fuse, Kouichiro; Hua, Ruimao; Tanaka, Masato","Rhodium-complex-catalyzed addition reactions of chloroacetyl chlorides to alkynes.","Organic letters","2008","10","23","5469","5472","10.1021/ol802260w","","","0.7107","MoKα","","","0.0394","","","","0.0523","","","","","","0.824","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504971","6.0385","0.0003","11.2413","0.0006","13.3832","0.0008","93.881","0.004","91.237","0.004","95.11","0.004","902.43","0.09","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H24 O8 -","- C16 H24 O8 -","- C32 H48 O16 -","2","1","","Zhou, Xiongfei; Wu, Wanqing; Liu, Xiaozu; Lee, Chi-Sing","Base-catalyzed Diels-Alder reactions of 2H-pyran-2,5-diones: a mild approach to basiliolide B.","Organic letters","2008","10","24","5525","5528","10.1021/ol8022787","","","0.71073","MoKα","","0.0641","0.0379","","","0.0928","0.0989","","","","","","0.933","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504972","14.617","0.003","18.06","0.003","19.492","0.003","85.093","0.008","88.883","0.008","86.647","0.008","5117.4","1.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","2,7-Di(bisbenzothiadiazolyl)-9,9-dioctylfluorene","","- C53.5 H52 N8 O0.5 S4 -","- C53.5 H50 N8 O0.5 S4 -","- C214 H200 N32 O2 S16 -","4","2","","Anant, Piyush; Lucas, Nigel T.; Jacob, Josemon","A simple route toward the synthesis of bisbenzothiadiazole derivatives.","Organic letters","2008","10","24","5533","5536","10.1021/ol8022837","","","0.71073","MoKα","","0.1738","0.0967","","","0.2528","0.314","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504973","40.494","0.002","15.6042","0.0009","9.6955","0.0006","90","","90.201","0.002","90","","6126.3","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","7,7'-di(9,9-dioctylfluoren-2-yl)-4,4'-bis(2,1,3-benzothiadazole)","","- C70.25 H86.25 Cl0.75 N4 S2 -","- C70.26 H86.26 Cl0.78 N4 S2 -","- C281.04 H345.04 Cl3.12 N16 S8 -","4","0.5","","Anant, Piyush; Lucas, Nigel T.; Jacob, Josemon","A simple route toward the synthesis of bisbenzothiadiazole derivatives.","Organic letters","2008","10","24","5533","5536","10.1021/ol8022837","","","0.71073","MoKα","","0.0734","0.0476","","","0.1163","0.1313","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504974","14.7647","0.0013","9.1378","0.0008","17.0916","0.0015","90","","100.067","0.002","90","","2270.4","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 N3 -","- C28 H25 N3 -","- C112 H100 N12 -","4","1","","Son, Ho-Jin; Han, Won-Sik; Wee, Kyung-Ryang; Yoo, Dae-Hwan; Lee, Jong-Ho; Kwon, Soon-Nam; Ko, Jaejung; Kang, Sang Ook","Turning on fluorescent emission from C-alkylation on quinoxaline derivatives.","Organic letters","2008","10","23","5401","5404","10.1021/ol802287k","","","0.71073","MoKα","","0.0786","0.047","","","0.1233","0.1501","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504975","6.4058","0.0008","11.0838","0.0014","28.504","0.004","90","","90","","90","","2023.8","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 O6 S Si -","- C18 H28 O6 S Si -","- C72 H112 O24 S4 Si4 -","4","1","","Mortimer, Anne J Price; Aliev, Abil E.; Tocher, Derek A.; Porter, Michael J.","Synthesis of the tagetitoxin core via photo-Stevens rearrangement.","Organic letters","2008","10","23","5477","5480","10.1021/ol802297h","","","0.71073","MoKα","","0.0595","0.0485","","","0.1083","0.1148","","","","","","1.036","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504976","7.9159","0.0016","6.2842","0.0013","14.983","0.003","90","","93.66","0.03","90","","743.8","0.3","113","2","113","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H16 O4 -","- C18 H16 O4 -","- C36 H32 O8 -","2","1","","Hu, Bao; Xing, Siyang; Wang, Zhongwen","Lewis acid catalyzed ring-opening intramolecular Friedel-Crafts alkylation of methylenecyclopropane 1,1-diesters.","Organic letters","2008","10","23","5481","5484","10.1021/ol802301e","","","0.71073","MoKα","","0.0423","0.0359","","","0.091","0.0942","","","","","","1.008","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504977","6.0675","0.0012","7.6494","0.0015","30.672","0.006","90","","90","","90","","1423.6","0.5","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Cl O4 -","- C15 H15 Cl O4 -","- C60 H60 Cl4 O16 -","4","1","","Hu, Bao; Xing, Siyang; Wang, Zhongwen","Lewis acid catalyzed ring-opening intramolecular Friedel-Crafts alkylation of methylenecyclopropane 1,1-diesters.","Organic letters","2008","10","23","5481","5484","10.1021/ol802301e","","","0.71073","MoKα","","0.0358","0.034","","","0.0874","0.0892","","","","","","1.036","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504978","11.8669","0.0013","9.9929","0.0011","19.656","0.002","90","","101.36","0.002","90","","2285.2","0.4","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 -","- C30 H28 -","- C120 H112 -","4","1","","Chen, Wanli; Cao, Jian; Huang, Xian","Palladium-catalyzed highly regioselective [3 + 2] cycloaddition reactions of alkylidenecyclopropa[b]naphthalenes with alkenes or alkynes: an efficient synthesis of 1(3)-alkylidene-2,3-dihydro-1H-benzo[f]indenes and 1-alkylidene-1H-benzo[f]indenes.","Organic letters","2008","10","24","5537","5540","10.1021/ol8023083","","","0.71073","MoKα","","0.1006","0.0577","","","0.1361","0.1548","","","","","","0.919","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504979","5.7133","0.0001","8.3317","0.0002","13.9177","0.0005","90","","93.992","0.001","90","","660.9","0.03","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C30 H34 N2 O6 -","2","1","","Bonne, Damien; Salat, Lydie; Dulcère, Jean-Pierre; Rodriguez, Jean","Sequential organocatalyzed Michael addition/[3 + 2]-heterocyclization for the stereoselective synthesis of fused-isoxazoline precursors of enantiopure cyclopentanoids.","Organic letters","2008","10","23","5409","5412","10.1021/ol8023133","","x-ray","0.71073","MoKα","","0.0414","0.0344","","","0.0795","0.0844","","","","","","1.048","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504980","6.1561","0.0001","10.6114","0.0001","14.3465","0.0002","90","","90.572","0.001","90","","937.14","0.02","193","2","193","2","","","","","","","chemical synthesis","3","P 1 21 1","P 2yb","4","","","","- C22 H30 O4 -","- C22 H30 O4 -","- C44 H60 O8 -","2","1","","Kürti, László; Czakó, Barbara; Corey, E. J.","A short, scalable synthesis of the carbocyclic core of the anti-angiogenic cortistatins from (+)-estrone by B-ring expansion.","Organic letters","2008","10","22","5247","5250","10.1021/ol802328n","","","0.71073","MoKα","","0.0382","0.0354","","","0.0919","0.0942","","","","","","1.031","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504981","16.369","0.007","15.516","0.003","9.214","0.003","90","","98.51","0.04","90","","2314.4","1.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 F6 N3 O2 P -","- C26 H18 F6 N3 O2 P -","- C104 H72 F24 N12 O8 P4 -","4","1","","Kumar, Subodh; Luxami, Vijay; Kumar, Ashwani","Chromofluorescent probes for selective detection of fluoride and acetate ions.","Organic letters","2008","10","24","5549","5552","10.1021/ol802352j","","","0.71073","MoKα","","0.2326","0.1214","","","0.2531","0.3092","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504982","11.866","0.004","19.507","0.007","12.211","0.005","90","","103.446","0.015","90","","2749","1.8","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H48 B2 Cl2 N6 O2 -","- C69 H48 B2 Cl2 N6 O2 -","- C138 H96 B4 Cl4 N12 O4 -","2","0.5","","Inokuma, Yasuhide; Osuka, Atsuhiro","3,3'- and 4,4'-biphenylene-bridged subporphyrin dimers.","Organic letters","2008","10","24","5561","5564","10.1021/ol8023924","","","0.71075","MoKα","","0.1116","0.0822","","","0.2517","0.2784","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504983","9.4561","0.0019","12.914","0.003","11.47","0.002","90","","109.58","0.03","90","","1319.7","0.5","183","2","183","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H15 F15 N4 O6 S2 -","- C15 H15 F15 N4 O6 S2 -","- C30 H30 F30 N8 O12 S4 -","2","1","","Lu, Changqing; VanDerveer, Don; DesMarteau, Darryl D.","Fluoroalkylation of imidazoles by hypervalent iodonium salts.","Organic letters","2008","10","24","5565","5568","10.1021/ol802399z","","","0.71073","MoKα","","0.0334","0.0305","","","0.0714","0.0727","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504984","9.823","0.002","7.302","0.0015","23.688","0.005","90","","90","","90","","1699.1","0.6","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H3 F7 N2 -","- C6 H3 F7 N2 -","- C48 H24 F56 N16 -","8","1","","Lu, Changqing; VanDerveer, Don; DesMarteau, Darryl D.","Fluoroalkylation of imidazoles by hypervalent iodonium salts.","Organic letters","2008","10","24","5565","5568","10.1021/ol802399z","","","0.71073","MoKα","","0.2384","0.1748","","","0.4132","0.4888","","","","","","1.447","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504985","5.2386","0.001","7.027","0.0014","18.63","0.004","95.04","0.03","94.36","0.03","106.48","0.03","651.4","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H6 F9 N3 O3 -","- C8 H6 F9 N3 O3 -","- C16 H12 F18 N6 O6 -","2","1","","Lu, Changqing; VanDerveer, Don; DesMarteau, Darryl D.","Fluoroalkylation of imidazoles by hypervalent iodonium salts.","Organic letters","2008","10","24","5565","5568","10.1021/ol802399z","","","0.71073","MoKα","","0.1554","0.1291","","","0.3373","0.3961","","","","","","1.574","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504986","21.6415","0.0015","7.7284","0.0005","11.7898","0.0008","90","","102.402","0.004","90","","1925.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O4 -","- C24 H21 N O4 -","- C96 H84 N4 O16 -","4","1","","Rigby, James H.; Laurent, Stéphane B; Kamal, Zeeshan; Heeg, Mary Jane","Chromium(0)-promoted [6pi + 2pi] cycloadditions of allenes with cycloheptatriene.","Organic letters","2008","10","24","5609","5612","10.1021/ol802401a","","","0.71073","MoKα","","0.0996","0.0515","","","0.1156","0.1332","","","","","","0.948","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504987","7.4379","0.0002","10.6548","0.0003","13.3291","0.0004","82.488","0.002","88.229","0.001","78.635","0.001","1026.71","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H16 O2 -","- C13 H16 O2 -","- C52 H64 O8 -","4","2","","Rigby, James H.; Laurent, Stéphane B; Kamal, Zeeshan; Heeg, Mary Jane","Chromium(0)-promoted [6pi + 2pi] cycloadditions of allenes with cycloheptatriene.","Organic letters","2008","10","24","5609","5612","10.1021/ol802401a","","","0.71073","MoKα","","0.058","0.0427","","","0.1055","0.113","","","","","","1.015","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504988","14.1767","0.0003","29.5845","0.0007","5.5128","0.0001","90","","90","","90","","2312.13","0.08","100","2","100","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C112 H144 O16 -","8","0.5","","Avetta, Jr, Christopher T; Konkol, Leah C.; Taylor, Carla N.; Dugan, Karen C.; Stern, Charlotte L.; Thomson, Regan J.","Diastereoselective oxidative carbon-carbon bond formation via silyl bis-enol ethers.","Organic letters","2008","10","24","5621","5624","10.1021/ol802516z","","","0.71073","MoKα","","0.0418","0.0337","","","0.0844","0.088","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504989","13.755","0.012","6.832","0.003","16.505","0.009","90","","104.58","0.04","90","","1501.1","1.7","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O2 -","- C20 H18 O2 -","- C80 H72 O8 -","4","1","","Avetta, Jr, Christopher T; Konkol, Leah C.; Taylor, Carla N.; Dugan, Karen C.; Stern, Charlotte L.; Thomson, Regan J.","Diastereoselective oxidative carbon-carbon bond formation via silyl bis-enol ethers.","Organic letters","2008","10","24","5621","5624","10.1021/ol802516z","","","0.71073","MoKα","","0.0701","0.0521","","","0.1329","0.1444","","","","","","1.061","","","","has coordinates","198633","2020-10-21","18:00:00",""
"1504990","17.2971","0.0014","10.1245","0.0008","17.4254","0.0014","90","","92.827","0.001","90","","3047.9","0.4","217","2","217","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C16 H22 O2 -","- C16 H22 O2 -","- C128 H176 O16 -","8","2","","Avetta, Jr, Christopher T; Konkol, Leah C.; Taylor, Carla N.; Dugan, Karen C.; Stern, Charlotte L.; Thomson, Regan J.","Diastereoselective oxidative carbon-carbon bond formation via silyl bis-enol ethers.","Organic letters","2008","10","24","5621","5624","10.1021/ol802516z","","","0.71073","MoKα","","0.1432","0.073","","","0.1934","0.2226","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504991","10.5135","0.0007","11.5696","0.0008","20.9548","0.0015","89.836","0.002","81.312","0.002","87.828","0.002","2517.8","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H18 O2 -","- C16 H18 O2 -","- C128 H144 O16 -","8","4","","Avetta, Jr, Christopher T; Konkol, Leah C.; Taylor, Carla N.; Dugan, Karen C.; Stern, Charlotte L.; Thomson, Regan J.","Diastereoselective oxidative carbon-carbon bond formation via silyl bis-enol ethers.","Organic letters","2008","10","24","5621","5624","10.1021/ol802516z","","","0.71073","MoKα","","0.1286","0.0896","","","0.2155","0.2458","","","","","","0.989","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504992","6.4256","0.0007","9.869","0.001","11.9398","0.0012","101.571","0.002","97.45","0.002","91.005","0.002","734.76","0.13","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H26 O2 -","- C16 H26 O2 -","- C32 H52 O4 -","2","1","","Avetta, Jr, Christopher T; Konkol, Leah C.; Taylor, Carla N.; Dugan, Karen C.; Stern, Charlotte L.; Thomson, Regan J.","Diastereoselective oxidative carbon-carbon bond formation via silyl bis-enol ethers.","Organic letters","2008","10","24","5621","5624","10.1021/ol802516z","","","0.71073","MoKα","","0.0707","0.0547","","","0.1375","0.1498","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504993","5.985","0.003","8.644","0.004","12.082","0.006","90","","100.371","0.007","90","","614.8","0.5","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C28 H40 O4 -","2","1","","Avetta, Jr, Christopher T; Konkol, Leah C.; Taylor, Carla N.; Dugan, Karen C.; Stern, Charlotte L.; Thomson, Regan J.","Diastereoselective oxidative carbon-carbon bond formation via silyl bis-enol ethers.","Organic letters","2008","10","24","5621","5624","10.1021/ol802516z","","","0.71073","MoKα","","0.0335","0.0304","","","0.08","0.0945","","","","","","1.219","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504994","7.551","0.002","9.856","0.003","8.964","0.003","90","","97.69","0.04","90","","661.1","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C30 H40 O4 -","2","1","","Avetta, Jr, Christopher T; Konkol, Leah C.; Taylor, Carla N.; Dugan, Karen C.; Stern, Charlotte L.; Thomson, Regan J.","Diastereoselective oxidative carbon-carbon bond formation via silyl bis-enol ethers.","Organic letters","2008","10","24","5621","5624","10.1021/ol802516z","","","0.71073","MoKα","","0.0431","0.0403","","","0.108","0.1117","","","","","","0.979","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504995","6.5256","0.0001","10.4668","0.0002","20.1731","0.0005","90","","90","","90","","1377.87","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O2 -","- C16 H22 O2 -","- C64 H88 O8 -","4","1","","Avetta, Jr, Christopher T; Konkol, Leah C.; Taylor, Carla N.; Dugan, Karen C.; Stern, Charlotte L.; Thomson, Regan J.","Diastereoselective oxidative carbon-carbon bond formation via silyl bis-enol ethers.","Organic letters","2008","10","24","5621","5624","10.1021/ol802516z","","","0.71073","MoKα","","0.0526","0.0391","","","0.1056","0.138","","","","","","1.347","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504996","10.4888","0.0017","12.241","0.002","12.347","0.002","90","","90","","90","","1585.3","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O2 -","- C20 H22 O2 -","- C80 H88 O8 -","4","1","","Avetta, Jr, Christopher T; Konkol, Leah C.; Taylor, Carla N.; Dugan, Karen C.; Stern, Charlotte L.; Thomson, Regan J.","Diastereoselective oxidative carbon-carbon bond formation via silyl bis-enol ethers.","Organic letters","2008","10","24","5621","5624","10.1021/ol802516z","","","0.71073","MoKα","","0.0392","0.0365","","","0.0954","0.0979","","","","","","1.058","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1509008","2.8253","","2.8253","","4.471","","90","","90","","120","","30.908","","303.15","","303.15","","","","","","Sample alloy was heat-treated at 430 degrees Celsius for 48 days.","","","2","P 63/m m c","-P 6c 2c","194","","Silver zinc (0.6/1.4)","","- Ag0.6 Zn1.4 -","- Ag0.61 Zn1.39 -","- Ag0.61 Zn1.39 -","1","0.0416667","","Massalski, T. B.; King, H. W.","The lattice spacing relationships in H.C.P. epsilon and eta phases in the systems Cu - Zn, Ag - Zn; Au - Zn and Ag - Cd","Acta Metallurgica","1962","10","","1171","1181","10.1016/0001-6160(62)90170-0","","","","","","","","","","","","","","","","","","","","","has coordinates","191775","2020-10-21","18:00:00",""
"1509051","2.95","","2.95","","4.77","","90","","90","","120","","35.95","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Silver antimomy (0.86/0.14)","","- Ag0.86 Sb0.14 -","- Ag0.86 Sb0.14 -","- Ag1.72 Sb0.28 -","2","0.0833333","","Cabri, L.J.; Petruk, W.; Harris, D.C.; Clark, L.A.; Stewart, J.M.","Allargentum, redefined","Canadian Mineralogist","1970","10","","163","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509106","3.4275","","3.4275","","6.3977","","90","","90","","120","","65.089","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Silver titanium sulfide (.35/1/2)","","- Ag0.35 S2 Ti -","- Ag0.346 S2 Ti -","- Ag0.346 S2 Ti -","1","0.0833333","","Wiegers, G.A.; Haange, R.J.; Gerards, A.G.; Boukamp, B.A.; Roede, H.","Structure and electrochemical properties of intercalation compounds in the system silver-titanium disulfide, Ag x Ti S2","Synthetic metals","1984","10","","51","66","10.1016/0379-6779(84)90079-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509111","3.0863","","3.0863","","4.8177","","90","","90","","120","","39.742","","303.15","","303.15","","","","","","Sample alloy was heat-treated at 305 degrees Celsius for 31 days.","","","2","P 63/m m c","-P 6c 2c","194","","Silver cadmium (0.4/1.6)","","- Ag0.4 Cd1.6 -","- Ag0.42 Cd1.58 -","- Ag0.42 Cd1.58 -","1","0.0416667","","Massalski, T. B.; King, H. W.","The lattice spacing relationships in H.C.P. epsilon and eta phases in the systems Cu - Zn, Ag - Zn; Au - Zn and Ag - Cd","Acta Metallurgica","1962","10","","1171","1181","10.1016/0001-6160(62)90170-0","","","","","","","","","","","","","","","","","","","","","has coordinates","191775","2020-10-21","18:00:00",""
"1509139","5.148","","5.148","","5.148","","90","","90","","90","","136.432","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","Radium","","- Ra -","- Ra -","- Ra2 -","2","0.0208333","","Weigel, F.; Trinkl, A.","Zur Kristallchemie des Radiums, III. Darstellung, Kristallstruktur und Atomradius des metallischen Radiums","Radiochimica Acta","1968","10","1-2","78","82","10.1524/ract.1968.10.12.78","","","","","","","","","","","","","","","","","","","","","has coordinates","175284","2020-10-21","18:00:00",""
"1509232","2.896","","2.896","","12.219","","90","","90","","120","","88.749","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ag Al O2 -","- Ag Al O2 -","- Ag2 Al2 O4 -","2","0.0833333","","Jansen, M.; Brachtel, G.","2H - Ag Al O2","Crystal Structure Communications","1981","10","","173","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509353","5.853","","5.853","","10.82","","90","","90","","90","","370.667","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Ag Ga Sn Se4","","- Ag Ga Se4 Sn -","- Ag Ga Se4 Sn -","- Ag2 Ga2 Se8 Sn2 -","2","0.125","","Rivera, A.V.; Lopez-Rivera, A.; Gomez, C.D.; de Gil, E.R.","X-Ray Crystal Structure of the Quaternary Semiconductor Compound: Ag Ga Sn Se4","Progress in Crystal Growth and Characterization","1985","10","","217","223","10.1016/0146-3535(84)90038-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509384","5.106","","5.106","","5.106","","90","","90","","90","","133.12","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","","","- Ag I -","- Ag1.0002 I -","- Ag2.0004 I2 -","2","0.0208333","","Wright, A.F.; Fender, B.E.F.","The structure of superionic compounds by powder neutron diffraction I. Cation distribution in alpha - Ag I","Journal of Physics C","1977","10","","2261","2267","10.1088/0022-3719/10/13/003","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509541","9.7","","9.7","","8.25","","90","","90","","120","","672.246","","","","","","","","","","","","","3","P -3 1 m","-P 3 2","162","","Ag Tl Se2","","- Ag Se2 Tl -","- Ag Se2 Tl -","- Ag6 Se12 Tl6 -","6","0.5","","Pinsker, Z.G.; Imamov, R.M.","Electron diffraction study of the compound Ag Tl Se2","Kristallografiya","1965","10","","199","204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509564","3.61","","3.61","","3.61","","90","","90","","90","","47.046","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ag Y -","- Ag Y -","- Ag Y -","1","0.0208333","","Erdberg, M.v.; Luetz, U.; Gebhart, E.","The systems silver-yttrium and silver-samarium","IMD special report series","1964","10","","303","314","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509714","7.05","","7.85","","4.33","","90","","90","","90","","239.633","","","","","","","","","","","","","2","P 2 2 21","P 2c 2","17","","","","- Ag2 Se -","- Ag2 Se -","- Ag8 Se4 -","4","1","","Imamov, R.M.; Pinsker, Z.G.; Ching-Liang, C.; Lapidus, E.L.","Determination of the crystal structure of the low-temperature phase alpha-Ag2 Se","Kristallografiya","1965","10","","275","283","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509984","10.89","","12.03","","5.92","","90","","90","","90","","775.56","","","","","","","","","","","","","3","P n 2 n","P -2n -2n","34","","Ag8 W4 O16","","- Ag8 O16 W4 -","- Ag8 O16 W4 -","- Ag16 O32 W8 -","2","0.5","","Geller, S.; Skarstad, P.M.","(W4 (W4 O16)(-VIII) polyion in the high temperature modification of silver tungstate","Materials Research Bulletin","1975","10","","791","800","10.1016/0025-5408(75)90193-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1510067","2.8122","","2.8122","","4.3721","","90","","90","","120","","29.944","","303.15","","303.15","","","","","","Sample alloy was heat-treated at 395 degrees Celsius for 41 days.","","","2","P 63/m m c","-P 6c 2c","194","","(Au Zn9)0.2","","- Au0.24 Zn1.76 -","- Au0.24 Zn1.76 -","- Au0.24 Zn1.76 -","1","0.0416667","","Massalski, T. B.; King, H. W.","The lattice spacing relationships in H.C.P. epsilon and eta phases in the systems Cu - Zn, Ag - Zn; Au - Zn and Ag - Cd","Acta Metallurgica","1962","10","","1171","1181","10.1016/0001-6160(62)90170-0","","","","","","","","","","","","","","","","","","","","","has coordinates","191775","2020-10-21","18:00:00",""
"1510090","4.02","","11.867","","8.773","","90","","90","","90","","418.519","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Au Te2 Cl","","- Au Cl Te2 -","- Au Cl Te2 -","- Au4 Cl4 Te8 -","4","0.25","","Rosenstein, G.; Haendler, H.M.; Rabenau, A.; Mootz, D.","The Crystal Structures of Au Te2 Cl and Au Te2 I","Journal of Solid State Chemistry","1974","10","","175","181","10.1016/0022-4596(74)90024-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510184","4.056","","12.579","","4.741","","90","","90","","90","","241.888","","","","","","","","","","","","","3","P m m b","-P 2b 2","51","","Au Te2 I","","- Au I Te2 -","- Au I Te2 -","- Au2 I2 Te4 -","2","0.25","","Rabenau, A.; Haendler, H.M.; Rosenstein, G.; Mootz, D.","The Crystal Structures of Au Te2 Cl and Au Te2 I","Journal of Solid State Chemistry","1974","10","","175","181","10.1016/0022-4596(74)90024-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1510267","5.165","","5.165","","5.165","","90","","90","","90","","137.788","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","(Au0.5 Os0.5) Nb3","","- Au0.5 Nb3 Os0.5 -","- Au0.5 Nb3 Os0.5 -","- Au Nb6 Os -","2","0.0416667","","Dwight, A.E.","Alloying behavior of columbium","Metallurgical Society Conferences, Proceedings","1961","10","","383","405","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510445","4.63","","4.63","","2.73","","90","","90","","120","","50.682","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Au2 Nb -","- Au2 Nb -","- Au2 Nb -","1","0.0416667","","Dwight, A.E.","Alloying behavior of columbium","Metallurgical Society Conferences, Proceedings","1961","10","","383","405","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510527","4.07298","","4.07298","","4.07298","","90","","90","","90","","67.567","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Au9 Ga)0.4","","- Au3.6 Ga0.4 -","- Au3.6 Ga0.4 -","- Au3.6 Ga0.4 -","1","0.00520833","","Hume-Rothery, W.; Cooke, C.J.","The equilibrium diagram of the system gold-gallium","Journal of the Less-Common Metals","1966","10","","42","51","10.1016/0022-5088(66)90044-0","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510670","5.358","","9.25","","3.097","","90","","90.35","","90","","153.489","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Er Rh3 B2","","- B2 Er Rh3 -","- B2 Er Rh3 -","- B4 Er2 Rh6 -","2","0.25","","Takei, H.; Higashi, I.; Bernhard, J.; Fukuda, T.; Shishido, T.; Lebech, B.; Harris, P.","Crystal and magnetic structure of Er Rh3 B2 studied by neutron diffraction","JJAP Series [JJAP=Japanese Journal of Applied Physics]","1994","10","","146","147","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510755","3.036","","3.036","","3.098","","90","","90","","120","","24.73","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Mn0.64 Mo0.36) B2","","- B2 Mn0.64 Mo0.36 -","- B2 Mn0.64 Mo0.36 -","- B2 Mn0.64 Mo0.36 -","1","0.0416667","","Telegus, V.S.; Kuz'ma, Yu.B.","Phase equilibria in the systems vanadium-manganese-boron, molybdenum-manganese-boron, and tungsten-manganese-boron","Poroshkovaya Metallurgiya","1971","10","","52","56","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510762","3.068","","3.068","","3.143","","90","","90","","120","","25.62","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Nb.28 Mo.72 B2","","- B2 Mo0.72 Nb0.28 -","- B2 Mo0.72 Nb0.28 -","- B2 Mo0.72 Nb0.28 -","1","0.0416667","","Kuz'ma, Yu.B.","An X-ray structural investigation of the systems niobiumtitanium-boron and niobium-molybdenum-boron","Poroshkovaya Metallurgiya","1971","10","","298","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510865","10.9875","","10.9875","","23.9937","","90","","90","","120","","2508.57","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","(Mn B23.28)1.105","","- B25.7244 Mn1.105 -","- B25.725 Mn1.1055 -","- B308.7 Mn13.266 -","12","0.333333","","Callmer, B.; Andersson, S.","The solubilities of copper and manganese in beta-rhombohedral boron as determined in Cu B28 and Mn B23 by single crystal diffractometry","Journal of Solid State Chemistry","1974","10","","219","321","10.1016/0022-4596(74)90029-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510893","5.053","","5.053","","12.89","","90","","90","","120","","285.024","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Ce2 Co7 B3","","- B3 Ce2 Co7 -","- B3 Ce2 Co7 -","- B6 Ce4 Co14 -","2","0.0833333","","Kuz'ma, Yu.B.; Bilonizhko, N.S.","The system cerium - cobalt - boron","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1974","10","","265","267","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511175","6.9436","","6.9436","","6.8688","","90","","90","","120","","286.801","","","","","","","","","","","","","4","P 31","P 31","144","","Pr B (Ge O5)","","- B Ge O5 Pr -","- B Ge O5 Pr -","- B3 Ge3 O15 Pr3 -","3","1","","David, W.I.F.; Forsyth, J.B.; Belokoneva, E.L.; Knight, K.S.","Structures and phase transitions of Pr B Ge O5 in the temperature range 20 - 800 C","Journal of Physics: Condensed Matter","1998","10","","9975","9989","10.1088/0953-8984/10/44/006","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511176","12.0202","","12.0202","","6.7999","","90","","90","","120","","850.857","","","","","","","","","","","","","4","P 31","P 31","144","","Pr B (Ge O5)","","- B Ge O5 Pr -","- B Ge O5 Pr -","- B9 Ge9 O45 Pr9 -","9","3","","Knight, K.S.; Belokoneva, E.L.; David, W.I.F.; Forsyth, J.B.","Structures and phase transitions of Pr B Ge O5 in the temperature range 20 - 800 C","Journal of Physics: Condensed Matter","1998","10","","9975","9989","10.1088/0953-8984/10/44/006","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511417","8.408","","16.672","","13.901","","90","","106.33","","90","","1870.01","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Sr2 B16 O26","","- B16 O26 Sr2 -","- B16 O26 Sr2 -","- B64 O104 Sr8 -","4","1","","Tang Zhihua; Chen Xuean; Li Ming","Synthesis and crystal structure of a new strontium borate, Sr2 B16 O26","Solid State Sciences","2008","10","","894","900","10.1016/j.solidstatesciences.2007.10.029","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511435","10.983","","10.983","","24.1561","","90","","90","","120","","2523.48","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","(Mg B19.615)0.971","","- B19.046165 Mg0.971 -","- B19.0462 Mg0.97125 -","- B304.74 Mg15.54 -","16","0.444444","","Colapietro, M.; Palenzona, A.; Brutti, S.; Balducci, G.; Manfrinetti, P.; Barba, L.","Synchrotron powder diffraction Rietveld refinement of Mg B20 crystal structure","Intermetallics","2002","10","","811","817","10.1016/S0966-9795(02)00060-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511636","5.045","","5.045","","9.925","","90","","90","","120","","218.768","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Ce3 Co11 B4","","- B4 Ce3 Co11 -","- B4 Ce3 Co11 -","- B4 Ce3 Co11 -","1","0.0416667","","Kuz'ma, Yu.B.; Bilonizhko, N.S.","The system cerium - cobalt - boron","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1974","10","","265","267","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512142","6.617","0.0003","19.6403","0.001","20.1853","0.0009","90","","90","","90","","2623.3","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H35 N O5 -","- C30 H35 N O5 -","- C120 H140 N4 O20 -","4","1","","Childs, Scott L.; Kandi, Praveen; Lingireddy, Sreenivas Reddy","Formulation of a danazol cocrystal with controlled supersaturation plays an essential role in improving bioavailability.","Molecular pharmaceutics","2013","10","8","3112","3127","10.1021/mp400176y","","","1.54178","CuKα","","0.0409","0.0384","","","0.0996","0.1016","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513097","25.3872","0.0006","13.6881","0.0003","44.9208","0.0012","90","","103.268","0.002","90","","15193.4","0.6","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H86 N28 O36 -","- C42 H42 N28 O14 -","- C336 H336 N224 O112 -","8","2","","Ma, Wen-Juan; Chen, Jia-Mei; Jiang, Long; Yao, Jia; Lu, Tong-Bu","The Delivery of Triamterene by Cucurbit[7]uril: Synthesis, Structures and Pharmacokinetics Study.","Molecular pharmaceutics","2013","10","12","4698","4705","10.1021/mp400529m","","","1.5418","CuKα","","0.0979","0.072","","","0.1947","0.2091","","","","","","1.183","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513098","35.5457","0.0006","35.5457","0.0006","29.5785","0.0008","90","","90","","90","","37372.3","1.3","150","2","150","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C54 H107 Cl2 N35 O40 -","- C54 H55 Cl2 N35 O37 -","- C864 H880 Cl32 N560 O592 -","16","","","Ma, Wen-Juan; Chen, Jia-Mei; Jiang, Long; Yao, Jia; Lu, Tong-Bu","The Delivery of Triamterene by Cucurbit[7]uril: Synthesis, Structures and Pharmacokinetics Study.","Molecular pharmaceutics","2013","10","12","4698","4705","10.1021/mp400529m","","","1.54184","CuKα","","0.1433","0.1123","","","0.2241","0.2377","","","","","","1.071","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513100","40.8323","0.0004","40.8323","0.0004","23.3137","0.0005","90","","90","","90","","38870.4","1","150","2","150","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C54 H113 Cl2 N35 O43 -","- C54 H55 Cl2 N35 O39 -","- C864 H880 Cl32 N560 O624 -","16","","","Ma, Wen-Juan; Chen, Jia-Mei; Jiang, Long; Yao, Jia; Lu, Tong-Bu","The Delivery of Triamterene by Cucurbit[7]uril: Synthesis, Structures and Pharmacokinetics Study.","Molecular pharmaceutics","2013","10","12","4698","4705","10.1021/mp400529m","","","1.54184","CuKα","","0.1686","0.1354","","","0.2449","0.2592","","","","","","1.097","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515708","11.979","0.013","7.958","0.008","15.235","0.016","90","","104.894","0.013","90","","1404","3","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 O3 -","- C17 H16 O3 -","- C68 H64 O12 -","4","1","","Kikuchi, Azusa; Saito, Haruo; Mori, Masao; Yagi, Mikio","Photoexcited triplet states of new UV absorbers, cinnamic acid 2-methylphenyl esters.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","12","1902","1909","10.1039/c1pp05168g","","","0.71073","MoKα","","0.0381","0.0315","","","0.0805","0.0856","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515709","9.935","0.005","23.9","0.005","13.513","0.005","90","0.005","103.184","0.005","90","0.005","3124","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 B F2 N3 -","- C17 H16 B F2 N3 -","- C136 H128 B8 F16 N24 -","8","2","","Chen, Yuting; Wan, Liang; Zhang, Daopeng; Bian, Yongzhong; Jiang, Jianzhuang","Modulation of the spectroscopic property of Bodipy derivates through tuning the molecular configuration.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","6","1030","1038","10.1039/c1pp00001b","","","0.71069","MoKα","","0.0569","0.0391","","","0.0944","0.1063","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515710","10.8454","0.001","11.8897","0.0011","13.999","0.0013","90","","105.262","0.001","90","","1741.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 B F2 N3 -","- C19 H20 B F2 N3 -","- C76 H80 B4 F8 N12 -","4","1","","Chen, Yuting; Wan, Liang; Zhang, Daopeng; Bian, Yongzhong; Jiang, Jianzhuang","Modulation of the spectroscopic property of Bodipy derivates through tuning the molecular configuration.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","6","1030","1038","10.1039/c1pp00001b","","","0.71073","MoKα","","0.0836","0.0434","","","0.087","0.0987","","","","","","0.993","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515711","11.882","0.003","8.409","0.002","44.412","0.01","90","","91.766","0.004","90","","4435.4","1.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H21 B F2 N2 O0 -","- C20 H21 B F2 N2 -","- C200 H210 B10 F20 N20 -","10","5","","Chen, Yuting; Wan, Liang; Zhang, Daopeng; Bian, Yongzhong; Jiang, Jianzhuang","Modulation of the spectroscopic property of Bodipy derivates through tuning the molecular configuration.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","6","1030","1038","10.1039/c1pp00001b","","","0.71073","MoKα","","0.1302","0.0754","","","0.1882","0.2155","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515712","6.554","0.003","26.198","0.011","9.732","0.004","90","","105.458","0.008","90","","1610.6","1.2","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 B F2 N2 O0 -","- C18 H17 B F2 N2 -","- C72 H68 B4 F8 N8 -","4","0.5","","Chen, Yuting; Wan, Liang; Zhang, Daopeng; Bian, Yongzhong; Jiang, Jianzhuang","Modulation of the spectroscopic property of Bodipy derivates through tuning the molecular configuration.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","6","1030","1038","10.1039/c1pp00001b","","","0.71073","MoKα","","0.082","0.0445","","","0.1031","0.1208","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515713","6.4804","0.0007","8.3217","0.0009","14.6304","0.0016","80.583","0.002","84.666","0.002","85.576","0.002","773.44","0.15","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H14 B F2 N3 O2 -","- C17 H14 B F2 N3 O2 -","- C34 H28 B2 F4 N6 O4 -","2","1","","Chen, Yuting; Wan, Liang; Zhang, Daopeng; Bian, Yongzhong; Jiang, Jianzhuang","Modulation of the spectroscopic property of Bodipy derivates through tuning the molecular configuration.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","6","1030","1038","10.1039/c1pp00001b","","","0.71073","MoKα","","0.0445","0.0376","","","0.1034","0.1102","","","","","","0.993","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515714","8.3449","0.0007","11.6005","0.0008","12.081","0.0008","100.343","0.006","97.027","0.006","111.076","0.007","1051.05","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H15 B Cl2 F2 N3 O2 -","- C20 H20 B Cl2 F2 N3 O2 -","- C40 H40 B2 Cl4 F4 N6 O4 -","2","1","","Chen, Yuting; Wan, Liang; Zhang, Daopeng; Bian, Yongzhong; Jiang, Jianzhuang","Modulation of the spectroscopic property of Bodipy derivates through tuning the molecular configuration.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","6","1030","1038","10.1039/c1pp00001b","","","1.54184","CuKα","","0.0784","0.0643","","","0.1719","0.1953","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515715","7.0919","0.0005","10.1566","0.0007","10.9322","0.0007","69.8118","0.0009","82.7066","0.001","79.1375","0.001","724.18","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 Cl N O3 -","- C13 H18 Cl N O3 -","- C26 H36 Cl2 N2 O6 -","2","1","","Mondal, Barnali; Captain, Burjor; Ramamurthy, V.","Photodimerization of HCl salts of azastilbenes in the solid state.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","6","891","894","10.1039/c1pp05070b","","","0.71073","MoKα","","0.0604","0.055","","","0.1553","0.1626","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515716","8.7901","0.0005","7.8","0.0004","19.3873","0.001","90","","96.962","0.001","90","","1319.45","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Mondal, Barnali; Captain, Burjor; Ramamurthy, V.","Photodimerization of HCl salts of azastilbenes in the solid state.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","6","891","894","10.1039/c1pp05070b","","","0.71073","MoKα","","0.0516","0.0436","","","0.1183","0.1271","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515717","7.4124","0.0003","9.5475","0.0004","12.201","0.0005","80.0619","0.0006","82.0762","0.0006","75.3538","0.0006","818.84","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H17 Cl F3 N O3 -","- C14 H17 Cl F3 N O3 -","- C28 H34 Cl2 F6 N2 O6 -","2","1","","Mondal, Barnali; Captain, Burjor; Ramamurthy, V.","Photodimerization of HCl salts of azastilbenes in the solid state.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","6","891","894","10.1039/c1pp05070b","","","0.71073","MoKα","","0.0512","0.0485","","","0.1336","0.1368","","","","","","1.041","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515718","4.9487","0.0003","7.8558","0.0004","16.9993","0.0009","96.3056","0.0008","91.9793","0.0008","93.8669","0.0008","654.78","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 Cl3 N -","- C13 H10 Cl3 N -","- C26 H20 Cl6 N2 -","2","1","","Mondal, Barnali; Captain, Burjor; Ramamurthy, V.","Photodimerization of HCl salts of azastilbenes in the solid state.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","6","891","894","10.1039/c1pp05070b","","","0.71073","MoKα","","0.0635","0.0593","","","0.1463","0.1497","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515719","8.3749","0.0005","8.3985","0.0005","10.2024","0.0007","66.606","0.0008","71.9947","0.0009","84.0524","0.0009","626.21","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H7 Cl F5 N -","- C13 H7 Cl F5 N -","- C26 H14 Cl2 F10 N2 -","2","1","","Mondal, Barnali; Captain, Burjor; Ramamurthy, V.","Photodimerization of HCl salts of azastilbenes in the solid state.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","6","891","894","10.1039/c1pp05070b","","","0.71073","MoKα","","0.0628","0.0565","","","0.1532","0.1575","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515720","5.8613","0.0004","9.2231","0.0006","10.9709","0.0007","71.39","0.0009","85.3708","0.0009","80.5834","0.0009","554.24","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H6 F5 N -","- C13 H6 F5 N -","- C26 H12 F10 N2 -","2","1","","Mondal, Barnali; Captain, Burjor; Ramamurthy, V.","Photodimerization of HCl salts of azastilbenes in the solid state.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","6","891","894","10.1039/c1pp05070b","","","0.71073","MoKα","","0.0613","0.0477","","","0.1394","0.1545","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515721","7.0809","0.0004","9.6992","0.0006","22.3919","0.0014","90","","98.417","0.001","90","","1521.29","0.16","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 Cl F N O2.5 -","- C13 H17 Cl F N O2.5 -","- C52 H68 Cl4 F4 N4 O10 -","4","1","","Mondal, Barnali; Captain, Burjor; Ramamurthy, V.","Photodimerization of HCl salts of azastilbenes in the solid state.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","6","891","894","10.1039/c1pp05070b","","","0.71073","MoKα","","0.122","0.1094","","","0.3589","0.3869","","","","","","1.717","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515722","7.5432","0.0006","11.7934","0.0009","11.8041","0.0009","90","","90","","90","","1050.09","0.14","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H10 F N -","- C13 H10 F N -","- C52 H40 F4 N4 -","4","0.5","","Mondal, Barnali; Captain, Burjor; Ramamurthy, V.","Photodimerization of HCl salts of azastilbenes in the solid state.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","6","891","894","10.1039/c1pp05070b","","","0.71073","MoKα","","0.06","0.0486","","","0.1263","0.1376","","","","","","1.071","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515723","7.6093","0.0005","9.1045","0.0005","10.7778","0.0006","102.503","0.0008","101.836","0.0009","92.2888","0.0009","710.68","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H15 Cl2 N O2 -","- C13 H15 Cl2 N O2 -","- C26 H30 Cl4 N2 O4 -","2","1","","Mondal, Barnali; Captain, Burjor; Ramamurthy, V.","Photodimerization of HCl salts of azastilbenes in the solid state.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","6","891","894","10.1039/c1pp05070b","","","0.71073","MoKα","","0.0537","0.0453","","","0.1339","0.1439","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515724","9.6675","0.0006","13.8938","0.0008","16.3247","0.0009","90","","94.2639","0.0008","90","","2186.6","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Cl2 N2 -","- C26 H20 Cl2 N2 -","- C104 H80 Cl8 N8 -","4","1","","Mondal, Barnali; Captain, Burjor; Ramamurthy, V.","Photodimerization of HCl salts of azastilbenes in the solid state.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","6","891","894","10.1039/c1pp05070b","","","0.71073","MoKα","","0.0682","0.0463","","","0.1127","0.125","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515725","8.0476","0.0005","9.7384","0.0006","9.9178","0.0006","99.575","0.001","98.575","0.001","108.029","0.001","711.93","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H15 Br Cl N O2 -","- C13 H15 Br Cl N O2 -","- C26 H30 Br2 Cl2 N2 O4 -","2","1","","Mondal, Barnali; Captain, Burjor; Ramamurthy, V.","Photodimerization of HCl salts of azastilbenes in the solid state.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","6","891","894","10.1039/c1pp05070b","","","0.71073","MoKα","","0.0439","0.0406","","","0.11","0.1124","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515726","9.8477","0.0005","9.4161","0.0005","24.1091","0.0012","90","","90.2071","0.0009","90","","2235.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Br2 N2 -","- C26 H20 Br2 N2 -","- C104 H80 Br8 N8 -","4","1","","Mondal, Barnali; Captain, Burjor; Ramamurthy, V.","Photodimerization of HCl salts of azastilbenes in the solid state.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","6","891","894","10.1039/c1pp05070b","","","0.71073","MoKα","","0.0696","0.0432","","","0.107","0.1203","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515727","8.0309","0.0003","9.9249","0.0004","10.0973","0.0004","97.9228","0.0005","99.416","0.0005","108.999","0.0005","734.79","0.05","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H15 Cl I N O2 -","- C13 H15 Cl I N O2 -","- C26 H30 Cl2 I2 N2 O4 -","2","1","","Mondal, Barnali; Captain, Burjor; Ramamurthy, V.","Photodimerization of HCl salts of azastilbenes in the solid state.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","6","891","894","10.1039/c1pp05070b","","","0.71073","MoKα","","0.029","0.0277","","","0.0758","0.0768","","","","","","1.122","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515728","9.5861","0.0004","9.7404","0.0004","24.7898","0.001","90","","90.1197","0.0007","90","","2314.68","0.16","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 I2 N2 -","- C26 H20 I2 N2 -","- C104 H80 I8 N8 -","4","1","","Mondal, Barnali; Captain, Burjor; Ramamurthy, V.","Photodimerization of HCl salts of azastilbenes in the solid state.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","6","891","894","10.1039/c1pp05070b","","","0.71073","MoKα","","0.057","0.0386","","","0.0975","0.1088","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515729","9.4503","0.0004","12.2691","0.0005","21.724","0.0009","78.4586","0.0006","86.8176","0.0006","84.1447","0.0006","2453.43","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H58 Cl4 N3 O11 -","- C42 H58 Cl4 N3 O11 -","- C84 H116 Cl8 N6 O22 -","2","1","","Mondal, Barnali; Captain, Burjor; Ramamurthy, V.","Photodimerization of HCl salts of azastilbenes in the solid state.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","6","891","894","10.1039/c1pp05070b","","","0.71073","MoKα","","0.0573","0.0451","","","0.1201","0.1304","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515730","9.4338","0.0012","9.8839","0.0013","10.8606","0.0014","84.048","0.001","85.702","0.001","77.071","0.001","980.3","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H22 O -","- C27 H22 O -","- C54 H44 O2 -","2","1","","Kuzmanich, Gregory; Natarajan, Arunkumar; Shi, Yanhui; Patrick, Brian O.; Scheffer, John R.; Garcia-Garibay, Miguel A","Stable radicals during photodecarbonylations of trityl-alkyl ketones enable solid state reactions through primary and secondary radical centers.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","11","1731","1734","10.1039/c1pp05240c","","","0.71073","MoKα","","0.049","0.0399","","","0.1003","0.1069","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515731","16.115","0.003","14.052","0.003","7.509","0.001","90","","92.18","0.01","90","","1699.2","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 O -","- C23 H22 O -","- C92 H88 O4 -","4","1","","Kuzmanich, Gregory; Natarajan, Arunkumar; Shi, Yanhui; Patrick, Brian O.; Scheffer, John R.; Garcia-Garibay, Miguel A","Stable radicals during photodecarbonylations of trityl-alkyl ketones enable solid state reactions through primary and secondary radical centers.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","11","1731","1734","10.1039/c1pp05240c","","","0.71073","MoKα","","0.1014","0.038","","","0.0554","0.063","","","","","","0.781","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515732","16.034","0.002","8.5909","0.0007","15.611","0.002","90","","119.895","0.006","90","","1864.2","0.4","173","2","173","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C24 H24 O -","- C24 H24 O -","- C96 H96 O4 -","4","1","","Kuzmanich, Gregory; Natarajan, Arunkumar; Shi, Yanhui; Patrick, Brian O.; Scheffer, John R.; Garcia-Garibay, Miguel A","Stable radicals during photodecarbonylations of trityl-alkyl ketones enable solid state reactions through primary and secondary radical centers.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","11","1731","1734","10.1039/c1pp05240c","","","0.71073","MoKα","","0.0365","0.0321","","","0.0752","0.0764","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515733","17.1668","0.0014","25.851","0.002","16.076","0.0013","90","","90","","90","","7134.2","1","173","2","173","2","","","","","","","","3","A b a 2","A 2 -2ab","41","","","","- C23 H22 O -","- C23 H22 O -","- C368 H352 O16 -","16","","","Kuzmanich, Gregory; Natarajan, Arunkumar; Shi, Yanhui; Patrick, Brian O.; Scheffer, John R.; Garcia-Garibay, Miguel A","Stable radicals during photodecarbonylations of trityl-alkyl ketones enable solid state reactions through primary and secondary radical centers.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","11","1731","1734","10.1039/c1pp05240c","","","0.71073","MoKα","","0.0747","0.0386","","","0.0536","0.059","","","","","","0.825","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515734","8.154","0.002","7.971","0.002","12.393","0.003","90","","104.93","0.003","90","","778.3","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H16 N2 O -","- C19 H16 N2 O -","- C38 H32 N4 O2 -","2","1","","Shiraki, Saori; Natarajan, Arunkumar; Garcia-Garibay, Miguel A","The synthesis and stereospecific solid-state photodecarbonylation of hexasubstituted meso- and d,l-ketones.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","9","1480","1487","10.1039/c1pp05080j","","","0.71073","MoKα","","0.0325","0.0305","","","0.0789","0.0803","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515735","7.3178","0.0014","14.158","0.003","17.191","0.003","90","","96.227","0.002","90","","1770.6","0.6","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H20 N2 O -","- C21 H20 N2 O -","- C84 H80 N8 O4 -","4","1","","Shiraki, Saori; Natarajan, Arunkumar; Garcia-Garibay, Miguel A","The synthesis and stereospecific solid-state photodecarbonylation of hexasubstituted meso- and d,l-ketones.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","9","1480","1487","10.1039/c1pp05080j","","","0.71073","MoKα","","0.0482","0.0394","","","0.0951","0.1013","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515736","8.7219","0.0013","14.862","0.002","12.6513","0.0018","90","","99.836","0.002","90","","1615.8","0.4","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H25 N O -","- C17 H25 N O -","- C68 H100 N4 O4 -","4","1","","Ayitou, Anoklase Jean-Luc; Vallavoju, Nandini; Ugrinov, Angel; Sivaguru, J.","Enantiospecific 6π-photocyclization of atropisomeric α-substituted acrylanilides in the solid-state: role of crystalline confinement on enantiospecificity.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","9","1380","1383","10.1039/c1pp05057e","","","0.71073","MoKα","","0.0497","0.0416","","","0.1134","0.1215","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515737","11.2894","0.0003","8.7386","0.0002","17.1678","0.0004","90","","105.623","0.001","90","","1631.09","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 N O -","- C19 H27 N O -","- C76 H108 N4 O4 -","4","1","","Ayitou, Anoklase Jean-Luc; Vallavoju, Nandini; Ugrinov, Angel; Sivaguru, J.","Enantiospecific 6π-photocyclization of atropisomeric α-substituted acrylanilides in the solid-state: role of crystalline confinement on enantiospecificity.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","9","1380","1383","10.1039/c1pp05057e","","","1.54178","CuKα","","0.0371","0.036","","","0.0911","0.092","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515738","8.7688","0.001","11.3647","0.0014","17.512","0.002","90","","90","","90","","1745.2","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 N O -","- C20 H29 N O -","- C80 H116 N4 O4 -","4","1","","Ayitou, Anoklase Jean-Luc; Vallavoju, Nandini; Ugrinov, Angel; Sivaguru, J.","Enantiospecific 6π-photocyclization of atropisomeric α-substituted acrylanilides in the solid-state: role of crystalline confinement on enantiospecificity.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","9","1380","1383","10.1039/c1pp05057e","","","1.54178","CuKα","","0.0266","0.0261","","","0.0701","0.0705","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515739","8.7698","0.0005","11.3683","0.0007","17.5191","0.001","90","","90","","90","","1746.61","0.18","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 N O -","- C20 H29 N O -","- C80 H116 N4 O4 -","4","1","","Ayitou, Anoklase Jean-Luc; Vallavoju, Nandini; Ugrinov, Angel; Sivaguru, J.","Enantiospecific 6π-photocyclization of atropisomeric α-substituted acrylanilides in the solid-state: role of crystalline confinement on enantiospecificity.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","9","1380","1383","10.1039/c1pp05057e","","","1.54178","CuKα","","0.0259","0.0253","","","0.0651","0.0656","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515740","12.8295","0.0014","14.5618","0.0016","14.334","0.0015","90","","95.724","0.005","90","","2664.5","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 N2 O4 S2 -","- C30 H28 N2 O4 S2 -","- C120 H112 N8 O16 S8 -","4","0.5","","Atkinson, Manza B. J.; Sokolov, Anatoliy N.; Bučar, Dejan-Krešimir; Mariappan, S. V. Santhana; Mwangi, Martin T.; Tiedman, Michael C.; MacGillivray, Leonard R.","Applications of hydrogen-bond-acceptor templates to direct 'in-phase' reactivity of a diene diacid in the solid state.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","9","1384","1386","10.1039/c1pp05077j","","","0.71073","MoKα","","0.047","0.0361","","","0.0946","0.099","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515741","14.5252","0.0016","6.963","0.0008","23.665","0.003","90","","102.029","0.005","90","","2340.9","0.5","190","2","190","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N2 O4 -","- C28 H24 N2 O4 -","- C112 H96 N8 O16 -","4","1","","Atkinson, Manza B. J.; Sokolov, Anatoliy N.; Bučar, Dejan-Krešimir; Mariappan, S. V. Santhana; Mwangi, Martin T.; Tiedman, Michael C.; MacGillivray, Leonard R.","Applications of hydrogen-bond-acceptor templates to direct 'in-phase' reactivity of a diene diacid in the solid state.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","9","1384","1386","10.1039/c1pp05077j","","","0.71073","MoKα","","0.0597","0.0394","","","0.0994","0.1078","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515742","31.686","0.004","9.6115","0.0011","29.601","0.003","90","","93.685","0.005","90","","8996.3","1.8","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H48 N4 O8 -","- C56 H48 N4 O8 -","- C448 H384 N32 O64 -","8","1","","Atkinson, Manza B. J.; Sokolov, Anatoliy N.; Bučar, Dejan-Krešimir; Mariappan, S. V. Santhana; Mwangi, Martin T.; Tiedman, Michael C.; MacGillivray, Leonard R.","Applications of hydrogen-bond-acceptor templates to direct 'in-phase' reactivity of a diene diacid in the solid state.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","9","1384","1386","10.1039/c1pp05077j","","","0.71073","MoKα","","0.0963","0.0579","","","0.1483","0.1634","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515743","11.8","0.03","6.73","0.01","16.57","0.05","90","","105.29","0.07","90","","1269","5","296.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","","Maeda, Hajime; Chiyonobu, Kazuhiko; Mizuno, Kazuhiko","Hydrogen-bonding directed, regioselective photocycloaddition reactions of cyanonaphthalenes with furanmethanols.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","9","1445","1449","10.1039/c1pp05060e","","","0.7107","MoKα","","","0.081","","","","0.077","","","","","","0.991","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515744","7.525","0.009","24.63","0.03","11.729","0.015","90","","98.548","0.018","90","","2150","5","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H33 N O2 -","- C25 H33 N O2 -","- C100 H132 N4 O8 -","4","1","","Sakamoto, Masami; Yagishita, Fumitoshi; Saito, Ayako; Kobaru, Shuichiro; Unosawa, Atsushi; Mino, Takashi; Fujita, Tsutomu","Asymmetric photocycloaddition of naphthamide with a diene using the provisional molecular chirality in a chiral crystal.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","9","1387","1389","10.1039/c1pp05053b","","","0.71073","MoKα","","0.1057","0.0515","","","0.117","0.1354","","","","","","0.905","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516344","4.75","0.019","18.89","0.005","10.333","0.01","90","","90","","90","","927","4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H52 N4 O20 -","- C32 H52 N4 O20 -","- C32 H52 N4 O20 -","1","0.25","","Sikorski, Pawel; Hori, Ritsuko; Wada, Masahisa","Revisit of alpha-chitin crystal structure using high resolution X-ray diffraction data.","Biomacromolecules","2009","10","5","1100","1105","10.1021/bm801251e","","","0.7293","","","0.2715","0.2621","","","0.547","0.5582","","","","","","2.405","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516345","4.715","0.019","18.77","0.005","10.333","0.01","90","","90","","90","","914","4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H52 N4 O20 -","- C32 H52 N4 O20 -","- C32 H52 N4 O20 -","1","0.25","","Sikorski, Pawel; Hori, Ritsuko; Wada, Masahisa","Revisit of alpha-chitin crystal structure using high resolution X-ray diffraction data.","Biomacromolecules","2009","10","5","1100","1105","10.1021/bm801251e","","","0.7293","","","0.2553","0.2505","","","0.5324","0.5374","","","","","","2.453","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516498","16.1351","0.0009","15.7795","0.0012","21.2316","0.0015","90","","90","","90","","5405.6","0.6","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H28 N2 O4 -","- C34 H28 N2 O4 -","- C272 H224 N16 O32 -","8","1","","Frischmann, Peter D.; Jiang, Jian; Hui, Joseph K.-H.; Grzybowski, Joseph J.; MacLachlan, Mark J.","Reversible-irreversible approach to Schiff base macrocycles: access to isomeric macrocycles with multiple salphen pockets.","Organic letters","2008","10","6","1255","1258","10.1021/ol8001317","","","0.71073","MoKα","","0.0934","0.0437","","","0.1013","0.1255","","","","","","0.931","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1522060","8.753","","8.753","","8.753","","90","","90","","90","","670.611","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Hf (V2 O7)","","- Hf O7 V2 -","- Hf O7 V2 -","- Hf4 O28 V8 -","4","0.166667","","Turquat, C.; Muller, C.; Nigrelli, E.; Leroux, C.; Soubeyroux, J.L.; Nihoul, G.","Structural investigation of temperature-induced phase transitions in Hf V2 O7","The European Physical Journal Apllied Physics","2000","10","","15","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522270","7.083","","7.083","","7.083","","90","","90","","90","","355.346","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Lu Ni2 -","- Lu Ni2 -","- Lu8 Ni16 -","8","0.0416667","","Kripyakevich, P.I.; Teslyuk, M.Yu.; Frankevich, D.P.","New compounds of the Mg Cu2 type in alloys of rare-earth metals with Fe, Co, and Ni","Kristallografiya","1965","10","","422","423","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522272","4.44","","4.44","","10.75","","90","","90","","90","","211.921","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Ga4 Sr -","- Ga4 Sr -","- Ga8 Sr2 -","2","0.0625","","Kripyakevich, P.I.; Gladyshevskii, E.I.; Dzyana, D.I.","Binary intermetallic compounds of the Ba Al4 type containing gallium","Kristallografiya","1965","10","","471","473","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522274","4.36","","4.36","","10.56","","90","","90","","90","","200.741","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Ga4 Yb -","- Ga4 Yb -","- Ga8 Yb2 -","2","0.0625","","Kripyakevich, P.I.; Gladyshevskii, E.I.; Dzyana, D.I.","Binary intermetallic compounds of the Ba Al4 type containing gallium","Kristallografiya","1965","10","","471","473","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522294","11.69","","11.69","","11.69","","90","","90","","90","","1597.51","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Fe23 Zr6 -","- Fe23 Zr6 -","- Fe92 Zr24 -","4","0.0208333","","Kripyakevich, P.I.; Protasov, V.S.; Cherkashin, E.E.","Crystal structure of the compound Zr Fe3","Zhurnal Neorganicheskoi Khimii","1965","10","","151","152","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522533","3.723","","3.723","","3.723","","90","","90","","90","","51.603","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Fe0.75 Pt0.25)","","- Fe0.75 Pt0.25 -","- Fe0.75 Pt0.25 -","- Fe3 Pt -","4","0.0208333","","Miodownik, A.P.","The Invar behavior of iron-nickel-platinum alloys","Journal of Magnetism and Magnetic Materials","1979","10","","126","135","","","","","","","","","","","","","","","","","","","","","","has coordinates","142773","2020-10-21","18:00:00",""
"1522534","2.969","","2.969","","2.969","","90","","90","","90","","26.172","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Fe0.75 Pt0.25)","","- Fe0.75 Pt0.25 -","- Fe0.75 Pt0.25 -","- Fe1.5 Pt0.5 -","2","0.0208333","","Miodownik, A.P.","The Invar behavior of iron-nickel-platinum alloys","Journal of Magnetism and Magnetic Materials","1979","10","","126","135","","","","","","","","","","","","","","","","","","","","","","has coordinates","142774","2020-10-21","18:00:00",""
"1522535","3.66","","3.66","","3.66","","90","","90","","90","","49.028","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Fe0.75 Ni0.125 Pt0.125)","","- Fe0.75 Ni0.125 Pt0.125 -","- Fe0.75 Ni0.125 Pt0.125 -","- Fe3 Ni0.5 Pt0.5 -","4","0.0208333","","Miodownik, A.P.","The Invar behavior of iron-nickel-platinum alloys","Journal of Magnetism and Magnetic Materials","1979","10","","126","135","","","","","","","","","","","","","","","","","","","","","","has coordinates","142775","2020-10-21","18:00:00",""
"1522648","4.666","","4.666","","4.666","","90","","90","","90","","101.586","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ho Tl3 -","- Ho Tl3 -","- Ho Tl3 -","1","0.0208333","","Palenzona, A.","M X3 intermetallic phase of the rare-earths with Hg, In, Tl, Pb, Ag, Au, Pt, Al, In, Tl, and Ge","Journal of the Less-Common Metals","1966","10","","290","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522806","3.092","","3.092","","3.092","","90","","90","","90","","29.561","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Mo V)","","- Mo V -","- Mo V -","- Mo V -","1","0.0104167","","Rudy, E.; Benesovsky, F.","Untersuchungen im System V-Mo-C. Stabilisierung des kubischen Molybdaenkarbids","Planseeberichte fuer Pulvermetallurgie","1962","10","","42","64","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522982","6.05","","6.05","","6.05","","90","","90","","90","","221.445","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Mn Ni2 Sn -","- Mn Ni2 Sn -","- Mn4 Ni8 Sn4 -","4","0.0416667","","Szytula, A.; Kolodziejczyk, A.; Wanic, A.; Todorovic, J.; Rzany, H.","Atomic and magnetic structure of the Heusler alloys Ni2 Mn Sb, Ni2 Mn Sn, and Co2 Mn Sn","Physica Status Solidi, Sectio A: Applied Research","1972","10","","57","65","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523005","5.121","","5.121","","4.052","","90","","90","","120","","92.026","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Fe5 Th -","- Fe5 Th -","- Fe5 Th -","1","0.0416667","","Thomson, J.R.","Alloys of thorium with certain transition metals. IV. The systems Th-Fe and Th-Co","Journal of the Less-Common Metals","1966","10","","432","438","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523163","6.45","","6.45","","6.45","","90","","90","","90","","268.336","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Ga0.05 Pb0.95) Te","","- Ga0.05 Pb0.95 Te -","- Ga0.05 Pb0.95 Te -","- Ga0.2 Pb3.8 Te4 -","4","0.0208333","","Abilov, Ch.I.; Rustamov, P.G.; Alidzhanov, M.A.","The system Pb Te - Ga Te","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1974","10","","142","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523195","10.2743","","10.2743","","3.9875","","90","","90","","120","","364.532","","","","","","","","","","","","","3","P -6","P -6","174","","Pb7 Cl2 F12","","- Cl2 F12 Pb7 -","- Cl2 F12 Pb7 -","- Cl2 F12 Pb7 -","1","0.166667","","Aurivillius, B.","X-ray studies on (Pb F2)6 Pb X2 (X= Cl, Br) and Pb F I","Chemica Scripta","1976","10","","206","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","143808","2020-10-21","18:00:00",""
"1523196","8.1546","","8.1546","","5.7218","","90","","90","","90","","380.485","","","","","","","","","","","","","3","P 42/n m c :2","-P 4ac 2a","137","","Pb2 F2 O","","- F2 O Pb2 -","- F2 O Pb2 -","- F8 O4 Pb8 -","4","0.25","","Aurivillius, B.","X-ray studies of lead oxide fluoride and related compounds","Chemica Scripta","1976","10","","156","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523307","2.83","","2.83","","3.66","","90","","90","","90","","29.313","","","","","","","","","","","","","2","P 4/m m m","-P 4 2","123","","","","- Mn Pt -","- Mn Pt -","- Mn Pt -","1","0.0625","","Brun, K.; Pearson, W.B.; Kjekshus, A.","Equiatomic transition metal alloys of manganese. I. The tetragonal Pt Mn phase","Philosophical Magazine, Serie 8(1956-)","1964","10","","291","299","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523385","3.377","","3.377","","3.377","","90","","90","","90","","38.512","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ho Rh -","- Ho Rh -","- Ho Rh -","1","0.0208333","","Chamard-Bois, R.; Van Nungh Nguyen; Yakinthos, J.; Wittenberger, M.","Structures magnetiques des composes equiatomique terres rares - rhodium T Rh (R= Dy, Ho, Er)","Solid State Communications","1972","10","","685","689","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523493","5.162","","5.162","","5.162","","90","","90","","90","","137.548","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","Nb6 (Pd Pt)","","- Nb6 Pd Pt -","- Nb6 Pd Pt -","- Nb6 Pd Pt -","1","0.0208333","","Dwight, A.E.","Alloying behavior of columbium","Metallurgical Society Conferences, Proceedings","1961","10","","383","405","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523494","5.152","","5.152","","5.152","","90","","90","","90","","136.75","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","Nb6 (Pd Rh)","","- Nb6 Pd Rh -","- Nb6 Pd Rh -","- Nb6 Pd Rh -","1","0.0208333","","Dwight, A.E.","Alloying behavior of columbium","Metallurgical Society Conferences, Proceedings","1961","10","","383","405","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523495","5.13","","5.13","","5.13","","90","","90","","90","","135.006","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","Nb6 (Rh Ru)","","- Nb6 Rh Ru -","- Nb6 Rh Ru -","- Nb6 Rh Ru -","1","0.0208333","","Dwight, A.E.","Alloying behavior of columbium","Metallurgical Society Conferences, Proceedings","1961","10","","383","405","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523496","3.4","","3.4","","3.4","","90","","90","","90","","39.304","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Hf Nb)","","- Hf Nb -","- Hf Nb -","- Hf Nb -","1","0.0104167","","Dwight, A.E.","Alloying behavior of columbium","Metallurgical Society Conferences, Proceedings","1961","10","","383","405","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523589","6.46","","6.46","","6.46","","90","","90","","90","","269.586","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Pb0.92 Sm0.08) Te","","- Pb0.92 Sm0.08 Te -","- Pb0.92 Sm0.08 Te -","- Pb3.68 Sm0.32 Te4 -","4","0.0208333","","Erofeev, R.S.; Solomatnikova, O.V.","Effect of SmTe on the physicochemical and electrical properties of PbTe","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1974","10","","366","368","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523677","5.456","","5.456","","4.35","","90","","90","","120","","112.142","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Mo Rh3 -","- Mo Rh3 -","- Mo2 Rh6 -","2","0.0833333","","Giessen, B.C.; Jaehnigen, U.; Grant, N.J.","Ordered A B and A B3 phases in T6 - T9 alloy systems and a modified Mo-Ir phase diagram","Journal of the Less-Common Metals","1966","10","","147","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523678","5.453","","5.453","","4.35","","90","","90","","120","","112.019","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Rh3 W -","- Rh3 W -","- Rh6 W2 -","2","0.0833333","","Giessen, B.C.; Jaehnigen, U.; Grant, N.J.","Ordered A B and A B3 phasess T6-T9 alloy systems and a modified Mo-Ir phase diagram","Journal of the Less-Common Metals","1966","10","","147","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523679","4.429","","2.752","","4.804","","90","","90","","90","","58.554","","","","","","","","","","","","","2","P m m a","-P 2a 2a","51","","","","- Ir Mo -","- Ir Mo -","- Ir2 Mo2 -","2","0.25","","Giessen, B.C.; Grant, N.J.; Jaehnigen, U.","Ordered A B and A B3 phases in T6-T9 alloy systems and a modified Mo-Ir phase-diagram","Journal of the Less-Common Metals","1966","10","","147","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523680","5.487","","5.487","","4.385","","90","","90","","120","","114.333","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ir3 Mo -","- Ir3 Mo -","- Ir6 Mo2 -","2","0.0833333","","Giessen, B.C.; Jaehnigen, U.; Grant, N.J.","Ordered A B and A B3 phases in T6-T9 alloy systems and a modified Mo-Ir phase-diagram","Journal of the Less-Common Metals","1966","10","","147","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523681","4.452","","2.76","","4.811","","90","","90","","90","","59.115","","","","","","","","","","","","","2","P m m a","-P 2a 2a","51","","","","- Ir W -","- Ir W -","- Ir2 W2 -","2","0.25","","Giessen, B.C.; Jaehnigen, U.; Grant, N.J.","Ordered AB and AB3 phases in T6-T9 alloy systems and a modified Mo-Ir phase diagram","Journal of the Less-Common Metals","1966","10","","147","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523682","4.596","","4.596","","4.39","","90","","90","","120","","80.307","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ir3 W -","- Ir3 W -","- Ir6 W2 -","2","0.0833333","","Giessen, B.C.; Jaehnigen, U.; Grant, N.J.","Ordered A B and A B3 phases in T6-T9 alloy systems and a modified Mo-Ir phase diagram","Journal of the Less-Common Metals","1966","10","","147","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523850","3.837","","3.837","","3.837","","90","","90","","90","","56.49","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Hg La -","- Hg La -","- Hg La -","1","0.0208333","","Iandelli, A.; Ferro, R.","La struttura cristallina dei composti La Hg, Ce Hg, Pr Hg, Nd Hg","Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 8 (1, 1946-)","1951","10","","48","52","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523853","3.779","","3.779","","3.779","","90","","90","","90","","53.967","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Hg Nd -","- Hg Nd -","- Hg Nd -","1","0.0208333","","Iandelli, A.; Ferro, R.","La struttura cristallina dei composti La Hg, Ce Hg, Pr Hg, Nd Hg","Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 8 (1, 1946-)","1951","10","","48","52","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523854","3.799","","3.799","","3.799","","90","","90","","90","","54.829","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Hg Pr -","- Hg Pr -","- Hg Pr -","1","0.0208333","","Iandelli, A.; Ferro, R.","La struttura cristallina dei composti La Hg, Ce Hg, Pr Hg, Nd Hg","Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 8 (1, 1946-)","1951","10","","48","52","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523885","3.447","","3.447","","3.447","","90","","90","","90","","40.957","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Pd Yb -","- Pd Yb -","- Pd Yb -","1","0.0208333","","Iandelli, A.; Palenzona, A.","The ytterbium-palladium system","Revue de Chimie Minerale","1973","10","","303","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524190","3.361","","3.361","","3.361","","90","","90","","90","","37.967","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Er Rh -","- Er Rh -","- Er Rh -","1","0.0208333","","Chamard-Bois, R.; Nguyen van Nhung; Yakinthos, J.; Wintenberger, M.","Structures magnetiques des composes equiatomiques terres rares-rhodium T Rh (T= Dy, Ho, Er)","Solid State Communications","1972","10","","685","689","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524191","3.394","","3.394","","3.394","","90","","90","","90","","39.096","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Dy Rh -","- Dy Rh -","- Dy Rh -","1","0.0208333","","Chamard-Bois, R.; Nguyen van Nhung; Wintenberger, M.; Yakinthos, Y.","+1 terres rares-rhodium, T Rh (T= Dy, Ho, Er)","Solid State Communications","1972","10","","685","689","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524546","17.887","","9.394","","9.675","","90","","96.59","","90","","1614.95","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Cd5 H2 (P O4)4 (H2 O)4","","- Cd5 H10 O20 P4 -","- Cd5 O20 P4 -","- Cd20 O80 P16 -","4","0.5","","Hideki, A.; Masaru, A.; Iwai, S.I.","Synthesis and crystal structure of cadmium hydrogen phosphate hydrate","Iyo Kizai Kenkyusho Hokoku, Tokyo Ika Shika Daigaku","1976","10","","63","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524757","4.42","","4.42","","10.72","","90","","90","","90","","209.43","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Eu Ga4 -","- Eu Ga4 -","- Eu2 Ga8 -","2","0.0625","","Kripyakevich, P.I.; Gladyshevskii, E.I.; Dzyana, D.I.","Binary intermetallic compounds of the Ba Al4 type containing gallium","Kristallografiya","1965","10","","471","473","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524894","2.7418","","2.7418","","4.2939","","90","","90","","120","","27.955","","303.15","","303.15","","","","","","Sample alloy was heat-treated at 424 degrees Celsius for 26 days.","","","2","P 63/m m c","-P 6c 2c","194","","(Cu0.2 Zn0.8)","","- Cu0.2 Zn0.8 -","- Cu0.2 Zn0.8 -","- Cu0.4 Zn1.6 -","2","0.0833333","","Massalski, T. B.; King, H. W.","The lattice spacing relationships in H.C.P. epsilon and eta phases in the systems Cu - Zn, Ag - Zn, Au - Zn and Ag - Cd","Acta Metallurgica","1962","10","","1171","1181","10.1016/0001-6160(62)90170-0","","","","","","","","","","","","","","","","","","","","","has coordinates","191775","2020-10-21","18:00:00",""
"1525041","5.506","","5.506","","5.506","","90","","90","","90","","166.92","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","(Cu0.25 Ga0.583) Se","","- Cu0.25 Ga0.583 Se -","- Cu0.25 Ga0.583 Se -","- Cu Ga2.332 Se4 -","4","0.0416667","","Palatnik, L.S.; Atroshchenko, L.V.; Belova, E.K.; Komnik, Yu.F.","Study of the semiconducting alloys Cu Ga Se2 - Ga2 Se3","Kristallografiya","1965","10","","474","479","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525045","4.661","","4.661","","4.661","","90","","90","","90","","101.26","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Er Tl3 -","- Er Tl3 -","- Er Tl3 -","1","0.0208333","","Palenzona, A.","M X3 intermetallic phase of the rare earths with Hg, In, Tl, Pb","Journal of the Less-Common Metals","1966","10","","290","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525257","4.96","","4.96","","3.995","","90","","90","","120","","85.116","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Co5 (Sm0.5 Y0.5)","","- Co5 Sm0.5 Y0.5 -","- Co5 Sm0.5 Y0.5 -","- Co5 Sm0.5 Y0.5 -","1","0.0416667","","Shibata, T.; Katayama, T.; Mitzuhara, T.","Magnetic properties of Y1-x Smx Co5 compounds","Japanese Journal of Applied Physics","1971","10","","163","164","","","","","","","","","","","","","","","","","","","","","","has coordinates","146181","2020-10-21","18:00:00",""
"1525267","4.92","","4.92","","16.28","","90","","90","","120","","341.283","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Co7 Nb6 -","- Co7 Nb6 -","- Co21 Nb18 -","3","0.0833333","","Shurin, A.K.; Kripyakevich, P.I.; Gladyshevskii, E.I.","The crystal structure of Nb Co","Kristallografiya","1965","10","","414","416","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525276","7.193","","7.193","","7.193","","90","","90","","90","","372.16","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(Co1.6 Ni0.4) Tb","","- Co1.6 Ni0.4 Tb -","- Co1.6 Ni0.4 Tb -","- Co12.8 Ni3.2 Tb8 -","8","0.0416667","","Sidzhimov, B.; Stanev, N.; Bozukov, L.; Neov, S.","Investigations on the magnetic structure of pseudobinary intermetallic compounds from the Tb (Cox Ni1-x)2 system","Bulgarian Journal of Physics","1983","10","","328","336","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525277","7.322","","7.322","","7.322","","90","","90","","90","","392.545","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Fe2 (Ho0.5 Tb0.5)","","- Fe2 Ho0.5 Tb0.5 -","- Fe2 Ho0.5 Tb0.5 -","- Fe16 Ho4 Tb4 -","8","0.0416667","","Sidzhimov, B.S.; Nikitin, S.A.; Neov, S.D.","Magnetic structure of the system pseudobinary intermetallic compounds Tbx Ho1-x Fe2 studied by neutron diffraction experiments","Bulgarian Journal of Physics","1983","10","","203","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1526293","3.86248","","3.86248","","19.9242","","90","","90","","90","","297.244","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","(La1.4 Sr Ca0.6) Mn2 O7","","- Ca0.6 La1.4 Mn2 O7 Sr -","- Ca0.601 La1.4 Mn2 O7 Sr0.999 -","- Ca1.202 La2.8 Mn4 O14 Sr1.998 -","2","0.0625","","He, L.-H.; Zhang, P.-L.; Yan, Q.-W.","The structure and magnetic properties of La2-2x Sr Ca2x Mn2 O7 (x =0.25-1.00)","Chinese Physics","2001","10","","857","861","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526295","3.8629","","3.8629","","19.6789","","90","","90","","90","","293.648","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","(La1.2 Sr Ca0.8) Mn2 O7","","- Ca0.8 La1.2 Mn2 O7 Sr -","- Ca0.8 La1.2 Mn2 O7 Sr -","- Ca1.6 La2.4 Mn4 O14 Sr2 -","2","0.0625","","He, L.-H.; Zhang, P.-L.; Yan, Q.-W.","The structure and magnetic properties of La2-2x Sr Ca2x Mn2 O7 (x =0.25-1.00)","Chinese Physics","2001","10","","857","861","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526297","3.84333","","3.84333","","19.6083","","90","","90","","90","","289.638","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","(La0.8 Sr Ca1.2) Mn2 O7","","- Ca1.2 La0.8 Mn2 O7 Sr -","- Ca1.201 La0.8 Mn2 O7 Sr0.999 -","- Ca2.402 La1.6 Mn4 O14 Sr1.998 -","2","0.0625","","He, L.-H.; Zhang, P.-L.; Yan, Q.-W.","The structure and magnetic properties of La2-2x Sr Ca2x Mn2 O7 (x =0.25-1.00)","Chinese Physics","2001","10","","857","861","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527038","3.07","","3.07","","3.523","","90","","90","","120","","28.755","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Mg (B0.9 C0.1)2","","- C0.2 B1.8 Mg -","- C0.2 B1.8 Mg -","- C0.2 B1.8 Mg -","1","0.0416667","","Zhang, S.-Y.; Zhang, J.; Shen, B.-G.; Rong, C.-B.; Zhao, T.-Y.; Cheng, Z.-H.","Structure and superconductivity of Mg (B1-x Cx)2 compounds","Chinese Physics","2001","10","","335","337","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527142","6.295","","5.636","","9.929","","90","","90","","90","","352.267","","","","","","","","","","","","","3","F m m m","-F 2 2","69","","U O2 (O H)2","","- H2 O4 U -","- O4 U -","- O16 U4 -","4","0.125","","Bergstroem, G.; Lundgren, G.","X-ray investigation on uranyl hydroxides","Acta Chemica Scandinavica (1-27,1973-42,1988)","1956","10","","673","680","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528107","5.36","","5.36","","13.59","","90","","90","","90","","390.435","","","","","","","","","","","","","4","C m m a","-C 2a 2","67","","Ca Bi O F (C O3)","","- Bi Ca F O -","- Bi Ca F O -","- Bi4 Ca4 F4 O4 -","4","0.25","","Synecek, V.; Zak, L.","The crystal structure of Kettnerite, Ca Bi O F C O3","Czechoslovak Journal of Physics","1960","10","","195","207","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528173","9.86","","18.06999","","5.333","","90","","105.48","","90","","915.712","","","","","","","","","","","","","10","C 1 2/m 1","-C 2y","12","","(Na0.36 K0.15) (Ca0.75 Na0.25)2 (Mg2.64 Fe1.3 Al0.91 Ti0.15) ((Si0.81 Al0.19)8 O22.1) (O H)1.9","","- Al2.43 Ca1.5 Fe1.3 H1.9 K0.15 Mg2.64 Na0.86 O24 Si6.48 Ti0.15 -","- Al2.43 Ca1.5 Fe1.3 K0.15 Mg2.64 Na0.86 O24 Si6.48 Ti0.15 -","- Al4.86 Ca3 Fe2.6 K0.3 Mg5.28 Na1.72 O48 Si12.96 Ti0.3 -","2","0.25","","Walitzi, E.M.; Trojer, F.jr.","Strukturuntersuchung an einer Hornblende aus dem eklogitischen Gestein von Stramez, suedliche Koralpe","Tschermaks Mineralogische und Petrographische Mitteilungen (-1978)","1965","10","","233","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528174","8.82","","8.82","","13.04","","90","","90","","90","","1014.41","","","","","","","","","","","","","3","P 42/n b c :2","-P 4ac 2b","133","","Mn Te2 O5","","- Mn O5 Te2 -","- Mn O5 Te2 -","- Mn8 O40 Te16 -","8","0.5","","Walitzi, E.M.","Die Kristallstruktur von Denningit, (Mn, Ca, Zn) Te2 O5. Ein Beispiel fuer die Koordination um vierwertiges Tellur","Tschermaks Mineralogische und Petrographische Mitteilungen (-1978)","1965","10","","241","255","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528589","6.425","","6.912","","9.809","","81.554","","80.29","","88.485","","424.716","","","","","","","","","","","","","4","P -1","-P 1","2","","Ho (H P2 O7) (H2 O)3","","- H7 Ho O10 P2 -","- H5 Ho O10 P2 -","- H10 Ho2 O20 P4 -","2","1","","Hraiech, S.; Chehimi-Moumen, F.; Goutaudier, C.; Trabelsi-Ayadi, M.; Ben Hassan-Chehimi, D.","Synthesis, crystal structure and thermal behaviour of trihydrated acid holmium diphosphate H Ho P2 O7 * 3 H2 O","Solid State Sciences","2008","10","","991","997","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528600","16.561","","3.149","","6.22","","90","","99.15","","90","","320.249","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Mg2 (C O3 (O H)2) (H2 O)3","","- C H8 Mg2 O8 -","- C Mg2 O8 -","- C2 Mg4 O16 -","2","0.25","","Jagodzinski, H.","Kristallstruktur und Fehlordnung des Artinits Mg2 (C O3 (O H)2) (H2 O)3","Tschermaks Mineralogische und Petrographische Mitteilungen (-1978)","1965","10","","297","330","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528661","15.7782","","5.5739","","5.47","","90","","90","","90","","481.065","","","","","","","","","","","","","3","I m a 2","I 2 -2a","46","","Sr Co O2.5","","- Co O2.5 Sr -","- Co O2.5 Sr -","- Co8 O20 Sr8 -","8","1","","de la Calle, C.; Aguadero, A.; Alonso, J.A.; Fernandez-Diaz, M.T.","Correlation between reconstructive phase transitions and transport properties from Sr Co O2.5 brownmillerite: A neutron diffraction study","Solid State Sciences","2008","10","","1924","1935","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528662","9.5381","","9.5381","","12.6146","","90","","90","","120","","993.866","","","","","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","Sr Co0.83 O2.5","","- Co0.83 O2.5 Sr -","- Co0.833333 O2.5 Sr -","- Co15 O45 Sr18 -","18","1","","de la Calle, C.; Aguadero, A.; Alonso, J.A.; Fernandez-Diaz, M.T.","Correlation between reconstructive phase transitions and transport properties from Sr Co O2.5 brownmillerite: A neutron diffraction study","Solid State Sciences","2008","10","","1924","1935","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528663","3.95286","","3.95286","","3.95286","","90","","90","","90","","61.764","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Sr Co O2.48","","- Co O2.48 Sr -","- Co O2.481 Sr -","- Co O2.481 Sr -","1","0.0208333","","de la Calle, C.; Aguadero, A.; Alonso, J.A.; Fernandez-Diaz, M.T.","Correlation between reconstructive phase transitions and transport properties from Sr Co O2.5 brownmillerite: A neutron diffraction study","Solid State Sciences","2008","10","","1924","1935","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528668","13.543","","7.8453","","12.007","","90","","90.49","","90","","1275.68","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- Cr5 Te8 -","- Cr3.5 Te4 -","- Cr14 Te16 -","4","0.5","","Huang Zhongle; Kockelmann, W.; Telling, M.; Bensch, W.","A neutron diffraction study of structural and magnetic properties of monoclinic Cr5 Te8","Solid State Sciences","2008","10","","1099","1105","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528897","12.03","","10.09","","6.26","","90","","107.5","","90","","724.687","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","K (Zn Cl3) (H2 O)2","","- Cl3 H4 K O2 Zn -","- Cl3 H4 K O2 Zn -","- Cl12 H16 K4 O8 Zn4 -","4","1","","Suesse, P.; Brehler, B.","Die Kristallstruktur des K Zn Cl3 (H2 O)2","Beitraege zur Mineralogie und Petrographie (-11,1965)","1964","10","","132","140","","","","","","","","","","","","","","","","","","","","","","has coordinates","186638","2020-10-21","18:00:00",""
"1529982","9.3","","5.29","","6.42","","90","","90","","90","","315.845","","","","","","","","","","","","","2","P c m n","-P 2n 2ac","62","","K I (H2 O)2","","- I K -","- I K -","- I4 K4 -","4","0.5","","Gerken, V.A.; Pakhomov, V.I.","Roentgenographical study of crystals in system K I-Hg I2-H2 O","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1969","10","","753","754","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529983","9.35","","11.52","","8.69","","90","","90","","90","","936.017","","","","","","","","","","","","","3","P c 21 n","P -2n -2ac","33","","K Hg I3 H2 O","","- Hg I3 K -","- Hg I3 K -","- Hg4 I12 K4 -","4","1","","Gerken, V.A.; Pakhomov, V.I.","Roentgenographical study of crystals in system K I-Hg I2-H2 O","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1969","10","","753","754","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529984","11.67","","11.67","","7.48","","90","","90","","120","","882.214","","","","","","","","","","","","","3","P 3 1 c","P 3 -2c","159","","K2 Hg I4 (H2 O)3","","- Hg I4 K2 -","- Hg I4 K2 -","- Hg2 I8 K4 -","2","0.333333","","Gerken, V.A.; Pakhomov, V.I.","Roentgenographical study of cristals in system K I-Hg I2-H2 O","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1969","10","","753","754","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530013","4.59","","10.49","","14.925","","90","","91.16","","90","","718.478","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","K2 Te F5 Cl","","- Cl F5 K2 Te -","- Cl F5 K2 Te -","- Cl4 F20 K8 Te4 -","4","1","","Gorbunova, Yu.E.; Linde, S.A.; Pakhomov, V.I.; Buslaev, Yu.A.; Gustyakova, M.P.; Kokunov, Yu.V.","Synthesis and structure of Te(IV) fluoride nitrates and chloride fluorides","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1984","10","","340","349","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530014","8.216","","8.454","","10.794","","109.09","","89.89","","111.18","","654.867","","","","","","","","","","","","","5","P 1","P 1","1","","Rb Te F4 (N O3)","","- F4 N O3 Rb Te -","- F4 N O3 Rb Te -","- F16 N4 O12 Rb4 Te4 -","4","4","","Gorbunova, Yu.E.; Linde, S.A.; Kokunov, Yu.V.; Pakhomov, V.I.; Buslaev, Yu.A.; Gustyakova, M.P.","Synthesis and structure of Te(IV) fluoride nitrates and chloride fluorides","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1984","10","","340","349","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530682","6.306","","18.358","","6.321","","90","","90","","90","","731.754","","","","","","","","","","","","","6","C m c m","-C 2c 2","63","","K2 (Ru (N O) F5) (H2 O)","","- F5 H2 K2 N O2 Ru -","- F5 H2 K2 N O2 Ru -","- F20 H8 K8 N4 O8 Ru4 -","4","0.25","","Salomov, A.S.; Porai-Koshits, M.A.; Sharipov, Kh.T.; Parpiev, N.A.; Mikhailov, Yu.N.; Sinitsyn, N.M.; Kanishcheva, A.S.; Svetlov, A.A.","Crystal structure of monohydrates of pentafluoronitrosyl complexes of osmium and ruthenium","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1984","10","","1285","1288","","","","","","","","","","","","","","","","","","","","","","has coordinates","211138","2020-10-21","18:00:00",""
"1530683","5.955","","18.204","","6.045","","90","","90","","90","","655.307","","","","","","","","","","","","","7","C m c m","-C 2c 2","63","","Na K (Os (N O) F5) (H2 O)","","- F5 H2 K N Na O2 Os -","- F5 H2 K N Na O2 Os -","- F20 H8 K4 N4 Na4 O8 Os4 -","4","0.25","","Salomov, A.S.; Sharipov, Kh.T.; Parpiev, N.A.; Sinitsyn, N.M.; Porai-Koshits, M.A.; Svetlov, A.A.; Kanishcheva, A.S.; Mikhailov, Yu.N.","Crystal structure of monohydrates of pentafluoronitrosyl complexes of osmium and ruthenium","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1984","10","","1285","1288","","","","","","","","","","","","","","","","","","","","","","has coordinates","211138","2020-10-21","18:00:00",""
"1530684","6.75","","19.534","","6.787","","90","","90","","90","","894.896","","","","","","","","","","","","","6","C m c m","-C 2c 2","63","","Cs2 (Os (N O) F5) (H2 O)","","- Cs2 F5 H2 N O2 Os -","- Cs2 F5 H2 N O2 Os -","- Cs8 F20 H8 N4 O8 Os4 -","4","0.25","","Salomov, A.S.; Sharipov, Kh.T.; Svetlov, A.A.; Parpiev, N.A.; Mikhailov, Yu.N.; Kanishcheva, A.S.; Porai-Koshits, M.A.; Sinitsyn, N.M.","Crystal structure of monohydrates of pentafluoronitrosyl complexes of osmium and ruthenium","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1984","10","","1285","1288","","","","","","","","","","","","","","","","","","","","","","has coordinates","211138","2020-10-21","18:00:00",""
"1530702","10.265","","8.37","","10.443","","90","","119.49","","90","","780.997","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Rb Gd (S O4)2 (H2 O)","","- Gd H2 O9 Rb S2 -","- Gd H2 O9 Rb S2 -","- Gd4 H8 O36 Rb4 S8 -","4","1","","Sarukhanyan, N.L.; Iskhakova, L.D.; Ilyukhin, V.V.; Trunov, V.K.","Crystal structure of Rb Ln (S O4)2 (H2 O) (Ln= Gd, Ho, Yb)","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1984","10","","981","987","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530703","10.21","","8.298","","10.404","","90","","119.63","","90","","766.191","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Rb Ho (S O4)2 (H2 O)","","- H2 Ho O9 Rb S2 -","- H Ho O9 Rb S2 -","- H4 Ho4 O36 Rb4 S8 -","4","1","","Sarukhanyan, N.L.; Iskhakova, L.D.; Trunov, V.K.; Ilyukhin, V.V.","Crystal structure of Rb Ln (S O4)2 (H2 O) (Ln=Gd, Ho, Yb)","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1984","10","","981","987","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530704","10.124","","8.255","","10.333","","90","","119.82","","90","","749.223","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Rb Yb (S O4)2 (H2 O)","","- H2 O9 Rb S2 Yb -","- O9 Rb S2 Yb -","- O36 Rb4 S8 Yb4 -","4","1","","Sarukhanyan, N.L.; Ilyukhin, V.V.; Iskhakova, L.D.; Trunov, V.K.","Crystal structure of Rb Ln (S O4)2 (H2 O) (Ln=Gd, Ho, Yb)","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1984","10","","981","987","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530848","9.714","","7.193","","23.725","","90","","95.95","","90","","1648.8","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Co Br2 (O C (N H2)2)10","","- C10 H40 Br2 Co N20 O10 -","- C10 Br2 Co N20 O10 -","- C20 Br4 Co2 N40 O20 -","2","0.5","","Suleimanov, Kh.T.; Antsyshkina, A.S.; Porai-Koshits, M.A.; Dudarev, V.Ya.; Fykin, L.V.","Clathrate-coordination Structure of Carbamide Compounds with Metal Salts having a high percentage content of Carbamide. X-ray diffraction and Neutron-diffraction investigation of the Crystal Structure of Cobalt(II) Bromide Decacarbamide","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1984","10","","1272","1278","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530858","11.313","","20.163","","23.877","","90","","90","","90","","5446.44","","","","","","","","","","","","","5","C 2 2 21","C 2c 2","20","","Mg (U O2)6 (Mo O4)7 (H2 O)14","","- H28 Mg Mo7 O54 U6 -","- Mg Mo7 O54 U6 -","- Mg4 Mo28 O216 U24 -","4","0.5","","Tabachenko, V.V.; Kovba, L.M.; Serezhkin, V.N.","Crystal structures of Mg (U O2)6 (Mo O4)7 (H2 O)18 and Sr (U O2)6 (Mo O4)7 (H2 O)15","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1984","10","","558","562","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530859","11.166","","20.281","","24.061","","90","","90","","90","","5448.8","","","","","","","","","","","","","5","C 2 2 21","C 2c 2","20","","Sr (U O2)6 (Mo O4)7 (H2 O)19","","- H38 Mo7 O59 Sr U6 -","- Mo7 O59 Sr U6 -","- Mo28 O236 Sr4 U24 -","4","0.5","","Tabachenko, V.V.; Kovba, L.M.; Serezhkin, V.N.","Crystal structures of Mg (U O2)6 (Mo O4)7 (H2 O)18 and Sr (U O2)6 (Mo O4)7 (H2 O)15","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1984","10","","558","562","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530860","17.797","","11.975","","23.33","","90","","90","","90","","4972.07","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ba (U O2)3 (Mo O4)4 (H2 O)4","","- Ba H8 Mo4 O26 U3 -","- Ba Mo4 O26 U3 -","- Ba8 Mo32 O208 U24 -","8","1","","Tabachenko, V.V.; Balashov, V.L.; Kovba, L.M.; Serezhkin, V.N.","Crystal Structure of Barium Uranyl Molybdate Ba (U O2)3 (Mo O4)4 (H2 O)4","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1984","10","","854","857","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531070","9.272","","7.283","","12.723","","90","","90","","90","","859.158","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Rb2 (Co Cl4)","","- Cl4 Co Rb2 -","- Cl4 Co Rb2 -","- Cl16 Co4 Rb8 -","4","0.5","","Amit, M.; Horowitz, A.; Makovsky, J.","Crystal structure of (Rb2 Co Cl4) and (Rb3 Mn2 Cl7)","Israel Journal of Chemistry","1972","10","","715","719","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531071","5.089","","5.089","","26.146","","90","","90","","90","","677.127","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Rb3 Mn2 Cl7","","- Cl7 Mn2 Rb3 -","- Cl7 Mn2 Rb3 -","- Cl14 Mn4 Rb6 -","2","0.0625","","Amit, M.; Horowitz, A.; Makovsky, J.","Crystal structure of (Rb2 Co Cl4) and (Rb3 Mn2 Cl7)","Israel Journal of Chemistry","1972","10","","715","719","","","","","","","","","","","","","","","","","","","","","","has coordinates","156394","2020-10-21","18:00:00",""
"1532570","8.3563","","8.3563","","8.3563","","90","","90","","90","","583.502","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Fe ((Ni0.3 Cu0.7 Fe0.7 Cr0.3) O4)","","- Cr0.3 Cu0.7 Fe1.7 Ni0.3 O4 -","- Cr0.3 Cu0.7 Fe1.7 Ni0.3 O4 -","- Cr2.4 Cu5.6 Fe13.6 Ni2.4 O32 -","8","0.0416667","","Ahmed Farag, I.S.; Ahmed, M.A.; Hammad, S.M.; Moustafa, A.M.","Estimation of inversion parameter of (Ni0.3-x Mgx) Cu0.7 Fe1.7 Cr0.3 O4 compound by Rietveld method","Journal of Materials Science and Technology","2002","10","","65","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","158506","2020-10-21","18:00:00",""
"1532571","8.3578","","8.3578","","8.3578","","90","","90","","90","","583.816","","","","","","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","(Fe0.95 Mg0.05) ((Ni0.25 Cu0.7 Fe0.75 Cr0.3) O4)","","- Cr0.3 Cu0.7 Fe1.7 Mg0.05 Ni0.25 O4 -","- Cr0.3 Cu0.7 Fe1.7 Mg0.05 Ni0.25 O4 -","- Cr2.4 Cu5.6 Fe13.6 Mg0.4 Ni2 O32 -","8","0.0416667","","Ahmed Farag, I.S.; Ahmed, M.A.; Hammad, S.M.; Moustafa, A.M.","Estimation of inversion parameter of (Ni0.3-x Mgx) Cu0.7 Fe1.7 Cr0.3 O4 compound by Rietveld method","Journal of Materials Science and Technology","2002","10","","65","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","158508","2020-10-21","18:00:00",""
"1532573","8.3671","","8.3671","","8.3671","","90","","90","","90","","585.767","","","","","","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","(Fe0.1772 Cu0.6228 Mg0.2) ((Ni0.1 Cu0.0772 Fe1.5228 Cr0.3) O4)","","- Cr0.3 Cu0.7 Fe1.7 Mg0.2 Ni0.1 O4 -","- Cr0.3 Cu0.7 Fe1.7 Mg0.2 Ni0.1 O4 -","- Cr2.4 Cu5.6 Fe13.6 Mg1.6 Ni0.8 O32 -","8","0.0416667","","Ahmed Farag, I.S.; Ahmed, M.A.; Hammad, S.M.; Moustafa, A.M.","Estimation of inversion parameter of (Ni0.3-x Mgx) Cu0.7 Fe1.7 Cr0.3 O4 compound by Rietveld method","Journal of Materials Science and Technology","2002","10","","65","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","158510","2020-10-21","18:00:00",""
"1532722","5.5148","","5.5148","","13.3588","","90","","90","","120","","351.85","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","(La0.924 K0.039) Mn0.963 O3","","- K0.039 La0.924 Mn0.963 O3 -","- K0.039 La0.924 Mn0.963 O3 -","- K0.234 La5.544 Mn5.778 O18 -","6","0.166667","","Ng Lee, Y.; Lloret, F.; Sapina, F.; Martinez, E.; Folgado, J.V.; Beltran, D.; Segura, A.","Sintesis a bajas temperaturas, estructura y magnetorresistencia de perovskitas La1-x Kx Mn O3+d submicrometricas","Ciencia","2002","10","","236","246","","","","","","","","","","","","","","","","","","","","","","has coordinates","158693","2020-10-21","18:00:00",""
"1532725","5.5123","","5.5123","","13.3742","","90","","90","","120","","351.936","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","(La0.882 K0.108) Mn0.981 O3","","- K0.108 La0.882 Mn0.981 O3 -","- K0.108 La0.882 Mn0.981 O3 -","- K0.648 La5.292 Mn5.886 O18 -","6","0.166667","","Ng Lee, Y.; Sapina, F.; Beltran, D.; Martinez, E.; Folgado, J.V.; Lloret, F.; Segura, A.","Sintesis a bajas temperaturas, estructura y magnetorresistencia de perovskitas La1-x Kx Mn O3+d submicrometricas","Ciencia","2002","10","","236","246","","","","","","","","","","","","","","","","","","","","","","has coordinates","158697","2020-10-21","18:00:00",""
"1534530","8.309","","8.309","","8.309","","90","","90","","90","","573.649","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Eu3 Ta O6","","- Eu3 O6 Ta -","- Eu3 O6 Ta -","- Eu12 O24 Ta4 -","4","0.0208333","","Sato, K.; Adachi, G.Y.; Shiokawa, J.","Preparation and structure of Eu2 Eu Ta O6","Materials Research Bulletin","1975","10","","113","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534884","10.06","","19.45","","8.7","","90","","90","","90","","1702.3","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","K (H Se O4)","","- K Se -","- K Se -","- K16 Se16 -","16","2","","Madar, J.","A contribution to the crystal structure of K H Se O4","Czechoslovak Journal of Physics","1960","10","","259","259","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534958","7.6998","","7.6998","","7.6998","","55.787","","55.787","","55.787","","291.257","","","","","","","","","","","","","2","R -3 :R","-P 3*","148","","Sb (N3)3","","- N9 Sb -","- N9 Sb -","- N18 Sb2 -","2","0.333333","","Haiges, R.; Gerken, M.; Vij, A.; Boatz, J.A.; Schneider, S.; Schroer, T.; Christe, K.O.","First structural characterization of binary As(III) and Sb(III) azides","Chemistry - A European Journal","2004","10","","508","517","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534962","7.3263","","11.7162","","6.9865","","90","","107.219","","90","","572.818","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","As (N3)3","","- As N9 -","- As N9 -","- As4 N36 -","4","1","","Haiges, R.; Vij, A.; Schneider, S.; Boatz, J.A.; Schroer, T.; Gerken, M.; Christe, K.O.","First Structural Characterization of Binary AsIII and SbIII Azides","Chemistry - A European Journal","2004","10","","508","517","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535138","7.2852","","9.9568","","13.2519","","90","","90","","90","","961.257","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Mn3 (O H)2 (S O4)2 (H2 O)2","","- H6 Mn3 O12 S2 -","- H4 Mn3 O12 S2 -","- H16 Mn12 O48 S8 -","4","0.5","","Ben Salah, M.; Vilminot, S.; Kurmoo, M.; Bouree-Vigneron, F.; Richard-Plouet, M.; Gilles, A.; Mhiri, T.","Synthesis, nuclear, and magnetic structures and magnetic properties of (Mn3 (O H)2 (S O4)2 (H2 O)2)","Chemistry - A European Journal","2004","10","","2048","2057","","","","","","","","","","","","","","","","","","","","","","has coordinates","162340","2020-10-21","18:00:00",""
"1535148","10.732","","6.941","","6.814","","90","","90","","90","","507.58","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Cu F (As F6)","","- As Cu F7 -","- As Cu F7 -","- As4 Cu4 F28 -","4","0.25","","Mazej, Z.; Arcon, I.; Benkic, P.; Tressaud, A.; Kodre, A.","Compressed octahedral coordination in chain compounds containing divalent copper: Structure and magnetic properties of CuFAsF6 and CsCuAlF6","Chemistry - A European Journal","2004","10","","5052","5058","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535229","8.7","","5.79","","9.78","","90","","108.9","","90","","466.087","","","","","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","(Mn1.7 Ca0.3) (Al2.3 Mg0.3 Mn0.3 Fe0.1) (Si3 O10.7) (O H)3.3","","- Al2.3 Ca0.3 Fe0.1 H3.3 Mg0.3 Mn2 O14 Si3 -","- Al2.3 Ca0.3 Fe0.1 H3 Mg0.3 Mn2 O14 Si3 -","- Al4.6 Ca0.6 Fe0.2 H6 Mg0.6 Mn4 O28 Si6 -","2","0.5","","Mellini, M.; Merlino, S.; Pasero, M.","X-ray and HRTEMN study of sursassite:Crystal structure stacking disorder, and sursassite-pumpellyite intergrowth","Physics and Chemistry of Minerals (Germany)","1984","10","","99","105","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535230","8.475","","9.869","","9.889","","112.06","","111.97","","96.99","","677.004","","","","","","","","","","","","","4","P -1","-P 1","2","","Zn3 (H P O4)3 (H2 O)3","","- H9 O15 P3 Zn2.5 -","- H9 O15 P3 Zn2.5 -","- H18 O30 P6 Zn5 -","2","1","","Herschke, L.; Enkelmann, V.; Lieberwirth, I.; Wegner, G.","The role of hydrogen bonding in the crystal structures of zinc phosphate hydrates","Chemistry - A European Journal","2004","10","","2795","2803","","","","","","","","","","","","","","","","","","","","","","has coordinates","162492","2020-10-21","18:00:00",""
"1535475","8.0681","","8.0681","","6.9497","","90","","90","","90","","452.385","","","","","","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- Hg K2 Se4 Sn -","- Hg K2 Se4 Sn -","- Hg2 K4 Se8 Sn2 -","2","0.125","","Brandmayer, M.K.; Clerac, R.; Weigend, F.; Dehnen, S.","Ortho-Chalcogenostannates as Ligands: Syntheses, Crystal Structures, Electronic Properties, and Magnetism of Novel Compounds Containing Ternary Anionic Substructures [M4(4-Se)(SnSe4)4]10- (M=Mn, Zn, Cd, Hg), {[Hg4(4-Se)(SnSe4)3]6-}, or {[HgSnSe4]2-}","Chemistry - A European Journal","2004","10","","5147","5157","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535602","18.214","","18.214","","18.214","","90","","90","","90","","6042.49","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Ir36.22 Zn369.79 -","- Ir36.204 Zn369.912 -","- Ir36.204 Zn369.912 -","1","0.0104167","","Hornfeck, W.; Lee, S.; Thimmaiah, S.; Harbrecht, B.","Structure-composition relations for the Hume-Rothery phase Ir(7+7delta) Zn(97-11delta) (0.31 < delta < 0.58)","Chemistry - A European Journal","2004","10","","4616","4626","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535605","18.224","","18.224","","18.224","","90","","90","","90","","6052.45","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Ir38.35 Zn367.3 -","- Ir38.36 Zn367.048 -","- Ir38.36 Zn367.048 -","1","0.0104167","","Hornfeck, W.; Thimmaiah, S.; Harbrecht, B.; Lee, S.","Structure-composition relations for the Hume-Rothery phase Ir(7+7delta) Zn(97-11delta) (0.31 < delta < 0.58)","Chemistry - A European Journal","2004","10","","4616","4626","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535607","18.224","","18.224","","18.224","","90","","90","","90","","6052.45","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Ir43.96 Zn358.94 -","- Ir43.96 Zn358.944 -","- Ir43.96 Zn358.944 -","1","0.0104167","","Hornfeck, W.; Thimmaiah, S.; Lee, S.; Harbrecht, B.","Structure-composition relations for the Hume-Rothery phase Ir(7+7delta) Zn(97-11delta) (0.31 < delta < 0.58)","Chemistry - A European Journal","2004","10","","4616","4626","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535716","3.808","","3.808","","3.808","","90","","90","","90","","55.219","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","K (C N)","","- C K N -","- C K N -","- C K N -","1","0.0208333","","Decker, D.L.; Beyerlein, R.A.; Roult, G.; Worlton, T.G.","Neutron diffraction study of K C N-III and K C N-IV at high pressure","Physical Review, Serie 3. B - Solid State (1,1970-17,1977)","1974","10","","3584","3593","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535719","5.5307","","5.2093","","3.7431","","90","","85.58","","90","","107.522","","","","","","","","","","","","","3","C 1 m 1","C -2y","8","","K (C N)","","- C K N -","- C K N -","- C2 K2 N2 -","2","0.5","","Decker, D.L.; Beyerlein, R.A.; Worlton, T.G.; Roult, G.","Neutron diffraction study of K C N-III and K C N-IV at high pressure","Physical Review, Serie 3. B - Solid State (1,1970-17,1977)","1974","10","","3584","3593","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536841","5.502","","5.752","","7.954","","90","","90","","90","","251.724","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Eu Sc O3","","- Eu O3 Sc -","- Eu O3 Sc -","- Eu4 O12 Sc4 -","4","0.5","","Faucher, M.; Caro, P.","Affinement de structure et transitions electroniques de Eu Sc O3","Materials Research Bulletin","1975","10","","1","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536843","3.7756","","3.7756","","20.214","","90","","90","","90","","288.154","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Sr La2 Al2 O7","","- Al2 La2 O7 Sr -","- Al2 La1.9998 O7 Sr0.9999 -","- Al4 La3.9996 O14 Sr1.9998 -","2","0.0625","","Fava, J.; le Flem, G.","Les phases Sr La2 Al2 O7 et Sr Gd2 Al2 O7","Materials Research Bulletin","1975","10","","75","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536847","8.1051","","17.0316","","7.8255","","90","","105.574","","90","","1040.59","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","K2 (U O2 Co (P O4)2) (H2 O)","","- Co H2 K2 O11 P2 U -","- Co K2 O11 P2 U -","- Co4 K8 O44 P8 U4 -","4","1","","Yu Yaqin; Albrecht-Schmitt, T.E.","Incorporation of tetrahedral Co(II) into a mixed-metal uranyl phosphate framework: Synthesis and structure of K2 [U O2 Co (P O4)2] * H2 O","Solid State Sciences","2008","10","","821","824","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536929","8.5965","","8.5965","","8.3871","","90","","90","","120","","536.767","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Yb1.787 Fe17.426","","- Fe17.426 Yb1.787 -","- Fe17.426 Yb1.787 -","- Fe34.852 Yb3.574 -","2","0.0833333","","Filinchuk, Y.E.; Yvon, K.; Cerny, R.; Birkedal, H.; Yanson, T.I.; Hostettler, M.; Bodak, O.I.","Nanoscale Chemical and Structural Inhomogeneities in a Stacking Disordered Alloy","Chemistry - A European Journal","2004","10","","2972","2976","","","","","","","","","","","","","","","","","","","","","","has coordinates","164830","2020-10-21","18:00:00",""
"1536932","8.5965","","8.5965","","12.5806","","90","","90","","120","","805.147","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Yb1.26 Fe11.21 Ga0.27","","- Fe11.21 Ga0.27 Yb1.26 -","- Fe11.2111 Ga0.272667 Yb1.25813 -","- Fe33.6332 Ga0.818 Yb3.7744 -","3","0.125","","Filinchuk, Y.E.; Birkedal, H.; Cerny, R.; Hostettler, M.; Yanson, T.I.; Bodak, O.I.; Yvon, K.","Nanoscale Chemical and Structural Inhomogeneities in a Stacking Disordered Alloy","Chemistry - A European Journal","2004","10","","2972","2976","","","","","","","","","","","","","","","","","","","","","","has coordinates","164834","2020-10-21","18:00:00",""
"1537097","24.136","","4.3118","","11.0169","","90","","91.683","","90","","1146.03","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Eu3 Ga4 Ge6 -","- Eu3 Ga4 Ge6 -","- Eu12 Ga16 Ge24 -","4","0.5","","Zhuraleva, M.A.; Salvador, J.; Bilc, D.; Kannewurf, C.R.; Mahanti, S.D.; Ireland, J.; Kanatzidis, M.G.","Intermetallics as zintl phases: Yb2 Ga4 Ge6 and RE3 Ga4 Ge6 (RE= Yb, Eu): Structural response of a [Ga4 Ge6]4- framework to reduction by two electrons","Chemistry - A European Journal","2004","10","","3197","3208","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537099","4.1698","","23.254","","10.7299","","90","","90","","90","","1040.42","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ga4 Ge6 Yb2 -","- Ga4 Ge6 Yb2 -","- Ga16 Ge24 Yb8 -","4","0.5","","Zhuraleva, M.A.; Kannewurf, C.R.; Salvador, J.; Ireland, J.; Mahanti, S.D.; Bilc, D.; Kanatzidis, M.G.","Intermetallics as zintl phases: Yb2Ga4Ge6 and RE3Ga4Ge6 (RE= Yb, Eu): Structural response of a [Ga4Ge6]4- framework to reduction by two electrons","Chemistry - A European Journal","2004","10","","3197","3208","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537102","23.941","","4.1928","","10.918","","90","","91.426","","90","","1095.61","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Ga4 Ge6 Yb3 -","- Ga4 Ge6 Yb3 -","- Ga16 Ge24 Yb12 -","4","0.5","","Zhuraleva, M.A.; Salvador, J.; Bilc, D.; Mahanti, S.D.; Ireland, J.; Kanatzidis, M.G.; Kannewurf, C.R.","Intermetallics as zintl phases: Yb2Ga4Ge6 and RE3Ga4Ge6 (RE= Yb, Eu): Structural response of a [Ga4Ge6]4- framework to reduction by two electrons","Chemistry - A European Journal","2004","10","","3197","3208","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537234","10.66","","10.66","","10.66","","90","","90","","90","","1211.35","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Tl (Ta O3)","","- O3 Ta Tl -","- O3 Ta Tl -","- O48 Ta16 Tl16 -","16","0.0833333","","Ganne, M.; Tournoux, M.","Structure et anomalie dielectrique de Tl2 Ta2 O6","Materials Research Bulletin","1975","10","","1313","1318","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537280","14.7749","","14.7749","","11.189","","90","","90","","90","","2442.53","","","","","","","","","","","","","5","I 4/m","-I 4","87","","","","- H8 Li3 Mo9 O41 S8 -","- H8 Li3 Mo9 O41 S8 -","- H16 Li6 Mo18 O82 S16 -","2","0.125","","du Peloux, C.; Secheresse, F.; Barboux, P.; Laurent, G.; Dolbecq, A.; Marrot, J.","Octanuclear Oxothiomolybdate (V) Rings: Structure and Ionic Conducting Properties","Chemistry - A European Journal","2004","10","","3026","3032","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537625","7.446","","7.446","","7.446","","90","","90","","90","","412.828","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Np Ru2 -","- Np Ru2 -","- Np8 Ru16 -","8","0.0416667","","Aldred, A.T.; Dunlap, B.D.; Lam, D.J.; Nowik, I.","Magnetic properties of neptunium Laves phases: Np Al2, Np Os2, Np Ir2, and Np Ru2","Physical Review, Serie 3. B - Solid State (1,1970-17,1977)","1974","10","","1011","1019","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537626","7.509","","7.509","","7.509","","90","","90","","90","","423.396","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Ir2 Np -","- Ir2 Np -","- Ir16 Np8 -","8","0.0416667","","Aldred, A.T.; Dunlap, B.D.; Lam, D.J.; Nowik, I.","Magnetic properties of neptunium Laves phases: Np Al2, Np Os2, Np Ir2, and Np Ru2","Physical Review, Serie 3. B - Solid State (1,1970-17,1977)","1974","10","","1011","1019","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537841","4.027","","4.027","","3.859","","90","","90","","90","","62.58","","","","","","","","","","","","","2","P 4/m m m","-P 4 2","123","","","","- Ir Nb -","- Ir Nb -","- Ir2 Nb2 -","2","0.125","","Dwight, A.E.","Alloying behavior of columbium","Metallurgical Society Conferences, Proceedings","1961","10","","383","405","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537843","3.404","","3.404","","3.404","","90","","90","","90","","39.443","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","","","- Nb U -","- Nb U -","- Nb U -","1","0.0104167","","Dwight, A.E.","Alloying behavior of columbium","Metallurgical Society Conferences, Proceedings","1961","10","","383","405","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537845","3.428","","3.428","","3.428","","90","","90","","90","","40.283","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","","","- Nb Zr -","- Nb Zr -","- Nb Zr -","1","0.0104167","","Dwight, A.E.","Alloying behavior of columbium","Metallurgical Society Conferences, Proceedings","1961","10","","383","405","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538094","5.496","","5.496","","4.39","","90","","90","","120","","114.839","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ir3 W -","- Ir3 W -","- Ir6 W2 -","2","0.0833333","","Giessen, B.C.; Jaehnigen, U.; Grant, N.J.","Ordered AB and AB3 phases in T6 - T9 alloy systems and a modified Mo - lr phase diagram","Journal of the Less-Common Metals","1966","10","","147","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538207","4.054","","4.054","","4.054","","90","","90","","90","","66.627","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Pd3 Yb -","- Pd3 Yb -","- Pd3 Yb -","1","0.0208333","","Iandelli, A.; Palenzona, A.","The ytterbium-palladium system","Revue de Chimie Minerale","1973","10","","303","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538224","6.4287","","6.4287","","6.6082","","90","","90","","90","","273.105","","","","","","","","","","","","","2","P 42/m","-P 4c","84","","","","- Pd S -","- Pd S -","- Pd8 S8 -","8","1","","Gronvold, F.; Rost, E.","On the Sulfides, Selenides and Tellurides of Palladium","Acta Chemica Scandinavica (1-27,1973-42,1988)","1956","10","","1620","1634","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538227","4.1521","","4.1521","","5.6719","","90","","90","","120","","84.683","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Pd Te -","- Pd Te -","- Pd2 Te2 -","2","0.0833333","","Gronvold, F.; Rost, E.","On the Sulfides, Selenides and Tellurides of Palladium","Acta Chemica Scandinavica (1-27,1973-42,1988)","1956","10","","1620","1634","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538309","9.788","","5.12","","8.598","","90","","90","","90","","430.885","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Ti O) (S O4) (H2 O)","","- H2 O6 S Ti -","- O6 S Ti -","- O24 S4 Ti4 -","4","0.5","","Lundgren, G.","On the crystal structure of Ti O S O4 H2 O","Arkiv foer Kemi","1956","10","","397","413","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538310","10.661","","10.661","","10.288","","90","","90","","90","","1169.3","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ce3 (S O4)3 (O H)2 O2","","- Ce3 H2 O16 S3 -","- Ce3 O16 S3 -","- Ce12 O64 S12 -","4","0.25","","Lundgren, G.","The crystal structure of Ce6 O4 (O H)4 (S O4)6","Arkiv foer Kemi","1957","10","","183","197","","","","","","","","","","","","","","","","","","","","","","has coordinates","200438","2020-10-21","18:00:00",""
"1538581","6.254","","6.254","","6.254","","90","","90","","90","","244.61","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Np Sb -","- Np Sb -","- Np4 Sb4 -","4","0.0208333","","Lander, G.H.; Mueller, M.H.","Magnetically induced lattice distortions in actinide compounds","Physical Review, Serie 3. B - Solid State (1,1970-17,1977)","1974","10","","1994","2003","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538625","6.338","","6.338","","6.338","","90","","90","","90","","254.599","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Nd Sb -","- Nd Sb -","- Nd4 Sb4 -","4","0.0208333","","Levy, F.","Effets magnetostrictifs spontanes de quelques composes de terres rares. II Les combinaisons Ln X","Physik der Kondensierten Materie","1969","10","","85","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538746","6.117","","6.117","","6.117","","90","","90","","90","","228.884","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Pb Se -","- Pb Se -","- Pb4 Se4 -","4","0.0208333","","Mariano, A.N.; Chopra, K.L.","Polymorphism in some IV-VI compounds induced by high pressure and thin-film epitaxial growth","Applied Physics Letters","1967","10","","282","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538864","6.965","","6.965","","6.965","","90","","90","","90","","337.881","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Ni2 Tm -","- Ni2 Tm -","- Ni16 Tm8 -","8","0.0416667","","Kripyakevich, P.I.; Frankevich, D.P.; Teslyuk, M.Yu.","New compounds of the MgCu2 type in alloys of rare-earth metals with Fe, Co, and Ni","Soviet Physics, Crystallography (= Kristallografiya)","1965","10","","344","345","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538927","4.653","","4.653","","4.653","","90","","90","","90","","100.739","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Lu Tl3 -","- Lu Tl3 -","- Lu Tl3 -","1","0.0208333","","Palenzona, A.","MX3 intermetallic phase of the rare earths with Hg, In, Tl, Pb","Journal of the Less-Common Metals","1966","10","","290","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539090","5.538","","5.538","","5.538","","54.68","","54.68","","54.68","","105.215","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Fe (Ti O3)","","- Fe O3 Ti -","- Fe O3 Ti -","- Fe2 O6 Ti2 -","2","0.333333","","Shirane, G.; Pickart, S.J.; Nathans, R.; Ishikawa, Y.","Neutron-diffraction study of antiferromagnetic Fe Ti O3 and its solid solutions with alpha-Fe2 O3","Journal of Physics and Chemistry of Solids","1959","10","","35","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539153","6.08","","6.08","","6.08","","90","","90","","90","","224.756","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Yb Sb","","- Sb Yb -","- Sb Yb -","- Sb4 Yb4 -","4","0.0208333","","Samsonov, G.V.; Shokirov, Kh.; Abdusalyamova, M.N.","Thermal expansion of the rare earth monoantimonides","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1974","10","","790","791","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539196","3.629","","3.629","","5.89","","90","","90","","120","","67.177","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","","","","- N -","- N -","- N2 -","2","0.0833333","","Schiferl, D.; Cromer, D.T.; Mills, R.L.","Crystal structures of nitrogen 14 at 25 kbar and 296 K","High Temperatures-High Pressures","1978","10","","493","496","","","","","","","","","","","","","","","","","","","","","","has coordinates","292204","2024-06-05","14:01:46",""
"1539383","6.09","","6.09","","6.09","","90","","90","","90","","225.867","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ho Te -","- Ho Te -","- Ho4 Te4 -","4","0.0208333","","Yarembash, E.I.; Aminov, T.G.; Vigileva, E.S.; Eliseev, A.A.; Chernitsyna, M.A.; Zachatskaya, A.V.","Phase diagram of the system Ho-Te","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1974","10","","1212","1215","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539433","5.273","","5.273","","5.273","","90","","90","","90","","146.613","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Cd (O2).88 (O H).24","","- Cd H0.24 O2 -","- Cd O2 -","- Cd4 O8 -","4","0.166667","","Vannerberg, N.G.","On the formation and structure of cadmium peroxides","Arkiv foer Kemi","1956","10","","455","459","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539554","6.02","","6.02","","6.02","","90","","90","","90","","218.167","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Mn Ni2 Sb -","- Mn Ni2 Sb -","- Mn4 Ni8 Sb4 -","4","0.0416667","","Szytula, A.; Rzany, H.; Kolodziejczyk, A.; Todorovic, J.; Wanic, A.","Atomic and magnetic structure of the Heusler alloys Ni2 Mn Sb, Ni2 Mn Sn, and Co2 Mn Sn","Physica Status Solidi, Sectio A: Applied Research","1972","10","","57","65","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539573","25.06","","25.06","","25.06","","90","","90","","90","","15737.8","","","","","","","","","","","","","6","F d -3 :2","-F 2uv 2vw 3","203","","Mg19.2 Na26.88 (Al92 Si100 O384) (H2 O)106.24","","- Al92 H212.48 Mg19.2 Na26.88 O490.24 Si100 -","- Al91.9968 Mg19.2 Na27.2 O490.24 Si100.003 -","- Al91.9968 Mg19.2 Na27.2 O490.24 Si100.003 -","1","0.0104167","","Anderson, A.A.; Shepelev, Yu.F.; Smolin, Yu.I.","Structural study of Mg-exchanged NaX and CaX zeolites in hydrated (25oC) and dehydrated (400oC) states","Zeolites","1990","10","","32","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539575","24.78","","24.78","","24.78","","90","","90","","90","","15216.1","","","","","","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","","Mg25.28 Na31.34 (Al92 Si100 O384)","","- Al92 Mg25.28 Na31.34 O384 Si100 -","- Al91.9968 Mg25.28 Na31.36 O384 Si100.003 -","- Al91.9968 Mg25.28 Na31.36 O384 Si100.003 -","1","0.0104167","","Anderson, A.A.; Shepelev, Yu.F.; Smolin, Yu.I.","Structural study of Mg-exchanged NaX and CaX zeolites in hydrated (25oC) and dehydrated (400oC) states","Zeolites","1990","10","","32","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","168521","2020-10-21","18:00:00",""
"1539576","25.06","","25.06","","25.06","","90","","90","","90","","15737.8","","","","","","","","","","","","","6","F d -3 :2","-F 2uv 2vw 3","203","","Ca18.56 Mg8.64 (Al92 Si100 O384) (H2 O)109.44","","- Al92 Ca18.56 H218.88 Mg8.64 O493.44 Si100 -","- Al91.9968 Ca18.56 Mg8.64 O493.44 Si100.003 -","- Al91.9968 Ca18.56 Mg8.64 O493.44 Si100.003 -","1","0.0104167","","Anderson, A.A.; Shepelev, Yu.F.; Smolin, Yu.I.","Structural study of Mg-exchanged NaX and CaX zeolites in hydrated (25oC) and dehydrated (400oC) states","Zeolites","1990","10","","32","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539578","24.92999","","24.92999","","24.92999","","90","","90","","90","","15494.1","","","","","","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","","Ca23.20 Mg22.4 (Al92 Si100 O384)","","- Al92 Ca23.2 Mg22.4 O384 Si100 -","- Al91.9968 Ca23.2 Mg22.4 O384 Si100.003 -","- Al91.9968 Ca23.2 Mg22.4 O384 Si100.003 -","1","0.0104167","","Anderson, A.A.; Smolin, Yu.I.; Shepelev, Yu.F.","Structural study of Mg-exchanged NaX and CaX zeolites in hydrated (25oC) and dehydrated (400oC) states","Zeolites","1990","10","","32","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","168525","2020-10-21","18:00:00",""
"1539666","3.4559","","3.4559","","5.7789","","90","","90","","120","","59.772","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Fe S -","- Fe S -","- Fe2 S2 -","2","0.0833333","","Fasiska, E.J.","Some defect structures of iron sulfide","Physica Status Solidi, Sectio A: Applied Research","1972","10","","169","173","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540237","12.251","","12.251","","12.251","","90","","90","","90","","1838.72","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Mg2.5 Na7 Si12 Al12 O48","","- Al12 Mg2.5 Na7 O48 Si12 -","- Al12 Mg2.5 Na7 O48 Si12 -","- Al12 Mg2.5 Na7 O48 Si12 -","1","0.0208333","","Kim, Y.; Lee, S.H.; Park, J.Y.; Kim, U.S.","Two crystal structures of fully dehydrated partially magnesium exchanged zeolite A, Mg1.5 Na9 - A and Mg2.5 Na7 - A","Bulletin of the Korean Chemical Society","1989","10","","349","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","169476","2020-10-21","18:00:00",""
"1540239","12.214","","12.214","","12.214","","90","","90","","90","","1822.11","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Mg1.5 Na9 Si12 Al12 O48","","- Al12 Mg1.5 Na9 O48 Si12 -","- Al12 Mg1.5 Na8.996 O48 Si12 -","- Al12 Mg1.5 Na8.996 O48 Si12 -","1","0.0208333","","Kim, Y.; Kim, U.S.; Lee, S.H.; Park, J.Y.","Two crystal structures of fully dehydrated partially magnesium exchanged zeolite A, Mg1.5 Na9 - A and Mg2.5 Na7 - A","Bulletin of the Korean Chemical Society","1989","10","","349","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","169478","2020-10-21","18:00:00",""
"1540271","18.011","","10.466","","19.035","","90","","113.97","","90","","3278.71","","","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(Ga (As O4))6 ((C H3)2 N H)4 (H F)2 (H2 O)2","","- C8 H34 As6 F2 Ga6 N4 O26 -","- C8 As6 F2 Ga6 N4 O26 -","- C32 As24 F8 Ga24 N16 O104 -","4","1","","Li, L.; Yang, G.; Chen, J.; Xu, R.","Preparation and structural characterization of a dimethylamine-occluding galloarsenate","Jiegon Huaxue","1990","10","","47","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540961","24.82","","24.82","","24.82","","90","","90","","90","","15289.9","","","","","","","","","","","","","6","F d -3 :2","-F 2uv 2vw 3","203","","Li17.28 Na30.72 (Al92 Si100 O384) (H2 O)69.06","","- Al92 H138.12 Li17.28 Na30.72 O453.06 Si100 -","- Al91.9968 Li17.28 Na30.72 O452.96 Si100.003 -","- Al91.9968 Li17.28 Na30.72 O452.96 Si100.003 -","1","0.0104167","","Shepelev, Yu.F.; Anderson, A.A.; Smolin, Yu.I.","Crystal structure of a partially lithium-exchanged X zeolite in hydrated (25 oC) and dehydrated (275oC) states","Zeolites","1990","10","","61","63","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540962","24.75","","24.75","","24.75","","90","","90","","90","","15160.9","","","","","","","","","","","","","6","F d -3 :2","-F 2uv 2vw 3","203","","Li41.28 Na24.32 (Al92 Si100 O384) (H2 O)8.64","","- Al92 H17.28 Li41.28 Na24.32 O392.64 Si100 -","- Al91.9968 Li41.28 Na24.32 O392.64 Si100.003 -","- Al91.9968 Li41.28 Na24.32 O392.64 Si100.003 -","1","0.0104167","","Shepelev, Yu.F.; Anderson, A.A.; Smolin, Yu.I.","Crystal structure of a partially lithium-exchanged X zeolite in hydrated (25 C) and dehydrated (275 C) states","Zeolites","1990","10","","61","63","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541137","8.605","","7.788","","12.27","","90","","90","","90","","822.283","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Pb U2 Se5","","- Pb Se5 U2 -","- Pb Se5 U2 -","- Pb4 Se20 U8 -","4","1","","Potel, M.; Brochu, R.; Padiou, J.","Structure de Pb U2 Se5","Materials Research Bulletin","1975","10","","205","208","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541316","8.228","","5.032","","8.274","","90","","107.46","","90","","326.787","","","","","","","","","","","","","4","P 1 a 1","P -2ya","7","","Li (Al Si O4)","","- Al Li O4 Si -","- Al Li O4 Si -","- Al4 Li4 O16 Si4 -","4","2","","Norby, P.","Thermal transformation of zeolite Li-A(BW). The crystal structure of gamma-eucryptite, a polymorph of Li Al Si O4","Zeolites","1990","10","","193","199","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541379","8.413","","8.413","","8.413","","90","","90","","90","","595.46","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Mg1.1 Sn.1 Fe1.8 O4","","- Fe1.8 Mg1.1 O4 Sn0.1 -","- Fe1.8 Mg1.1 O4 Sn0.1 -","- Fe14.4 Mg8.8 O32 Sn0.8 -","8","0.0416667","","Bokov, V.A.; Proskuryakov, O.B.; Novikov, G.V.; Trukhtanov, V.A.; Saksonov, Yu.G.; Yushchuk, S.I.","Magnetic Properties and Crystal Structure of the Solid Solution System Mg2 Sn O4 - Mg Fe2 O4","Fizika Tverdogo Tela (Leningrad) (= Solid State Physics)","1968","10","","1080","1084","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1541380","8.447","","8.447","","8.447","","90","","90","","90","","602.709","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Mg1.2 Sn.2 Fe1.6 O4","","- Fe1.6 Mg1.2 O4 Sn0.2 -","- Fe1.6 Mg1.2 O4 Sn0.2 -","- Fe12.8 Mg9.6 O32 Sn1.6 -","8","0.0416667","","Bokov, V.A.; Saksonov, Yu.G.; Novikov, G.V.; Proskuryakov, O.B.; Trukhtanov, V.A.; Yushchuk, S.I.","Magnetic Properties and Crystal Structure of the Solid Solution System Mg2 Sn O4 - Mg Fe2 O4","Fizika Tverdogo Tela (Leningrad) (= Solid State Physics)","1968","10","","1080","1084","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1541381","8.48","","8.48","","8.48","","90","","90","","90","","609.8","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Mg1.3 Sn.3 Fe1.4 O4","","- Fe1.4 Mg1.3 O4 Sn0.3 -","- Fe1.4 Mg1.3 O4 Sn0.3 -","- Fe11.2 Mg10.4 O32 Sn2.4 -","8","0.0416667","","Bokov, V.A.; Proskuryakov, O.B.; Novikov, G.V.; Saksonov, Yu.G.; Trukhtanov, V.A.; Yushchuk, S.I.","Magnetic Properties and Crystal Structure of the Solid Solution System Mg2 Sn O4 - Mg Fe2 O4","Fizika Tverdogo Tela (Leningrad) (= Solid State Physics)","1968","10","","1080","1084","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1541382","8.503","","8.503","","8.503","","90","","90","","90","","614.775","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Mg1.4 Sn.4 Fe1.2 O4","","- Fe1.2 Mg1.4 O4 Sn0.4 -","- Fe1.2 Mg1.4 O4 Sn0.4 -","- Fe9.6 Mg11.2 O32 Sn3.2 -","8","0.0416667","","Bokov, V.A.; Novikov, G.V.; Proskuryakov, O.B.; Trukhtanov, V.A.; Saksonov, Yu.G.; Yushchuk, S.I.","Magnetic Properties and Crystal Structure of the Solid Solution System Mg2 Sn O4 - Mg Fe2 O4","Fizika Tverdogo Tela (Leningrad) (= Solid State Physics)","1968","10","","1080","1084","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1541383","8.531","","8.531","","8.531","","90","","90","","90","","620.869","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Mg1.5 Sn.5 Fe O4","","- Fe Mg1.5 O4 Sn0.5 -","- Fe Mg1.5 O4 Sn0.5 -","- Fe8 Mg12 O32 Sn4 -","8","0.0416667","","Bokov, V.A.; Trukhtanov, V.A.; Novikov, G.V.; Proskuryakov, O.B.; Saksonov, Yu.G.; Yushchuk, S.I.","Magnetic Properties and Crystal Structure of the Solid Solution System Mg2 Sn O4 - Mg Fe2 O4","Fizika Tverdogo Tela (Leningrad) (= Solid State Physics)","1968","10","","1080","1084","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541384","8.635","","8.635","","8.635","","90","","90","","90","","643.853","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Mg2 Sn O4","","- Mg2 O4 Sn -","- Mg2 O4 Sn -","- Mg16 O32 Sn8 -","8","0.0416667","","Bokov, V.A.; Novikov, G.V.; Yushchuk, S.I.; Proskuryakov, O.B.; Trukhtanov, V.A.; Saksonov, Yu.G.","Magnetic Properties and Crystal Structure of the Solid Solution System Mg2 Sn O4 - Mg Fe2 O4","Fizika Tverdogo Tela (Leningrad) (= Solid State Physics)","1968","10","","1080","1084","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541536","12.518","","12.518","","12.518","","90","","90","","90","","1961.57","","","","","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","Y2.3 Pr0.7 Sc0.8 Fe4.2 O12","","- Fe4.2 O12 Pr0.7 Sc0.8 Y2.3 -","- Fe4.2 O12 Pr0.699 Sc0.8 Y2.301 -","- Fe33.6 O96 Pr5.592 Sc6.4 Y18.408 -","8","0.0833333","","Dernier, P.D.; Gyorgy, E.M.; Grodkiewicz, W.H.","Structural variation in the Y3-c Prc Fe4 O12 garnet system","Journal of Solid State Chemistry","1974","10","","122","127","","","","","","","","","","","","","","","","","","","","","","has coordinates","172886","2020-10-21","18:00:00",""
"1541803","4.28","","4.28","","39.2","","90","","90","","120","","621.877","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Ge Bi2 Te4","","- Bi2 Ge Te4 -","- Bi2 Ge Te4 -","- Bi6 Ge3 Te12 -","3","0.0833333","","Agaev, K.A.; Semiletov, S.A.","An electron diffraction study of the structure of Ge Bi2 Te4","Kristallografiya","1965","10","","109","112","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541856","11.88","","11.88","","12.68","","90","","90","","120","","1549.82","","","","","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","Na3.2 P O4 Cl.2 (H2 O)11","","- Cl0.201 H15 Na3.2 O15.001 P -","- Cl0.201 H15 Na3.2 O15.001 P -","- Cl0.804 H60 Na12.8 O60.004 P4 -","4","0.333333","","Larbot, A.; Durand, J.; le Cot, L.","Trisodium orthophosphate - sodium chloride - water (5/1/55), Na3 P O4 * 11 H2 O * 1/5 Na Cl","Crystal Structure Communications","1981","10","","55","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542152","13.514","","9.132","","9.22","","90","","132.9","","90","","833.516","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Co2 (P O4) Cl","","- Cl Co2 O4 P -","- Cl Co2 O4 P -","- Cl8 Co16 O32 P8 -","8","1","","Nord, A.G.; Stefanidis, T.","The structure of cobalt(II) chlorophosphate, Co2 (P O4) Cl","Crystal Structure Communications","1981","10","","1251","1257","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1544747","5.435","0.001","9.413","0.002","10.458","0.003","90","","100.03","0.03","90","","526.9","0.2","","","","","","","","","","","","7","C 1 2/m 1","-C 2y","12","KMg2.32Mn0.68Ge3AlO10F2","","KMg2.32Mn0.68Ge3AlO10F2","- Al F2 Ge3 K Mg2.32 Mn0.68 O10 -","- Al3 F2 Ge3 K Mg2.31 Mn0.69 O10 -","- Al6 F4 Ge6 K2 Mg4.62 Mn1.38 O20 -","2","0.25","","Toraya, H.; Marumo, F.","Structure variation with octahedral cation substitution in the system of germanate micas, KMg3-xMnxGe3AlO10F2","Mineralogical Journal","1981","10","","396","407","","","","","","","","","","","","","","","","","","","","","","has coordinates","188975","2020-10-21","18:00:00",""
"1544748","5.489","0.001","9.509","0.001","10.462","0.003","90","","100.12","0.02","90","","537.57","0.19","","","","","","","","","","","","7","C 1 2/m 1","-C 2y","12","KMg1.04Mn1.96Ge3AlO10F2","","KMg1.04Mn1.96Ge3AlO10F2","- Al F2 Ge3 K Mg1.04 Mn1.96 O10 -","- Al F2 Ge3 K Mg1.05 Mn1.95 O10 -","- Al2 F4 Ge6 K2 Mg2.1 Mn3.9 O20 -","2","0.25","","Toraya, H.; Marumo, F.","Structure variation with octahedral cation substitution in the system of germanate micas, KMg3-xMnxGe3AlO10F2","Mineralogical Journal","1981","10","","396","407","","","","","","","","","","","","","","","","","","","","","","has coordinates","188976","2020-10-21","18:00:00",""
"1544872","8.92","0.002","5.157","0.002","15.684","0.001","90","","113.61","0.03","90","","661.1","0.3","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","Al2Si2O5(OH)4","","kaolin","- Al2 H4 O9 Si2 -","- Al2 O9 Si2 -","- Al8 O36 Si8 -","4","1","","Toraya, H.; Iwai, S.; Marumo, F.","The structural investigation of a kaolin mineral by X-ray powder pattern-fitting","Mineralogical Journal","1980","10","","168","180","","","","","","","","","","","","","","","","","","","","","","has coordinates","189390","2020-10-21","18:00:00",""
"1544873","13.217","0.002","4.0327","0.0005","14.076","0.004","90","","115.53","0.02","90","","677","0.3","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","CuBi3S5","","CuBi3S5","- Bi2.86 Cu0.98 S5 -","- Bi4.57 Cu1.768 S8 -","- Bi9.14 Cu3.536 S16 -","2","0.25","","Tomeoka, K.; Ohmasa, M.; Sadanaga, R.","Crystal chemical studies on some compounds in the Cu2S-Bi2S3 system Sample: CB-135","Mineralogical Journal","1980","10","","57","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","189400","2020-10-21","18:00:00",""
"1544874","13.207","0.005","3.993","0.005","14.812","0.005","90","","100.2","0.08","90","","768.8","1.1","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","Cu3Bi5S9","","Cu3Bi5S9","- Bi4.89 Cu2.93 S9 -","- Bi4.794 Cu2.926 S9 -","- Bi9.588 Cu5.852 S18 -","2","0.25","","Tomeoka, K.; Ohmasa, M.; Sadanaga, R.","Crystal chemical studies on some compounds in the Cu2S-Bi2S3 system Sample: CB-359","Mineralogical Journal","1980","10","","57","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","189401","2020-10-21","18:00:00",""
"1544907","5.534","","13.565","","25.09","","90","","93.96","","90","","1878.98","","","","","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","(K,Na,Ca)0.96Mn6(Si,Al)12(O,OH)32*nH2O","","ganophyllite: monoclinic subcell","- Al2.5 Ca0.7 K0.17 Mn7.5 Na0.06 O32 Si9.8 -","- K0.5 Mn2 O11 Si3 -","- K4 Mn16 O88 Si24 -","8","1","","Kato, T.","The crystal structure of ganophyllite; monoclinic subcell","Mineralogical Journal","1980","10","","1","13","","","","","","","","","","","","","","","","","","","","","","has coordinates","189465","2020-10-21","18:00:00",""
"1547267","8.3512","0.0009","12.56","0.0013","15.3638","0.0016","90","","90","","90","","1611.5","0.3","180.01","0.1","180.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N3 O -","- C20 H19 N3 O -","- C80 H76 N12 O4 -","4","1","","Peng Lei; Xuebo Zhang; Yan Xu; Gaofei Xu; Xili Liu; Xinling Yang; Xiaohe Zhang; Yun Ling","Synthesis and fungicidal activity of pyrazole derivatives containing 1,2,3,4-tetrahydroquinoline","Chemistry Central Journal","2016","10","","40","","10.1186/s13065-016-0186-8","","","0.7107","MoKα","","0.046","0.0369","","","0.0809","0.0852","","","","","","1.033","","","","has coordinates","201099","2020-10-21","18:00:00",""
"1547268","9.0486","0.0004","9.1081","0.0005","11.7993","0.0006","68.513","0.005","80.348","0.004","64.771","0.005","818.47","0.08","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N4 S -","- C20 H18 N4 S -","- C40 H36 N8 S2 -","2","1","","Ahmed T. A. Boraei; El Sayed H. El Ashry; Axel Duerkop","Regioselectivity of the alkylation of S-substituted 1,2,4-triazoles with dihaloalkanes","Chemistry Central Journal","2016","10","","22","","10.1186/s13065-016-0165-0","","","1.54184","CuKα","","0.034","0.032","","","0.0822","0.084","","","","","","1.046","","","","has coordinates","201100","2020-10-21","18:00:00",""
"1547269","14.839","0.0002","11.3364","0.0001","17.8545","0.0002","90","","102.292","0.001","90","","2934.64","0.06","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H28 N8 S2 -","- C35 H28 N8 S2 -","- C140 H112 N32 S8 -","4","1","","Ahmed T. A. Boraei; El Sayed H. El Ashry; Axel Duerkop","Regioselectivity of the alkylation of S-substituted 1,2,4-triazoles with dihaloalkanes","Chemistry Central Journal","2016","10","","22","","10.1186/s13065-016-0165-0","","","1.54184","CuKα","","0.0428","0.0388","","","0.1015","0.1058","","","","","","1.049","","","","has coordinates","201101","2020-10-21","18:00:00",""
"1547270","32.9005","0.0005","8.0484","0.00012","11.51861","0.00019","90","","106.019","0.0017","90","","2931.65","0.08","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C35 H28 N8 S2 -","- C35 H28 N8 S2 -","- C140 H112 N32 S8 -","4","0.5","","Ahmed T. A. Boraei; El Sayed H. El Ashry; Axel Duerkop","Regioselectivity of the alkylation of S-substituted 1,2,4-triazoles with dihaloalkanes","Chemistry Central Journal","2016","10","","22","","10.1186/s13065-016-0165-0","","","0.71069","MoKα","","0.0328","0.0317","","","0.0841","0.0852","","","","","","1.033","","","","has coordinates","201102","2020-10-21","18:00:00",""
"1547271","9.13384","0.00013","21.768","0.0003","9.47711","0.00013","90","","93.8246","0.0013","90","","1880.09","0.05","123","","123.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Br N4 S -","- C20 H19 Br N4 S -","- C80 H76 Br4 N16 S4 -","4","1","","Ahmed T. A. Boraei; El Sayed H. El Ashry; Axel Duerkop","Regioselectivity of the alkylation of S-substituted 1,2,4-triazoles with dihaloalkanes","Chemistry Central Journal","2016","10","","22","","10.1186/s13065-016-0165-0","","","1.54184","CuKα","","0.0356","0.0293","","","0.0776","0.0802","","","","","","1.072","","","","has coordinates","201103","2020-10-21","18:00:00",""
"1547272","8.3072","0.0011","13.5441","0.0019","17.41","0.002","90","","92.275","0.012","90","","1957.3","0.4","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","2-(10-Hexyl-10H-phenothiazin-3-ylmethylene)-malononitrile","2-(10-Hexyl-10H-phenothiazin-3-ylmethylene)-malononitrile","","- C22 H21 N3 S -","- C22 H21 N3 S -","- C88 H84 N12 S4 -","4","1","","Fatimah Ali Al-Zahrani; Muhammad Nadeem Arshad; Abdullah M. Asiri; Tariq Mahmood; Mazhar Amjad Gilani; Reda M. El-shishtawy","Synthesis and structural properties of 2-((10-alkyl-10H-phenothiazin-3-yl)methylene)malononitrile derivatives; a combined experimental and theoretical insight","Chemistry Central Journal","2016","10","","13","","10.1186/s13065-016-0158-z","","","0.71073","MoKα","","0.2559","0.0659","","","0.1162","0.1809","","","","","","0.837","","","","has coordinates","201104","2020-10-21","18:00:00",""
"1547273","16.4823","0.0007","16.9423","0.0008","17.6368","0.0007","106.027","0.004","110.499","0.004","96.744","0.004","4306.6","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","2-(10-Octyl-10<i>H</i>-phenothiazin-3-ylmethylene)-malononitrile","2-(10-Octyl-10<i>H</i>-phenothiazin-3-ylmethylene)-malononitrile","","- C24 H25 N3 S -","- C24 H25 N3 S -","- C192 H200 N24 S8 -","8","4","","Fatimah Ali Al-Zahrani; Muhammad Nadeem Arshad; Abdullah M. Asiri; Tariq Mahmood; Mazhar Amjad Gilani; Reda M. El-shishtawy","Synthesis and structural properties of 2-((10-alkyl-10H-phenothiazin-3-yl)methylene)malononitrile derivatives; a combined experimental and theoretical insight","Chemistry Central Journal","2016","10","","13","","10.1186/s13065-016-0158-z","","","0.71073","MoKα","","0.2263","0.0752","","","0.1474","0.2185","","","","","","1.013","","","","has coordinates","211409","2020-10-21","18:00:00",""
"1548363","18.702","0.004","36.975","0.007","28.652","0.006","90","","90","","90","","19813","7","293","2","293","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C100 H100 Ag15 Cl4 N4 O10 P12 -","- C104 H90.6667 Ag10 Cl2.66667 N2.66667 P8 -","- C624 H544 Ag60 Cl16 N16 P48 -","6","0.75","","Shen, Xue-Tao; Ma, Xue-Li; Ni, Qing-Ling; Ma, Meng-Xia; Gui, Liu-Cheng; Hou, Cheng; Hou, Ruo-Bing; Wang, Xiu-Jian","[Ag<sub>15</sub>(N-triphos)<sub>4</sub>(Cl<sub>4</sub>)](NO<sub>3</sub>)<sub>3</sub>: a stable Ag-P superatom with eight electrons (N-triphos = tris((diphenylphosphino)methyl)amine).","Nanoscale","2018","10","2","515","519","10.1039/c7nr07308a","","","0.72","","","0.1828","0.1632","","","0.4575","0.4802","","","","","","3.608","","","","has coordinates","230150","2020-10-21","18:00:00",""
"1548582","12.9884","0.0009","17.0042","0.0012","13.3251","0.0009","90","","90.318","0.002","90","","2942.9","0.4","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","Chlorido[tris(<i>p</i>-tolylarsane)gold(I)","","- C21 H21 As Au Cl -","- C21 H21 As Au Cl -","- C126 H126 As6 Au6 Cl6 -","6","3","","Omar bin Shawkataly; Chin-Ping Goh; Abu Tariq; Imthyaz Ahmad Khan; Hoong-Kun Fun; Mohd Mustaqim Rosli","Synthesis, Spectral Characterization and Crystals Structure of some Arsane Derivatives of Gold (I) Complexes: A Comparative Density Functional Theory Study","Plos One","2015","10","","e0119620","","10.1371/journal.pone.0119620","","","0.71073","MoKα","","0.0437","0.0427","","","0.1079","0.1086","","","","","","1.012","","","","has coordinates","204686","2020-10-21","18:00:00",""
"1548583","11.6328","0.0011","14.0632","0.0012","11.9721","0.0011","90","","90","","90","","1958.6","0.3","100","0.1","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Chlorido[tris(<i>m</i>-tolylarsane)gold(I)","","- C21 H21 As Au Cl -","- C21 H21 As Au Cl -","- C84 H84 As4 Au4 Cl4 -","4","0.5","","Omar bin Shawkataly; Chin-Ping Goh; Abu Tariq; Imthyaz Ahmad Khan; Hoong-Kun Fun; Mohd Mustaqim Rosli","Synthesis, Spectral Characterization and Crystals Structure of some Arsane Derivatives of Gold (I) Complexes: A Comparative Density Functional Theory Study","Plos One","2015","10","","e0119620","","10.1371/journal.pone.0119620","","","0.71073","MoKα","","0.0506","0.0375","","","0.0855","0.0911","","","","","","1.148","","","","has coordinates,has disorder","204687","2020-10-21","18:00:00",""
"1548584","17.4293","0.0004","14.8826","0.0004","11.5267","0.0003","90","","116.607","0.002","90","","2673.31","0.13","100","0.1","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2.2.4 bis(diphenylarsane)ethane bis[chloridogold(I)]","","- C26 H24 As2 Au2 Cl2 -","- C26 H24 As2 Au2 Cl2 -","- C104 H96 As8 Au8 Cl8 -","4","0.5","","Omar bin Shawkataly; Chin-Ping Goh; Abu Tariq; Imthyaz Ahmad Khan; Hoong-Kun Fun; Mohd Mustaqim Rosli","Synthesis, Spectral Characterization and Crystals Structure of some Arsane Derivatives of Gold (I) Complexes: A Comparative Density Functional Theory Study","Plos One","2015","10","","e0119620","","10.1371/journal.pone.0119620","","","0.71073","MoKα","","0.0398","0.028","","","0.0675","0.0728","","","","","","1.034","","","","has coordinates","204688","2020-10-21","18:00:00",""
"1548585","9.4715","0.0003","18.0504","0.0005","16.0002","0.0005","90","","96.461","0.001","90","","2718.09","0.14","100","0.1","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2.2.5 Chlorido(tris-naphthylarsane)gold(I)","","- C31 H23 As Au Cl3 -","- C31 H23 As Au Cl3 -","- C124 H92 As4 Au4 Cl12 -","4","1","","Omar bin Shawkataly; Chin-Ping Goh; Abu Tariq; Imthyaz Ahmad Khan; Hoong-Kun Fun; Mohd Mustaqim Rosli","Synthesis, Spectral Characterization and Crystals Structure of some Arsane Derivatives of Gold (I) Complexes: A Comparative Density Functional Theory Study","Plos One","2015","10","","e0119620","","10.1371/journal.pone.0119620","","","0.71073","MoKα","","0.0403","0.0287","","","0.0627","0.0665","","","","","","1.018","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1548688","15.307","0.003","7.9472","0.0016","24.715","0.005","90","","97.18","0.03","90","","2982.9","1.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 N O10 -","- C30 H25 N O12 -","- C120 H100 N4 O48 -","4","1","","Ling-Li Liu; Ying Xu; Zhuang Han; Yong-Xin Li; Liang Lu; Pok-Yui Lai; Jia-Liang Zhong; Xian-Rong Guo; Xi-Xiang Zhang; Pei-Yuan Qian","Four New Antibacterial Xanthones from the Marine-Derived Actinomycetes Streptomyces caelestis","Marine Drugs","2012","10","","2571","2583","10.3390/md10112571","","","1.54178","CuKα","","0.2947","0.2224","","","0.4653","0.5021","","","","","","1.848","","","","has coordinates,has disorder","205219","2020-10-21","18:00:00",""
"1548909","19.68","0.03","10.006","0.014","11.85","0.016","90","","101.871","0.016","90","","2284","6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 N2 O -","- C31 H20 N2 O -","- C124 H80 N8 O4 -","4","1","","Ghorai, Anupam; Mondal, Jahangir; Manna, Amit Kumar; Chowdhury, Shubhamoy; Patra, Goutam K.","A novel pyrene based highly selective reversible fluorescent-colorimetric sensor for the rapid detection of Cu2+ ions: application in bio-imaging","Analytical Methods","2018","10","9","1063","","10.1039/C8AY00097B","","","0.71073","MoKα","","0.3118","0.0838","","","0.1829","0.3095","","","","","","0.934","","","","has coordinates","227953","2020-10-21","18:00:00",""
"1549071","29.6903","0.0007","17.3784","0.0004","30.3868","0.0006","90","","110.373","0.0006","90","","14697.9","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C75 H175 Ag19 Au O24 P12 S24 -","- C75 H175 Ag18.9999 Au O24 P12 S24 -","- C300 H700 Ag75.9996 Au4 O96 P48 S96 -","4","1","","Lin, Yan-Ru; Kishore, Pilli V. V. N.; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W.","Synthesis, structural characterization and transformation of an eight-electron superatomic alloy, [Au@Ag<sub>19</sub>{S<sub>2</sub>P(OPr)<sub>2</sub>}<sub>12</sub>].","Nanoscale","2018","10","15","6855","6860","10.1039/c8nr00172c","","","0.71073","MoKα","","0.0574","0.0426","","","0.1012","0.1153","","","","","","1.033","","","","has coordinates,has disorder","230156","2020-10-21","18:00:00",""
"1549243","11.403","0.014","10.995","0.013","11.715","0.014","90","","100.143","0.017","90","","1446","3","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Co H12 Mo6 N4 O30 -","- Co H12 Mo6 N4 O30 -","- Co2 H24 Mo12 N8 O60 -","2","0.5","","Tang, Yu-Jia; Zhang, A-Man; Zhu, Hong-Jing; Dong, Long-Zhang; Wang, Xiao-Li; Li, Shun-Li; Han, Min; Xu, Xiang-Xin; Lan, Ya-Qian","Polyoxometalate precursors for precisely controlled synthesis of bimetallic sulfide heterostructure through nucleation-doping competition.","Nanoscale","2018","10","18","8404","8412","10.1039/c8nr00925b","","","0.71073","MoKα","","0.0768","0.0642","","","0.1523","0.1641","","","","","","1.14","","","","has coordinates","230157","2020-10-21","18:00:00",""
"1549390","27.4634","0.0006","27.4634","0.0006","46.6552","0.0016","90","","90","","120","","30474.7","1.4","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C159 H108 Ag29 N3 O10 P4 S24 -","- C159 H108 Ag29 N3 O10 P4 S24 -","- C954 H648 Ag174 N18 O60 P24 S144 -","6","0.333333","","Nag, Abhijit; Chakraborty, Papri; Bodiuzzaman, Mohammad; Ahuja, Tripti; Antharjanam, Sudhadevi; Pradeep, Thalappil","Polymorphism of Ag<sub>29</sub>(BDT)<sub>12</sub>(TPP)<sub>4</sub><sup>3-</sup> cluster: interactions of secondary ligands and their effect on solid state luminescence.","Nanoscale","2018","10","21","9851","9855","10.1039/c8nr02629g","","","1.54178","CuKα","","0.1609","0.0768","","","0.152","0.1907","","","","","","1.059","","","","has coordinates","230158","2020-10-21","18:00:00",""
"1549616","12.115","0.002","11.1281","0.0019","19.686","0.003","90","","106.472","0.002","90","","2545.1","0.7","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H23 N O -","- C37 H23 N O -","- C148 H92 N4 O4 -","4","1","","Wang, Sha-Sha; Rong, Rong; Jin, Ling-Zhi; Yang, Shan-Shan; Li, Yin-Xiang; Zhang, He; Xiong, Yu-Wei; Sun, Li-Tao; Cao, Hong-Tao; Xie, Ling-Hai; Huang, Wei","Variable segment roles: modulation of the packing modes, nanocrystal morphologies and optical emissions.","Nanoscale","2018","10","28","13310","13314","10.1039/c8nr02956c","","","0.71073","MoKα","","0.1427","0.0517","","","0.1136","0.1508","","","","","","0.926","","","","has coordinates","230148","2020-10-21","18:00:00",""
"1549617","9.4322","0.0009","16.5755","0.0016","16.9196","0.0015","90","","90.836","0.003","90","","2645","0.4","296","","295.67","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H23 N O -","- C37 H23 N O -","- C148 H92 N4 O4 -","4","1","","Wang, Sha-Sha; Rong, Rong; Jin, Ling-Zhi; Yang, Shan-Shan; Li, Yin-Xiang; Zhang, He; Xiong, Yu-Wei; Sun, Li-Tao; Cao, Hong-Tao; Xie, Ling-Hai; Huang, Wei","Variable segment roles: modulation of the packing modes, nanocrystal morphologies and optical emissions.","Nanoscale","2018","10","28","13310","13314","10.1039/c8nr02956c","","x-ray","0.71073","MoKα","","0.1151","0.0596","","","0.1297","0.1581","","","","","","1.028","","","","has coordinates","230148","2020-10-21","18:00:00",""
"1549618","8.581","0.002","9.167","0.002","17.575","0.004","89.893","0.006","79.223","0.007","70.216","0.006","1275.1","0.5","292","","291.64","","","","","","","","","4","P -1","-P 1","2","","","","- C37 H23 N O -","- C37 H23 N O -","- C74 H46 N2 O2 -","2","1","","Wang, Sha-Sha; Rong, Rong; Jin, Ling-Zhi; Yang, Shan-Shan; Li, Yin-Xiang; Zhang, He; Xiong, Yu-Wei; Sun, Li-Tao; Cao, Hong-Tao; Xie, Ling-Hai; Huang, Wei","Variable segment roles: modulation of the packing modes, nanocrystal morphologies and optical emissions.","Nanoscale","2018","10","28","13310","13314","10.1039/c8nr02956c","","x-ray","0.71073","MoKα","","0.0825","0.0496","","","0.1137","0.1316","","","","","","0.996","","","","has coordinates","230148","2020-10-21","18:00:00",""
"1549670","10.3695","0.0013","6.0922","0.0008","11.4055","0.0015","90","","98.355","0.002","90","","712.87","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C32 H32 N4 O8 -","2","0.5","","Dolai, Malay; Saha, Urmila; Das, Avijit Kumar; Suresh Kumar, Gopinatha","Single sensors for multiple analytes employing fluorometric differentiation for Cr3+ and Al3+ in semi-aqueous medium with bio-activity and theoretical aspects","Analytical Methods","2018","10","33","4063","","10.1039/C8AY01080C","","","0.71073","MoKα","","0.0437","0.0405","","","0.1134","0.1172","","","","","","1.048","","","","has coordinates","227952","2020-10-21","18:00:00",""
"1549680","22.4712","0.0007","22.4712","0.0007","62.0494","0.0018","90","","90","","120","","27134.4","1.4","120","2","120","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C288 H378 Cd24 Cl8 N16 O82 P6 S24 -","- C285 H306 Cd24 Cl8 N15 O81 P6 S24 -","- C855 H918 Cd72 Cl24 N45 O243 P18 S72 -","3","0.166667","","Shi, Cheng; Zhang, Min; Hang, Xinxin; Bi, Yanfeng; Huang, Liangliang; Zhou, Kun; Xu, Zhenhe; Zheng, Zhiping","Assembly of thiacalix[4]arene-supported high-nuclearity Cd24 cluster with enhanced photocatalytic activity.","Nanoscale","2018","10","30","14448","14454","10.1039/c8nr03474e","","","0.71073","MoKα","","0.0557","0.0491","","","0.1381","0.1435","","","","","","1.047","","","","has coordinates,has disorder","230155","2020-10-21","18:00:00",""
"1549681","32.799","0.0015","19.0653","0.0008","31.1251","0.0013","90","","114.228","0.002","90","","17748.9","1.4","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C88 H108 Cd4 N2 O11 S8 -","- C88 H88 Cd4 N2 O11 S8 -","- C704 H704 Cd32 N16 O88 S64 -","8","1","","Shi, Cheng; Zhang, Min; Hang, Xinxin; Bi, Yanfeng; Huang, Liangliang; Zhou, Kun; Xu, Zhenhe; Zheng, Zhiping","Assembly of thiacalix[4]arene-supported high-nuclearity Cd24 cluster with enhanced photocatalytic activity.","Nanoscale","2018","10","30","14448","14454","10.1039/c8nr03474e","","","0.71073","MoKα","","0.0609","0.0478","","","0.1308","0.1423","","","","","","1.024","","","","has coordinates,has disorder","230155","2020-10-21","18:00:00",""
"1549778","20.474","0.002","31.755","0.004","36.216","0.004","75.393","0.001","74.91","0.001","84.029","0.001","21981","4","100","","100","","","","","","","","Crystallized by slow evaporation of a DCM-Hexane solution of the cluster at low tempereture","7","P -1","-P 1","2","Au24Pd-biicosahedral","","","- C220 H194.5 Au24.01 Cl3 P10 Pd0.99 S5 -","- C220 H194.5 Au24.0115 Cl3 P10 Pd0.9885 S5 -","- C880 H778 Au96.046 Cl12 P40 Pd3.954 S20 -","4","2","","Nair, Lakshmi V.; Hossain, Sakiat; Takagi, Shunjiro; Imai, Yukari; Hu, Guoxiang; Wakayama, Shota; Kumar, Bharat; Kurashige, Wataru; Jiang, De-En; Negishi, Yuichi","Hetero-biicosahedral [Au<sub>24</sub>Pd(PPh<sub>3</sub>)<sub>10</sub>(SC<sub>2</sub>H<sub>4</sub>Ph)<sub>5</sub>Cl<sub>2</sub>]<sup>+</sup> nanocluster: selective synthesis and optical and electrochemical properties.","Nanoscale","2018","10","40","18969","18979","10.1039/c8nr04078h","","","0.71073","MoKα","","0.1148","0.0594","","","0.1158","0.1364","","","","","","1.049","","","","has coordinates,has disorder","230154","2020-10-21","18:00:00",""
"1549962","24.7983","0.0002","10.6757","0.0001","12.3066","0.0001","90","","101.737","0.001","90","","3189.92","0.05","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C34 H24 N4 O8 -","- C34 H24 N4 O8 -","- C136 H96 N16 O32 -","4","1","","Schierl, Christoph; Niazov-Elkan, Angelica; Shimon, Linda J. W.; Feldman, Yishay; Rybtchinski, Boris; Guldi, Dirk M.","Singlet fission in self-assembled PDI nanocrystals.","Nanoscale","2018","10","43","20147","20154","10.1039/c8nr04155e","","","1.54184","CuKα","","0.0835","0.0813","","","0.2421","0.2455","","","","","","1.075","","","","has coordinates,has disorder","230149","2020-10-21","18:00:00",""
"1549977","19.4375","0.0012","19.5121","0.0011","19.5367","0.0013","100.446","0.002","113.716","0.002","102.272","0.002","6327.2","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C192 H288 Ag51.08 O0 -","- C192 H288 Ag51.06 -","- C192 H288 Ag51.06 -","1","0.5","","Duan, Guang-Xiong; Tian, Lin; Wen, Jun-Bo; Li, Lan-Yun; Xie, Yun-Peng; Lu, Xing","An atomically precise all-tert-butylethynide-protected Ag<sub>51</sub> superatom nanocluster with color tunability.","Nanoscale","2018","10","40","18915","18919","10.1039/c8nr06399k","","","0.6525","synchrotron","","0.1575","0.1318","","","0.3098","0.3329","","","","","","1.045","","","","has coordinates,has disorder","230153","2020-10-21","18:00:00",""
"1550183","23.254","0.003","22.981","0.003","17.777","0.002","90","","98.488","0.004","90","","9396","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H67 In2 N7 O16 -","- C78 H67 In2 N7 O16 -","- C312 H268 In8 N28 O64 -","4","0.5","","Maka, Vijay Kumar; Mukhopadhyay, Arindam; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Fluorescent 2D metal-organic framework nanosheets (MONs): design, synthesis and sensing of explosive nitroaromatic compounds (NACs).","Nanoscale","2018","10","47","22389","22399","10.1039/c8nr04992k","","","0.71073","MoKα","","0.1509","0.0883","","","0.2638","0.3074","","","","","","1.034","","","","has coordinates","230151","2020-10-21","18:00:00",""
"1550201","10.299","0.001","15.4938","0.0016","17.3672","0.0017","90","","90","","90","","2771.3","0.5","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 N Sc Si2 -","- C27 H36 N Sc Si2 -","- C108 H144 N4 Sc4 Si8 -","4","1","","Liu, Bo; Wang, Lingfang; Wu, Chunji; Cui, Dongmei","Sequence-controlled ethylene/styrene copolymerization catalyzed by scandium complexes","Polymer Chemistry","2019","10","2","235","","10.1039/C8PY01326H","","","0.71073","MoKα","","0.1635","0.0854","","","0.1198","0.145","","","","","","1.034","","","","has coordinates","225340","2020-10-21","18:00:00",""
"1550218","10.066","0.002","11.5","0.002","12.806","0.003","67.91","0.03","88.31","0.03","67.8","0.03","1260.8","0.6","210","2","210","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H36 D24 Mo2 O12 S4 -","- C44 H36 D24 Mo2 O12 S4 -","- C44 H36 D24 Mo2 O12 S4 -","1","0.5","","Knöfel, Nicolai D.; Rothfuss, Hannah; Barner-Kowollik, Christopher; Roesky, Peter W.","M24+ paddlewheel clusters as junction points in single-chain nanoparticles","Polymer Chemistry","2019","10","1","86","","10.1039/C8PY01486H","","x-ray","0.71073","MoKα","","0.0311","0.0257","","","0.0632","0.0642","","","","","","0.965","","","","has coordinates,has disorder","225336","2020-10-21","18:00:00",""
"1550219","14.0648","0.0004","22.4851","0.0005","15.6445","0.0003","90","","90","","90","","4947.5","0.2","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C44 H60 Cu2 O12 S4 -","- C44 H60 Cu2 O12 S4 -","- C176 H240 Cu8 O48 S16 -","4","1","","Knöfel, Nicolai D.; Rothfuss, Hannah; Barner-Kowollik, Christopher; Roesky, Peter W.","M24+ paddlewheel clusters as junction points in single-chain nanoparticles","Polymer Chemistry","2019","10","1","86","","10.1039/C8PY01486H","","x-ray","0.71073","MoKα","","0.0712","0.0509","","","0.1164","0.1256","","","","","","1.021","","","","has coordinates","225336","2020-10-21","18:00:00",""
"1550315","20.901","0.004","21.475","0.004","22.535","0.005","95.04","0.03","114.57","0.03","117.69","0.03","7633","5","400","2","400","2","","","","","","","","6","P -1","-P 1","2","","","","- C276 H200 Ag44 F30 P4 S30 -","- C276 H200 Ag44 F30 P4 S30 -","- C276 H200 Ag44 F30 P4 S30 -","1","0.5","","Dell'Elce, Simone; Liscio, Fabiola; Kovtun, Alessandro; Allegri, Stefano; Roscioni, Otello M.; Albonetti, Cristiano; De Luca, Giovanna; Amenitsch, Heinz W.; Demitri, Nicola; Giorgini, Loris; Morandi, Vittorio; Stellacci, Francesco; Liscio, Andrea; Palermo, Vincenzo","3D to 2D reorganization of silver-thiol nanostructures, triggered by solvent vapor annealing.","Nanoscale","2018","10","48","23018","23026","10.1039/c8nr07109h","","","0.7","Synchrotron","","0.125","0.0773","","","0.2195","0.2602","","","","","","1.06","","","","has coordinates","230152","2020-10-21","18:00:00",""
"1550316","20.4051","0.0004","20.8665","0.0004","21.9791","0.0004","114.956","0.002","93.756","0.002","116.423","0.002","7219.1","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C276 H200 Ag44 F30 P4 S30 -","- C276 H200 Ag44 F30 P4 S30 -","- C276 H200 Ag44 F30 P4 S30 -","1","0.5","","Dell'Elce, Simone; Liscio, Fabiola; Kovtun, Alessandro; Allegri, Stefano; Roscioni, Otello M.; Albonetti, Cristiano; De Luca, Giovanna; Amenitsch, Heinz W.; Demitri, Nicola; Giorgini, Loris; Morandi, Vittorio; Stellacci, Francesco; Liscio, Andrea; Palermo, Vincenzo","3D to 2D reorganization of silver-thiol nanostructures, triggered by solvent vapor annealing.","Nanoscale","2018","10","48","23018","23026","10.1039/c8nr07109h","","","0.70848","Synchrotron","","0.088","0.0585","","","0.1333","0.1459","","","","","","1.029","","","","has coordinates,has disorder","230152","2020-10-21","18:00:00",""
"1550337","22.6855","0.0008","22.6855","0.0008","10.7563","0.0007","90","","90","","120","","4793.9","0.4","185","2","185","2","","","","","","","","6","P 65","P 65","170","","","","- C31 H38 Cl2 O5 P S -","- C31 H39 Cl2 O5 P S -","- C186 H234 Cl12 O30 P6 S6 -","6","1","","Xia, Jian; Zhang, Yixin; Hu, Xiaoqiang; Ma, Xin; Cui, Lei; Zhang, Jianfu; Jian, Zhongbao","Sterically very bulky aliphatic/aromatic phosphine-sulfonate palladium catalysts for ethylene polymerization and copolymerization with polar monomers","Polymer Chemistry","2019","10","4","546","","10.1039/C8PY01568F","","","0.71073","MoKα","","0.0623","0.0514","","","0.1419","0.1592","","","","","","0.934","","","","has coordinates","225338","2020-10-21","18:00:00",""
"1550338","9.1697","0.0006","9.5203","0.0006","36.333","0.002","90","","90","","90","","3171.8","0.3","185","2","185","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C34 H38 F2 N O3 P Pd S -","- C34 H38 F2 N O3 P Pd S -","- C136 H152 F8 N4 O12 P4 Pd4 S4 -","4","1","","Xia, Jian; Zhang, Yixin; Hu, Xiaoqiang; Ma, Xin; Cui, Lei; Zhang, Jianfu; Jian, Zhongbao","Sterically very bulky aliphatic/aromatic phosphine-sulfonate palladium catalysts for ethylene polymerization and copolymerization with polar monomers","Polymer Chemistry","2019","10","4","546","","10.1039/C8PY01568F","","","0.71073","MoKα","","0.0662","0.0468","","","0.0837","0.0898","","","","","","0.964","","","","has coordinates","225338","2020-10-21","18:00:00",""
"1550360","12.1981","0.0001","26.7517","0.0001","21.8243","0.0001","90","","98.026","0.001","90","","7051.95","0.07","100","0.1","100","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C77 H76 B Cl6 F4 O2 Os P3 -","- C77 H76 B Cl6 F4 O2 Os P3 -","- C308 H304 B4 Cl24 F16 O8 Os4 P12 -","4","1","","Zhang, Huan; Zhao, Haibo; Zhuo, Kaiyue; Hua, Yuhui; Chen, Jiangxi; He, Xumin; Weng, Wengui; Xia, Haiping","“Carbolong” polymers with near infrared triggered, spatially resolved and rapid self-healing properties","Polymer Chemistry","2019","10","3","386","","10.1039/C8PY01482E","","x-ray","1.54184","CuKα","","0.0461","0.0442","","","0.1205","0.1224","","","","","","1.038","","","","has coordinates","225352","2020-10-21","18:00:00",""
"1550401","13.861","0.005","15.962","0.006","17.258","0.006","69.871","0.006","75.157","0.006","81.221","0.007","3457","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C77 H66 Cl2 N10 O12 -","- C77 H68 Cl2 N10 O12 -","- C154 H136 Cl4 N20 O24 -","2","1","","Chen, Huaiyu; Huang, Chao; Ding, Yazhou; Zhang, Qi-Long; Zhu, Bi-Xue; Ni, Xin-Long","Organic core‒shell-shaped micro/nanoparticles from twisted macrocycles in Schiff base reaction","Chemical Science","2019","10","2","490","","10.1039/C8SC03824D","","","0.71073","MoKα","","0.2728","0.0749","","","0.1296","0.1799","","","","","","0.804","","","","has coordinates","212907","2020-10-21","18:00:00",""
"1550402","7.804","0.002","11.72","0.003","13.252","0.004","90","","94.565","0.005","90","","1208.2","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 O4 -","- C15 H12 O4 -","- C60 H48 O16 -","4","1","","Chen, Huaiyu; Huang, Chao; Ding, Yazhou; Zhang, Qi-Long; Zhu, Bi-Xue; Ni, Xin-Long","Organic core‒shell-shaped micro/nanoparticles from twisted macrocycles in Schiff base reaction","Chemical Science","2019","10","2","490","","10.1039/C8SC03824D","","","0.71073","MoKα","","0.0671","0.0481","","","0.1267","0.1354","","","","","","1.087","","","","has coordinates","212907","2020-10-21","18:00:00",""
"1550506","11.6286","0.0001","14.8501","0.0001","14.9589","0.0001","90","","99.332","0.001","90","","2549","0.03","150","2","150","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H36 Cl2 Si Zr -","- C26 H36 Cl2 Si Zr -","- C104 H144 Cl8 Si4 Zr4 -","4","1","","Lamb, Jessica V.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","Group 4 permethylindenyl complexes for slurry-phase polymerisation of ethylene","Polymer Chemistry","2019","10","11","1386","","10.1039/C8PY01796D","","x-ray","1.54184","CuKα","","0.0239","0.0213","","","0.0528","0.0546","","","","","","1.027","","","","has coordinates","225351","2020-10-21","18:00:00",""
"1550507","52.0095","0.0012","19.2685","0.0005","8.6866","0.0002","90","","90","","90","","8705.2","0.4","150","2","150.01","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C22 H28 Br2 Si Zr -","- C22 H28 Br2 Si Zr -","- C352 H448 Br32 Si16 Zr16 -","16","1","","Lamb, Jessica V.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","Group 4 permethylindenyl complexes for slurry-phase polymerisation of ethylene","Polymer Chemistry","2019","10","11","1386","","10.1039/C8PY01796D","","x-ray","1.54184","CuKα","","0.0229","0.0227","","","0.0574","0.0575","","","","","","1.029","","","","has coordinates","225351","2020-10-21","18:00:00",""
"1550508","8.7586","0.0002","11.3702","0.0003","14.6917","0.0004","104.583","0.002","94.052","0.002","103.622","0.002","1362.94","0.06","150","2","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H36 Cl2 Si Zr -","- C26 H36 Cl2 Si Zr -","- C52 H72 Cl4 Si2 Zr2 -","2","1","","Lamb, Jessica V.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","Group 4 permethylindenyl complexes for slurry-phase polymerisation of ethylene","Polymer Chemistry","2019","10","11","1386","","10.1039/C8PY01796D","","x-ray","1.54184","CuKα","","0.0245","0.0218","","","0.0545","0.0564","","","","","","1.053","","","","has coordinates","225351","2020-10-21","18:00:00",""
"1550509","52.131","0.0014","19.346","0.0005","8.7251","0.0003","90","","90","","90","","8799.5","0.4","150","2","150.01","0.16","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C24 H34 Si Zr -","- C24 H34 Si Zr -","- C384 H544 Si16 Zr16 -","16","1","","Lamb, Jessica V.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","Group 4 permethylindenyl complexes for slurry-phase polymerisation of ethylene","Polymer Chemistry","2019","10","11","1386","","10.1039/C8PY01796D","","x-ray","1.54184","CuKα","","0.0185","0.0181","","","0.0417","0.0421","","","","","","1.052","","","","has coordinates","225351","2020-10-21","18:00:00",""
"1550510","12.4776","0.0006","14.8663","0.0012","17.9117","0.0005","100.463","0.005","101.218","0.004","105.208","0.006","3048.5","0.3","150","2","149.9","0.3","","","","","","","","4","P -1","-P 1","2","","","","- C36 H42 Si Zr -","- C36 H42 Si Zr -","- C144 H168 Si4 Zr4 -","4","2","","Lamb, Jessica V.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","Group 4 permethylindenyl complexes for slurry-phase polymerisation of ethylene","Polymer Chemistry","2019","10","11","1386","","10.1039/C8PY01796D","","x-ray","1.54184","CuKα","","0.1746","0.1518","","","0.3524","0.3705","","","","","","1.484","","","","has coordinates","225351","2020-10-21","18:00:00",""
"1550621","12.427","0.002","12.068","0.003","11.6342","0.0017","90","","92.622","0.009","90","","1742.9","0.6","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H20 B10 S2 -","- C11 H20 B10 S2 -","- C44 H80 B40 S8 -","4","1","","Messina, Marco S.; Graefe, Christian T.; Chong, Paul; Ebrahim, Omar M.; Pathuri, Ramya S.; Bernier, Nicholas A.; Mills, Harrison A.; Rheingold, Arnold L.; Frontiera, Renee R.; Maynard, Heather D.; Spokoyny, Alexander M.","Carborane RAFT agents as tunable and functional molecular probes for polymer materials","Polymer Chemistry","2019","10","13","1660","","10.1039/C9PY00199A","","x-ray","0.71073","MoKα","","0.1578","0.0868","","","0.211","0.2405","","","","","","1.049","","","","has coordinates,has disorder","225344","2020-10-21","18:00:00",""
"1550751","24.7912","0.0003","24.7912","0.0003","31.0121","0.0006","90","","90","","90","","19060.1","0.5","149.97","0.1","149.97","0.1","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C49 H63 Cl N2 Pd -","- C49 H63 Cl N2 Pd -","- C784 H1008 Cl16 N32 Pd16 -","16","1","","Du, Cheng; Zhong, Liu; Gao, Jie; Zhong, Shuhuang; Liao, Heng; Gao, Haiyang; Wu, Qing","Living (co)polymerization of ethylene and bio-based furfuryl acrylate using dibenzobarrelene derived α-diimine palladium catalysts","Polymer Chemistry","2019","10","16","2029","","10.1039/C9PY00126C","","x-ray","1.54178","CuKα","","0.047","0.041","","","0.1008","0.1063","","","","","","1.067","","","","has coordinates,has disorder","288248","2023-12-12","12:55:26",""
"1550752","27.646","0.002","21.9906","0.0011","25.7467","0.0016","90","","90.474","0.007","90","","15652.2","1.7","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C81 H65 B F24 N2 O3 Pd -","- C80.75 H62.6 B F23.875 N2 O2.75 Pd -","- C646 H500.8 B8 F191 N16 O22 Pd8 -","8","2","","Du, Cheng; Zhong, Liu; Gao, Jie; Zhong, Shuhuang; Liao, Heng; Gao, Haiyang; Wu, Qing","Living (co)polymerization of ethylene and bio-based furfuryl acrylate using dibenzobarrelene derived α-diimine palladium catalysts","Polymer Chemistry","2019","10","16","2029","","10.1039/C9PY00126C","","x-ray","0.71073","MoKα","","0.1423","0.0839","","","0.2007","0.2461","","","","","","1.01","","","","has coordinates,has disorder","225341","2020-10-21","18:00:00",""
"1550779","9.526","0.0006","10.7198","0.0007","31.5458","0.0018","98.765","0.005","90.68","0.005","106.033","0.006","3055","0.3","100.01","0.1","100.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C43 H31 N -","- C43 H31 N -","- C172 H124 N4 -","4","2","","Huang, Zengfang; Wang, Runze; Chen, Yali; Liu, Xiaobo; Wang, Ke; Mao, Liucheng; Wang, Ke; Yuan, Jinying; Zhang, Xiaoyong; Tao, Lei; Wei, Yen","A polymerizable aggregation-induced emission dye for fluorescent nanoparticles: synthesis, molecular structure and application in cell imaging","Polymer Chemistry","2019","10","17","2162","","10.1039/C9PY00175A","","x-ray","1.54184","CuKα","","0.0885","0.0843","","","0.295","0.2202","","","","","","1.069","","","","has coordinates","225339","2020-10-21","18:00:00",""
"1550799","10.3571","0.0004","12.8862","0.0006","35.6573","0.0014","90","","96.839","0.002","90","","4725.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H56 Br4 N2 O8 Zr2 -","- C38 H56 Br4 N2 O8 Zr2 -","- C152 H224 Br16 N8 O32 Zr8 -","4","1","","Mandal, Mrinmay; Ramkumar, Venkatachalam; Chakraborty, Debashis","Salen complexes of zirconium and hafnium: synthesis, structural characterization and polymerization studies","Polymer Chemistry","2019","10","25","3444","","10.1039/C8PY01750F","","","0.71073","MoKα","","0.1106","0.083","","","0.1658","0.1752","","","","","","1.169","","","","has coordinates","225342","2020-10-21","18:00:00",""
"1550800","11.3471","0.0002","11.3471","0.0002","16.1552","0.0005","90","","90","","90","","2080.09","0.08","298","2","298","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C40 H32 Cl8 Hf N4 O4 -","- C40 H32 Cl8 Hf N4 O4 -","- C80 H64 Cl16 Hf2 N8 O8 -","2","0.25","","Mandal, Mrinmay; Ramkumar, Venkatachalam; Chakraborty, Debashis","Salen complexes of zirconium and hafnium: synthesis, structural characterization and polymerization studies","Polymer Chemistry","2019","10","25","3444","","10.1039/C8PY01750F","","","0.71073","MoKα","","0.0301","0.0218","","","0.0713","0.0835","","","","","","0.65","","","","has coordinates","225342","2020-10-21","18:00:00",""
"1550801","20.4732","0.0006","12.5483","0.0004","13.5794","0.0004","90","","105.461","0.001","90","","3362.36","0.18","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H20 Cl8 N4 O4 Zr -","- C32 H20 Cl8 N4 O4 Zr -","- C128 H80 Cl32 N16 O16 Zr4 -","4","1","","Mandal, Mrinmay; Ramkumar, Venkatachalam; Chakraborty, Debashis","Salen complexes of zirconium and hafnium: synthesis, structural characterization and polymerization studies","Polymer Chemistry","2019","10","25","3444","","10.1039/C8PY01750F","","","0.71073","MoKα","","0.0356","0.0255","","","0.0558","0.0608","","","","","","1.049","","","","has coordinates","225342","2020-10-21","18:00:00",""
"1550802","10.4865","0.0003","30.3069","0.0008","19.5427","0.0005","90","","101.042","0.001","90","","6095.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H96 N2 O8 Zr2 -","- C57 H96 N2 O8 Zr2 -","- C228 H384 N8 O32 Zr8 -","4","1","","Mandal, Mrinmay; Ramkumar, Venkatachalam; Chakraborty, Debashis","Salen complexes of zirconium and hafnium: synthesis, structural characterization and polymerization studies","Polymer Chemistry","2019","10","25","3444","","10.1039/C8PY01750F","","","0.71073","MoKα","","0.0457","0.0344","","","0.1127","0.1255","","","","","","0.954","","","","has coordinates","225342","2020-10-21","18:00:00",""
"1550803","11.9424","0.0004","25.805","0.001","11.3456","0.0003","90","","111.279","0.001","90","","3258.04","0.19","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 Br4 Hf N2 O4 -","- C28 H32 Br4 Hf N2 O4 -","- C112 H128 Br16 Hf4 N8 O16 -","4","1","","Mandal, Mrinmay; Ramkumar, Venkatachalam; Chakraborty, Debashis","Salen complexes of zirconium and hafnium: synthesis, structural characterization and polymerization studies","Polymer Chemistry","2019","10","25","3444","","10.1039/C8PY01750F","","","0.71073","MoKα","","0.072","0.0379","","","0.0663","0.0747","","","","","","1.013","","","","has coordinates","225342","2020-10-21","18:00:00",""
"1550804","26.427","0.003","46.619","0.005","12.8792","0.0011","90","","90","","90","","15867","3","173","2","173","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C40 H28 Cl8 N4 O4 Zr -","- C40 H28 Cl8 N4 O4 Zr -","- C640 H448 Cl128 N64 O64 Zr16 -","16","1","","Mandal, Mrinmay; Ramkumar, Venkatachalam; Chakraborty, Debashis","Salen complexes of zirconium and hafnium: synthesis, structural characterization and polymerization studies","Polymer Chemistry","2019","10","25","3444","","10.1039/C8PY01750F","","","0.71073","MoKα","","0.0691","0.0455","","","0.101","0.1134","","","","","","1.024","","","","has coordinates","225342","2020-10-21","18:00:00",""
"1550817","20.2607","0.0002","20.6711","0.0002","26.2425","0.0003","109.714","0.001","100.1","0.001","109.009","0.001","9266.3","0.2","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C194 H412 Ag84 O90 S42 W14 -","- C194 H412 Ag84 O90 S42 W14 -","- C194 H412 Ag84 O90 S42 W14 -","1","0.5","","Wang, Zhi; Sun, Hao-Tian; Kurmoo, Mohamedally; Liu, Qing-Yun; Zhuang, Gui-Lin; Zhao, Quan-Qin; Wang, Xing-Po; Tung, Chen-Ho; Sun, Di","Carboxylic acid stimulated silver shell isomerism in a triple core–shell Ag <sub>84</sub> nanocluster","Chemical Science","2019","10","18","4862","4867","10.1039/C8SC05666H","","x-ray","0.71073","MoKα","","0.0637","0.0578","","","0.1548","0.1596","","","","","","1.041","","","","has coordinates,has disorder","282777","2023-04-20","11:56:51",""
"1550818","21.5617","0.0011","22.2473","0.001","24.5285","0.0013","74.1307","0.0013","70.9758","0.0013","68.5642","0.0017","10193.5","0.9","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C246 H370 Ag84 O88 S42 W14 -","- C246 H370 Ag84 O88 S42 W14 -","- C246 H370 Ag84 O88 S42 W14 -","1","0.5","","Wang, Zhi; Sun, Hao-Tian; Kurmoo, Mohamedally; Liu, Qing-Yun; Zhuang, Gui-Lin; Zhao, Quan-Qin; Wang, Xing-Po; Tung, Chen-Ho; Sun, Di","Carboxylic acid stimulated silver shell isomerism in a triple core–shell Ag <sub>84</sub> nanocluster","Chemical Science","2019","10","18","4862","4867","10.1039/C8SC05666H","","","0.68877","","","0.0975","0.0752","","","0.169","0.1919","","","","","","1.027","","","","has coordinates,has disorder","282777","2023-04-20","11:56:51",""
"1550850","10.8935","0.0009","9.2955","0.0007","20.3854","0.0017","90","","98.385","0.003","90","","2042.2","0.3","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 B Cl2 N -","- C20 H31 B Cl2 N -","- C80 H124 B4 Cl8 N4 -","4","1","","Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger","Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes","Chemical Science","2019","10","19","5095","5103","10.1039/C9SC01039D","","","0.71073","MoKα","","0.0586","0.0433","","","0.1022","0.1098","","","","","","1.044","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550851","9.1887","0.0011","11.6671","0.0016","18.914","0.003","78.726","0.005","77.377","0.004","88.791","0.004","1940","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43.5 H67 B N2 -","- C43.5 H67 B N2 -","- C87 H134 B2 N4 -","2","1","","Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger","Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes","Chemical Science","2019","10","19","5095","5103","10.1039/C9SC01039D","","","0.71073","MoKα","","0.0802","0.0541","","","0.1266","0.1427","","","","","","1.009","","","","has coordinates,has disorder","282777","2023-04-20","11:56:51",""
"1550852","15.725","0.002","10.7595","0.0014","17.237","0.003","90","","117.084","0.006","90","","2596.6","0.7","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H46 B Cl N P -","- C26 H46 B Cl N P -","- C104 H184 B4 Cl4 N4 P4 -","4","1","","Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger","Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes","Chemical Science","2019","10","19","5095","5103","10.1039/C9SC01039D","","","0.71073","MoKα","","0.0712","0.0482","","","0.1096","0.1253","","","","","","1.018","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550853","12.5496","0.0012","16.2449","0.0016","18.6655","0.0018","90","","103.896","0.003","90","","3693.9","0.6","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H55 B Cl N3 -","- C41 H55 B Cl N3 -","- C164 H220 B4 Cl4 N12 -","4","2","","Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger","Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes","Chemical Science","2019","10","19","5095","5103","10.1039/C9SC01039D","","","0.71073","MoKα","","0.1154","0.0607","","","0.0933","0.108","","","","","","0.976","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550854","12.9399","0.0013","14.8972","0.0014","21.64","0.002","90","","98.624","0.003","90","","4124.3","0.7","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H70 B Cl N2 -","- C47 H70 B Cl N2 -","- C188 H280 B4 Cl4 N8 -","4","0.5","","Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger","Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes","Chemical Science","2019","10","19","5095","5103","10.1039/C9SC01039D","","","0.71073","MoKα","","0.0746","0.044","","","0.0917","0.1051","","","","","","1.035","","","","has coordinates,has disorder","282777","2023-04-20","11:56:51",""
"1550855","9.5037","0.0005","10.6623","0.0005","14.192","0.0006","109.04","0.002","92.35","0.003","116.165","0.002","1190.8","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H40 B Cl N P -","- C23 H40 B Cl N P -","- C46 H80 B2 Cl2 N2 P2 -","2","1","","Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger","Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes","Chemical Science","2019","10","19","5095","5103","10.1039/C9SC01039D","","","0.71073","MoKα","","0.059","0.0417","","","0.1033","0.1114","","","","","","1.062","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550856","9.1055","0.0016","10.5101","0.0019","13.919","0.003","87.33","0.004","88.935","0.004","77.336","0.005","1298.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H43 B Cl N3 -","- C27 H43 B Cl N3 -","- C54 H86 B2 Cl2 N6 -","2","1","","Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger","Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes","Chemical Science","2019","10","19","5095","5103","10.1039/C9SC01039D","","","0.71073","MoKα","","0.0814","0.052","","","0.117","0.1337","","","","","","1.024","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550857","11.7584","0.0009","20.9712","0.0015","19.9511","0.0014","90","","90.364","0.004","90","","4919.6","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H79 B Li N3 O3 -","- C53 H79 B Li N3 O3 -","- C212 H316 B4 Li4 N12 O12 -","4","1","","Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger","Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes","Chemical Science","2019","10","19","5095","5103","10.1039/C9SC01039D","","","0.71073","MoKα","","0.1482","0.0701","","","0.1441","0.1695","","","","","","1.024","","","","has coordinates,has disorder","282777","2023-04-20","11:56:51",""
"1550858","22.7921","0.0016","17.8985","0.0011","14.2655","0.0011","90","","105.321","0.002","90","","5612.7","0.7","103","2","103","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H34 B Cl2 K N S0.5 -","- C21 H34 B Cl2 K N S0.5 -","- C168 H272 B8 Cl16 K8 N8 S4 -","8","1","","Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger","Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes","Chemical Science","2019","10","19","5095","5103","10.1039/C9SC01039D","","","0.71073","MoKα","","0.0679","0.0473","","","0.1177","0.1285","","","","","","1.032","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550859","10.8472","0.001","11.1775","0.001","18.8985","0.0016","79.591","0.004","76.738","0.004","71.31","0.004","2098.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H57 B Cl N3 -","- C41 H57 B Cl N3 -","- C82 H114 B2 Cl2 N6 -","2","1","","Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger","Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes","Chemical Science","2019","10","19","5095","5103","10.1039/C9SC01039D","","","0.71073","MoKα","","0.0936","0.0561","","","0.1377","0.1566","","","","","","1.034","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550860","16.2908","0.0006","8.818","0.0002","16.4186","0.0006","90","","118.727","0.001","90","","2068.28","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 B Cl3 N -","- C20 H31 B Cl3 N -","- C80 H124 B4 Cl12 N4 -","4","1","","Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger","Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes","Chemical Science","2019","10","19","5095","5103","10.1039/C9SC01039D","","","0.71073","MoKα","","0.0354","0.0282","","","0.0642","0.0676","","","","","","1.038","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550861","27.0965","0.0009","11.3646","0.0004","37.7243","0.0013","90","","90.738","0.002","90","","11615.9","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H87 B Li N3 O6 -","- C53 H87 B Li N3 O6 -","- C424 H696 B8 Li8 N24 O48 -","8","2","","Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger","Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes","Chemical Science","2019","10","19","5095","5103","10.1039/C9SC01039D","","","0.71073","MoKα","","0.1018","0.0692","","","0.169","0.1913","","","","","","1.022","","","","has coordinates,has disorder","282777","2023-04-20","11:56:51",""
"1550872","9.37","0.0019","31.24","0.006","15.94","0.003","90","","91.6","0.03","90","","4664.1","1.6","110","","110","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H29 N2 P -","- C28 H29 N2 P -","- C224 H232 N16 P8 -","8","4","","Feuerstein, Thomas J.; Goswami, Bhupendra; Rauthe, Pascal; Köppe, Ralf; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.","Alkali metal complexes of an enantiopure iminophosphonamide ligand with bright delayed fluorescence","Chemical Science","2019","10","18","4742","4749","10.1039/C9SC00629J","","","0.71073","MoKα","","0.0591","0.04","","","0.0702","0.075","","","","","","0.76","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550873","12.359","0.003","13.352","0.003","30.833","0.006","90","","90","","90","","5088","2","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H56 N4 P2 Rb2 -","- C56 H56 N4 P2 Rb2 -","- C224 H224 N16 P8 Rb8 -","4","1","","Feuerstein, Thomas J.; Goswami, Bhupendra; Rauthe, Pascal; Köppe, Ralf; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.","Alkali metal complexes of an enantiopure iminophosphonamide ligand with bright delayed fluorescence","Chemical Science","2019","10","18","4742","4749","10.1039/C9SC00629J","","","0.71073","MoKα","","0.0439","0.0306","","","0.0573","0.0604","","","","","","1.021","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550874","11.854","0.002","18.092","0.004","12.986","0.003","90","","116.13","0.03","90","","2500.4","1.1","210","","210","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C56 H56 N4 Na2 P2 -","- C56 H56 N4 Na2 P2 -","- C112 H112 N8 Na4 P4 -","2","1","","Feuerstein, Thomas J.; Goswami, Bhupendra; Rauthe, Pascal; Köppe, Ralf; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.","Alkali metal complexes of an enantiopure iminophosphonamide ligand with bright delayed fluorescence","Chemical Science","2019","10","18","4742","4749","10.1039/C9SC00629J","","","0.71073","MoKα","","0.1177","0.0576","","","0.0587","0.0696","","","","","","0.83","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550875","12.481","0.003","13.11","0.003","30.547","0.006","90","","90","","90","","4998.3","1.9","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H56 K2 N4 P2 -","- C56 H56 K2 N4 P2 -","- C224 H224 K8 N16 P8 -","4","1","","Feuerstein, Thomas J.; Goswami, Bhupendra; Rauthe, Pascal; Köppe, Ralf; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.","Alkali metal complexes of an enantiopure iminophosphonamide ligand with bright delayed fluorescence","Chemical Science","2019","10","18","4742","4749","10.1039/C9SC00629J","","","0.71073","MoKα","","0.0332","0.0305","","","0.0789","0.0802","","","","","","1.044","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550876","12.7","0.003","12.756","0.003","43.4","0.009","81.58","0.03","88.39","0.03","60.36","0.03","6037","3","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C56 H56 Li2 N4 P2 -","- C56 H56 Li2 N4 P2 -","- C280 H280 Li10 N20 P10 -","5","5","","Feuerstein, Thomas J.; Goswami, Bhupendra; Rauthe, Pascal; Köppe, Ralf; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.","Alkali metal complexes of an enantiopure iminophosphonamide ligand with bright delayed fluorescence","Chemical Science","2019","10","18","4742","4749","10.1039/C9SC00629J","","","0.71073","MoKα","","0.0594","0.037","","","0.0759","0.0817","","","","","","0.962","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550877","13.693","0.003","17.008","0.003","32.906","0.007","90","","90","","90","","7663","3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C84 H84 Cs3 N6 P3 -","- C84 H84 Cs3 N6 P3 -","- C336 H336 Cs12 N24 P12 -","4","1","","Feuerstein, Thomas J.; Goswami, Bhupendra; Rauthe, Pascal; Köppe, Ralf; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.","Alkali metal complexes of an enantiopure iminophosphonamide ligand with bright delayed fluorescence","Chemical Science","2019","10","18","4742","4749","10.1039/C9SC00629J","","","0.71073","MoKα","","0.045","0.0413","","","0.1105","0.113","","","","","","1.039","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550892","29.408","0.002","9.1919","0.0006","15.9885","0.0011","90","","121.592","0.0012","90","","3681.4","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H36 Br2 N2 Ni -","- C42 H36 Br2 N2 Ni -","- C168 H144 Br8 N8 Ni4 -","4","0.5","","Ma, Xin; Hu, Xiaoqiang; Zhang, Yixin; Mu, Hongliang; Cui, Lei; Jian, Zhongbao","Preparation and in situ chain-end-functionalization of branched ethylene oligomers by monosubstituted α-diimine nickel catalysts","Polymer Chemistry","2019","10","20","2596","","10.1039/C9PY00433E","","","0.71073","MoKα","","0.0499","0.0354","","","0.0915","0.0984","","","","","","0.979","","","","has coordinates","225343","2020-10-21","18:00:00",""
"1550893","14.876","0.0012","16.4609","0.0014","20.3155","0.0017","98.53","0.002","99.278","0.002","116.092","0.001","4272.3","0.6","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C50.5 H37.5 Cl1.5 N2 Pd -","- C50.5 H37.5 Cl1.5 N2 Pd -","- C202 H150 Cl6 N8 Pd4 -","4","2","","Ma, Xin; Hu, Xiaoqiang; Zhang, Yixin; Mu, Hongliang; Cui, Lei; Jian, Zhongbao","Preparation and in situ chain-end-functionalization of branched ethylene oligomers by monosubstituted α-diimine nickel catalysts","Polymer Chemistry","2019","10","20","2596","","10.1039/C9PY00433E","","","0.71073","MoKα","","0.0829","0.0611","","","0.1638","0.1798","","","","","","1.115","","","","has coordinates","225343","2020-10-21","18:00:00",""
"1550894","10.8539","0.0006","25.0242","0.0015","15.6817","0.0009","90","","100.3","0.001","90","","4190.7","0.4","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H37 Br2 N2 Ni -","- C50 H37 Br2 N2 Ni -","- C200 H148 Br8 N8 Ni4 -","4","1","","Ma, Xin; Hu, Xiaoqiang; Zhang, Yixin; Mu, Hongliang; Cui, Lei; Jian, Zhongbao","Preparation and in situ chain-end-functionalization of branched ethylene oligomers by monosubstituted α-diimine nickel catalysts","Polymer Chemistry","2019","10","20","2596","","10.1039/C9PY00433E","","","0.71073","MoKα","","0.0748","0.0431","","","0.0936","0.1043","","","","","","0.911","","","","has coordinates","225343","2020-10-21","18:00:00",""
"1550895","22.26","","22.2598","0.0005","25.7392","0.0005","90","","90","","90","","12753.9","0.4","185","2","185","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C55 H63 Cl N2 O12 Pd -","- C55 H63 Cl N2 O12 Pd -","- C440 H504 Cl8 N16 O96 Pd8 -","8","1","","Ma, Xin; Hu, Xiaoqiang; Zhang, Yixin; Mu, Hongliang; Cui, Lei; Jian, Zhongbao","Preparation and in situ chain-end-functionalization of branched ethylene oligomers by monosubstituted α-diimine nickel catalysts","Polymer Chemistry","2019","10","20","2596","","10.1039/C9PY00433E","","","0.71073","MoKα","","0.1528","0.0641","","","0.1572","0.1894","","","","","","0.976","","","","has coordinates,has disorder","225343","2020-10-21","18:00:00",""
"1550966","12.2226","0.0004","24.7501","0.0008","12.0798","0.0004","90","","102.123","0.002","90","","3572.8","0.2","235","","235","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H42 Ag5 F3 N2 O2 S4 -","- C25 H42 Ag5 F3 N2 O2 S4 -","- C100 H168 Ag20 F12 N8 O8 S16 -","4","1","","Li, Yuan; Lu, Shu-Han; Zhao, Rui-dun; Lu, Zhi-Xiang; Liu, Xiao-Lan; Qin, Yu; Yang, Shao-Xiong; Zheng, Li-Yan; Cao, Qiu-e","A stable 1D helical silver coordination polymer with red emission","Polymer Chemistry","2019","10","21","2653","","10.1039/C9PY00362B","","","1.54178","CuKα","","0.0893","0.0582","","","0.1224","0.1364","","","","","","1.066","","","","has coordinates","225347","2020-10-21","18:00:00",""
"1550967","16.51","0.007","10.817","0.005","24.396","0.01","90","","99.031","0.011","90","","4303","3","200","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Moris558b (Mingyuan Li)","","","- C46 H61 N3 O P Pd -","- C46 H61 N3 O P Pd -","- C184 H244 N12 O4 P4 Pd4 -","4","1","","Li, Mingyuan; Zhang, Hu; Cai, Zhengguo; Eisen, Moris S.","Norbornene polymerization and copolymerization with 1-alkenes by neutral palladium complexes bearing aryloxide imidazolin-2-imine ligand","Polymer Chemistry","2019","10","21","2741","","10.1039/C9PY00176J","","","0.71073","MoKα","","0.067","0.0441","","","0.0869","0.0763","","","","","","0.985","","","","has coordinates","225348","2020-10-21","18:00:00",""
"1550968","11.1555","0.0012","13.2102","0.0014","21.891","0.002","75.266","0.002","86.56","0.002","88.068","0.002","3113.7","0.6","200","2","296.15","","","","","","","","","6","P -1","-P 1","2","Moris565b (Mingyuan Li)","","","- C79 H64 Cl2 N3 O Pd -","- C79 H64 Cl2 N3 O Pd -","- C158 H128 Cl4 N6 O2 Pd2 -","2","1","","Li, Mingyuan; Zhang, Hu; Cai, Zhengguo; Eisen, Moris S.","Norbornene polymerization and copolymerization with 1-alkenes by neutral palladium complexes bearing aryloxide imidazolin-2-imine ligand","Polymer Chemistry","2019","10","21","2741","","10.1039/C9PY00176J","","","0.71073","MoKα","","0.0908","0.0547","","","0.1368","0.1556","","","","","","1.048","","","","has coordinates","225348","2020-10-21","18:00:00",""
"1550969","13.5869","0.0009","14.2487","0.001","19.0045","0.0013","104.632","0.001","90.537","0.001","111.587","0.001","3288.7","0.4","200","2","200.15","","","","","","","","","7","P -1","-P 1","2","Moris563b (Mingyuan Li)","","","- C32 H42 Cl2 N3 O P Pd -","- C32 H42 Cl2 N3 O P Pd -","- C128 H168 Cl8 N12 O4 P4 Pd4 -","4","2","","Li, Mingyuan; Zhang, Hu; Cai, Zhengguo; Eisen, Moris S.","Norbornene polymerization and copolymerization with 1-alkenes by neutral palladium complexes bearing aryloxide imidazolin-2-imine ligand","Polymer Chemistry","2019","10","21","2741","","10.1039/C9PY00176J","","","0.71073","MoKα","","0.0411","0.0294","","","0.0685","0.0733","","","","","","1.003","","","","has coordinates","225348","2020-10-21","18:00:00",""
"1551112","7.0364","0.0016","21.638","0.005","15.514","0.003","90","","96.356","0.004","90","","2347.5","0.9","133","2","133","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl3 F6 N O S Ti -","- C20 H16 Cl3 F6 N O S Ti -","- C80 H64 Cl12 F24 N4 O4 S4 Ti4 -","4","1","","Ji, Li; Liu, Jia-Shuai; Wang, Xiao-Yan; Li, Jun-Fang; Chen, Zhou; Liao, Saihu; Sun, Xiu-Li; Tang, Yong","An efficient and mild route to highly fluorinated polyolefins via copolymerization of ethylene and 5-perfluoroalkylnorbornenes","Polymer Chemistry","2019","10","26","3604","","10.1039/C9PY00009G","","","0.71073","MoKα","","0.0859","0.0641","","","0.1556","0.1663","","","","","","1.059","","","","has coordinates,has disorder","225337","2020-10-21","18:00:00",""
"1551113","11.7525","0.0006","13.7868","0.0008","15.8335","0.0009","90","","99.701","0.001","90","","2528.8","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Cl3 N O S Ti -","- C20 H22 Cl3 N O S Ti -","- C80 H88 Cl12 N4 O4 S4 Ti4 -","4","1","","Ji, Li; Liu, Jia-Shuai; Wang, Xiao-Yan; Li, Jun-Fang; Chen, Zhou; Liao, Saihu; Sun, Xiu-Li; Tang, Yong","An efficient and mild route to highly fluorinated polyolefins via copolymerization of ethylene and 5-perfluoroalkylnorbornenes","Polymer Chemistry","2019","10","26","3604","","10.1039/C9PY00009G","","","0.71073","MoKα","","0.05","0.0382","","","0.1016","0.1062","","","","","","1.055","","","","has coordinates","225337","2020-10-21","18:00:00",""
"1551114","10.277","0.002","4.643","0.0009","11.285","0.002","90","","92.48","0.03","90","","537.97","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","synchrotron","","0.0419","0.0382","","","0.1052","0.1074","","","","","","1.153","","","","has coordinates","215470","2020-10-21","18:00:00",""
"1551115","10.225","0.002","4.708","0.0009","11.187","0.002","90","","93.01","0.03","90","","537.79","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.1839","0.0896","","","0.1516","0.1942","","","","","","1.138","","","","has coordinates","215471","2020-10-21","18:00:00",""
"1551116","10.231","0.002","4.7","0.0009","11.191","0.002","90","","92.95","0.03","90","","537.41","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.088","0.0641","","","0.1556","0.174","","","","","","1.103","","","","has coordinates","215472","2020-10-21","18:00:00",""
"1551117","10.257","0.002","4.678","0.0009","11.221","0.002","90","","92.81","0.03","90","","537.76","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.1365","0.0922","","","0.228","0.2617","","","","","","1.078","","","","has coordinates","215473","2020-10-21","18:00:00",""
"1551118","10.259","0.002","4.673","0.0009","11.23","0.002","90","","92.77","0.03","90","","537.74","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0727","0.0592","","","0.1444","0.1538","","","","","","1.08","","","","has coordinates","215474","2020-10-21","18:00:00",""
"1551119","10.238","0.002","4.691","0.0009","11.211","0.002","90","","92.85","0.03","90","","537.76","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.075","0.0619","","","0.1464","0.1597","","","","","","1.115","","","","has coordinates","215477","2020-10-21","18:00:00",""
"1551120","10.25","0.002","4.683","0.0009","11.213","0.002","90","","92.77","0.03","90","","537.6","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0641","0.0563","","","0.1268","0.1338","","","","","","1.098","","","","has coordinates","215478","2020-10-21","18:00:00",""
"1551121","10.268","0.002","4.674","0.0009","11.227","0.002","90","","92.56","0.03","90","","538.28","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0637","0.0578","","","0.1269","0.1313","","","","","","1.108","","","","has coordinates","215479","2020-10-21","18:00:00",""
"1551122","10.264","0.002","4.664","0.0009","11.249","0.002","90","","92.6","0.03","90","","537.95","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0591","0.0537","","","0.1101","0.1137","","","","","","1.07","","","","has coordinates","215480","2020-10-21","18:00:00",""
"1551123","10.271","0.002","4.654","0.0009","11.269","0.002","90","","92.46","0.03","90","","538.18","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0586","0.0526","","","0.1146","0.1194","","","","","","1.126","","","","has coordinates","215481","2020-10-21","18:00:00",""
"1551124","10.278","0.002","4.629","0.0009","11.318","0.002","90","","92.33","0.03","90","","538.03","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0599","0.054","","","0.118","0.1217","","","","","","1.135","","","","has coordinates","215482","2020-10-21","18:00:00",""
"1551125","10.283","0.002","4.618","0.0009","11.334","0.002","90","","92.26","0.03","90","","537.8","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0564","0.051","","","0.1055","0.109","","","","","","1.157","","","","has coordinates","215483","2020-10-21","18:00:00",""
"1551126","10.292","0.002","4.605","0.0009","11.36","0.002","90","","92.17","0.03","90","","538.02","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.056","0.0517","","","0.1095","0.1129","","","","","","1.107","","","","has coordinates","215484","2020-10-21","18:00:00",""
"1551127","10.301","0.002","4.594","0.0009","11.38","0.002","90","","92.07","0.03","90","","538.18","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0621","0.0554","","","0.1373","0.1448","","","","","","1.132","","","","has coordinates","215485","2020-10-21","18:00:00",""
"1551128","10.301","0.002","4.58","0.0009","11.413","0.002","90","","91.95","0.03","90","","538.14","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.064","0.0555","","","0.1286","0.1364","","","","","","1.112","","","","has coordinates","215486","2020-10-21","18:00:00",""
"1551129","10.305","0.002","4.573","0.0009","11.428","0.002","90","","91.94","0.03","90","","538.23","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.071","0.0602","","","0.1466","0.1565","","","","","","1.07","","","","has coordinates","215487","2020-10-21","18:00:00",""
"1551130","10.321","0.002","4.563","0.0009","11.444","0.002","90","","91.68","0.03","90","","538.72","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0735","0.0543","","","0.1261","0.1376","","","","","","1.163","","","","has coordinates","215488","2020-10-21","18:00:00",""
"1551131","10.326","0.002","4.558","0.0009","11.451","0.002","90","","91.63","0.03","90","","538.73","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.1779","0.0731","","","0.1313","0.1687","","","","","","1.08","","","","has coordinates","215489","2020-10-21","18:00:00",""
"1551132","10.261","0.002","4.668","0.0009","11.242","0.002","90","","92.72","0.03","90","","537.87","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0545","0.0472","","","0.1076","0.1122","","","","","","1.125","","","","has coordinates","215490","2020-10-21","18:00:00",""
"1551133","10.266","0.002","4.659","0.0009","11.26","0.002","90","","92.63","0.03","90","","537.99","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0466","0.0422","","","0.0971","0.0998","","","","","","1.2","","","","has coordinates","215491","2020-10-21","18:00:00",""
"1551134","10.268","0.002","4.654","0.0009","11.268","0.002","90","","92.61","0.03","90","","537.91","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0469","0.0438","","","0.0946","0.0964","","","","","","1.2","","","","has coordinates","215492","2020-10-21","18:00:00",""
"1551135","10.27","0.002","4.65","0.0009","11.282","0.002","90","","92.55","0.03","90","","538.24","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0481","0.0448","","","0.1001","0.1026","","","","","","1.196","","","","has coordinates","215493","2020-10-21","18:00:00",""
"1551136","10.276","0.002","4.64","0.0009","11.298","0.002","90","","92.49","0.03","90","","538.19","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0477","0.0449","","","0.0962","0.0983","","","","","","1.157","","","","has coordinates","215494","2020-10-21","18:00:00",""
"1551137","10.279","0.002","4.633","0.0009","11.311","0.002","90","","92.43","0.03","90","","538.17","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.046","0.0434","","","0.0928","0.0949","","","","","","1.075","","","","has coordinates","215495","2020-10-21","18:00:00",""
"1551138","10.287","0.002","4.615","0.0009","11.348","0.002","90","","92.26","0.03","90","","538.32","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0463","0.0436","","","0.0934","0.0955","","","","","","1.126","","","","has coordinates","215496","2020-10-21","18:00:00",""
"1551139","10.29","0.002","4.611","0.0009","11.357","0.002","90","","92.22","0.03","90","","538.45","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.049","0.0468","","","0.1021","0.1035","","","","","","1.14","","","","has coordinates","215497","2020-10-21","18:00:00",""
"1551140","10.293","0.002","4.603","0.0009","11.372","0.002","90","","92.14","0.03","90","","538.41","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0528","0.0493","","","0.122","0.1251","","","","","","1.126","","","","has coordinates","215498","2020-10-21","18:00:00",""
"1551141","10.296","0.002","4.599","0.0009","11.38","0.002","90","","92.1","0.03","90","","538.5","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.063","0.0571","","","0.1467","0.1522","","","","","","1.071","","","","has coordinates","215499","2020-10-21","18:00:00",""
"1551200","11.0922","0.0013","11.6999","0.0014","15.947","0.0019","72.262","0.001","71.267","0.001","81.633","0.001","1864.1","0.4","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H54 Ni O3 P2 -","- C39 H54 Ni O3 P2 -","- C78 H108 Ni2 O6 P4 -","2","1","","Tran, Thi V.; Nguyen, Yennie H.; Do, Loi H.","Development of highly productive nickel‒sodium phenoxyphosphine ethylene polymerization catalysts and their reaction temperature profiles","Polymer Chemistry","2019","10","27","3718","","10.1039/C9PY00610A","","","0.71073","MoKα","","0.0556","0.0466","","","0.159","0.2051","","","","","","1.085","","","","has coordinates,has disorder","225335","2020-10-21","18:00:00",""
"1551201","21.7805","0.0017","17.3222","0.0014","19.7901","0.0016","90","","102.54","0.001","90","","7288.4","1","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C70 H62 B F24 Na Ni O7 P2 -","- C70 H62 B F24 Na Ni O7 P2 -","- C280 H248 B4 F96 Na4 Ni4 O28 P8 -","4","1","","Tran, Thi V.; Nguyen, Yennie H.; Do, Loi H.","Development of highly productive nickel‒sodium phenoxyphosphine ethylene polymerization catalysts and their reaction temperature profiles","Polymer Chemistry","2019","10","27","3718","","10.1039/C9PY00610A","","","0.71073","MoKα","","0.0779","0.0666","","","0.1861","0.2007","","","","","","1.053","","","","has coordinates,has disorder","225335","2020-10-21","18:00:00",""
"1551204","12.391","0.014","23.18","0.02","29.92","0.03","90","","90.96","0.03","90","","8593","15","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H142 N7 Na O7 Si12 Th2 -","- C52 H142 N7 Na O7 Si12 Th2 -","- C208 H568 N28 Na4 O28 Si48 Th8 -","4","1","","Staun, Selena L.; Sergentu, Dumitru-Claudiu; Wu, Guang; Autschbach, Jochen; Hayton, Trevor W.","Use of <sup>15</sup> N NMR spectroscopy to probe covalency in a thorium nitride","Chemical Science","2019","10","26","6431","6436","10.1039/C9SC01960J","","","0.71073","MoKα","","0.232","0.119","","","0.1927","0.2259","","","","","","1.085","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1551205","11.893","0.003","14.617","0.004","14.62","0.004","74.546","0.015","71.051","0.015","71.238","0.014","2238.5","1.1","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H148 K N7 O8 Si12 Th2 -","- C56 H148 K N7 O8 Si12 Th2 -","- C56 H148 K N7 O8 Si12 Th2 -","1","0.5","","Staun, Selena L.; Sergentu, Dumitru-Claudiu; Wu, Guang; Autschbach, Jochen; Hayton, Trevor W.","Use of <sup>15</sup> N NMR spectroscopy to probe covalency in a thorium nitride","Chemical Science","2019","10","26","6431","6436","10.1039/C9SC01960J","","","0.71073","MoKα","","0.1177","0.0804","","","0.1803","0.195","","","","","","1.142","","","","has coordinates,has disorder","282777","2023-04-20","11:56:52",""
"1551206","18.497","0.006","18.497","0.006","16.973","0.004","90","","90","","120","","5029","3","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C18 H56 N4 Si6 Th -","- C18 H9 N4.0002 Si6 Th -","- C108 H54 N24.0012 Si36 Th6 -","6","0.166667","","Staun, Selena L.; Sergentu, Dumitru-Claudiu; Wu, Guang; Autschbach, Jochen; Hayton, Trevor W.","Use of <sup>15</sup> N NMR spectroscopy to probe covalency in a thorium nitride","Chemical Science","2019","10","26","6431","6436","10.1039/C9SC01960J","","","0.71073","MoKα","","0.101","0.0714","","","0.1843","0.1935","","","","","","1.406","","","","has coordinates,has disorder","282777","2023-04-20","11:56:52",""
"1551337","22.058","0.008","36.936","0.013","39.49","0.012","91.137","0.015","101.582","0.003","105.808","0.008","30232","18","120","2","120","","","","","","","","","5","P -1","-P 1","2","","","","- C260 H304 N32 O83 P16 -","- C243.5 H249 N32 O83 P16 -","- C974 H996 N128 O332 P64 -","4","2","","Krzysztof Ziach; Celine Chollet; Vincent Parissi; Panchami Prabhakaran; Mathieu Marchivie; Valentina Corvaglia; Partha Pratim Bose; Katta Laxmi-Reddy; Frederic Godde; Jean-Marie Schmitter; Stephane Chaignepain; Philippe Pourquier; Ivan Huc","Single helically folded aromatic oligoamides that mimic the charge surface of double-stranded B-DNA","Nature Chemistry","2018","10","","511","518","10.1038/s41557-018-0018-7","","","1.54178","CuKα","","0.2182","0.1765","","","0.4459","0.4834","","","","","","1.452","","","","has coordinates","215834","2020-10-21","18:00:00",""
"1551338","42.984","0.002","52.9718","0.0014","33.962","0.002","90","","126.304","0.002","90","","62319","5","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C259 H311 Cl3 N32 O83 P16 Si -","- C195 H151 Cl3 N32 O83 P16 Si -","- C1560 H1208 Cl24 N256 O664 P128 Si8 -","8","1","","Krzysztof Ziach; Celine Chollet; Vincent Parissi; Panchami Prabhakaran; Mathieu Marchivie; Valentina Corvaglia; Partha Pratim Bose; Katta Laxmi-Reddy; Frederic Godde; Jean-Marie Schmitter; Stephane Chaignepain; Philippe Pourquier; Ivan Huc","Single helically folded aromatic oligoamides that mimic the charge surface of double-stranded B-DNA","Nature Chemistry","2018","10","","511","518","10.1038/s41557-018-0018-7","","","1.54178","CuKα","","0.3397","0.1574","","","0.3276","0.3615","","","","","","0.971","","","","has coordinates","215835","2020-10-21","18:00:00",""
"1551339","26.415","0.017","28.192","0.014","42.64","0.02","85.65","0.011","75.41","0.02","75.48","0.05","29745","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C508 H592 N64 O163 P32 -","- C454 H427 N64 O163 P32 -","- C908 H854 N128 O326 P64 -","2","1","","Krzysztof Ziach; Celine Chollet; Vincent Parissi; Panchami Prabhakaran; Mathieu Marchivie; Valentina Corvaglia; Partha Pratim Bose; Katta Laxmi-Reddy; Frederic Godde; Jean-Marie Schmitter; Stephane Chaignepain; Philippe Pourquier; Ivan Huc","Single helically folded aromatic oligoamides that mimic the charge surface of double-stranded B-DNA","Nature Chemistry","2018","10","","511","518","10.1038/s41557-018-0018-7","","","0.81","","","0.2616","0.2081","","","0.4845","0.5207","","","","","","1.691","","","","has coordinates","215836","2020-10-21","18:00:00",""
"1551340","17.006","0.003","20.157","0.004","24.463","0.005","75.85","0.03","69.66","0.03","85.93","0.03","7623","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C140 H168 N16 O39 P8 -","- C140 H168 N16 O39 P8 -","- C280 H336 N32 O78 P16 -","2","1","","Krzysztof Ziach; Celine Chollet; Vincent Parissi; Panchami Prabhakaran; Mathieu Marchivie; Valentina Corvaglia; Partha Pratim Bose; Katta Laxmi-Reddy; Frederic Godde; Jean-Marie Schmitter; Stephane Chaignepain; Philippe Pourquier; Ivan Huc","Single helically folded aromatic oligoamides that mimic the charge surface of double-stranded B-DNA","Nature Chemistry","2018","10","","511","518","10.1038/s41557-018-0018-7","","","1.54178","CuKα","","0.1456","0.1245","","","0.3044","0.3189","","","","","","1.259","","","","has coordinates","215837","2020-10-21","18:00:00",""
"1551341","17.041","0.003","52.198","0.01","14.911","0.003","90","","106.91","0.03","90","","12690","5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C127 H128 Cl0 N20 O24 -","- C127 H128 N20 O24 -","- C508 H512 N80 O96 -","4","1","","Soumen De; Bo Chi; Thierry Granier; Ting Qi; Victor Maurizot; Ivan Huc","Designing cooperatively folded abiotic uni- and multimolecular helix bundles","Nature Chemistry","2018","10","","51","57","10.1038/nchem.2854","","","1.54178","CuKα","","0.2592","0.1297","","","0.2556","0.2888","","","","","","1.311","","","","has coordinates,has disorder","215838","2020-10-21","18:00:00",""
"1551342","27.392","0.006","35.87","0.007","28.337","0.006","90","","90.14","0.03","90","","27842","10","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C238 H226 N40 O44 -","- C238 H226 N40 O44 -","- C952 H904 N160 O176 -","4","1","","Soumen De; Bo Chi; Thierry Granier; Ting Qi; Victor Maurizot; Ivan Huc","Designing cooperatively folded abiotic uni- and multimolecular helix bundles","Nature Chemistry","2018","10","","51","57","10.1038/nchem.2854","","","0.8","","","0.1185","0.1048","","","0.2709","0.28","","","","","","1.757","","","","has coordinates,has disorder","215839","2020-10-21","18:00:00",""
"1551343","29.331","0.004","29.331","0.004","59.183","0.012","90","","90","","120","","44094","12","293","2","293","2","","","","","","","","5","P 3","P 3","143","","","","- C488 H460 Cl12 N80 O88 -","- C463 H383 Cl12 N80 O88 -","- C1389 H1149 Cl36 N240 O264 -","3","1","","Soumen De; Bo Chi; Thierry Granier; Ting Qi; Victor Maurizot; Ivan Huc","Designing cooperatively folded abiotic uni- and multimolecular helix bundles","Nature Chemistry","2018","10","","51","57","10.1038/nchem.2854","","","0.85","","","0.1421","0.1251","","","0.2917","0.2986","","","","","","1.74","","","","has coordinates,has disorder","215840","2020-10-21","18:00:00",""
"1551344","19.1113","0.0013","28.614","0.002","35.75","0.003","71.488","0.002","81.839","0.002","75.011","0.002","17869","2","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C256 H246 N44 O46 -","- C256 H246 N44 O46 -","- C512 H492 N88 O92 -","2","1","","Soumen De; Bo Chi; Thierry Granier; Ting Qi; Victor Maurizot; Ivan Huc","Designing cooperatively folded abiotic uni- and multimolecular helix bundles","Nature Chemistry","2018","10","","51","57","10.1038/nchem.2854","","","1.54178","CuKα","","0.1729","0.1089","","","0.2468","0.2663","","","","","","1.058","","","","has coordinates,has disorder","215841","2020-10-21","18:00:00",""
"1551345","18.008","0.004","18.419","0.004","30.513","0.006","78.68","0.03","88.33","0.03","65.83","0.03","9039","4","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C312 H313 Cl24 N44 O50 -","- C312 H313 Cl24 N44 O50 -","- C312 H313 Cl24 N44 O50 -","1","1","","Soumen De; Bo Chi; Thierry Granier; Ting Qi; Victor Maurizot; Ivan Huc","Designing cooperatively folded abiotic uni- and multimolecular helix bundles","Nature Chemistry","2018","10","","51","57","10.1038/nchem.2854","","","0.85001","","","0.1212","0.1019","","","0.2438","0.2527","","","","","","1.824","","","","has coordinates,has disorder","215842","2020-10-21","18:00:00",""
"1551346","25.286","0.005","26.901","0.005","27.418","0.006","108.71","0.03","107.77","0.03","109.81","0.03","14718","10","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C112 H104 N18 O21 -","- C112 H104 N18 O21 -","- C448 H416 N72 O84 -","4","4","","Soumen De; Bo Chi; Thierry Granier; Ting Qi; Victor Maurizot; Ivan Huc","Designing cooperatively folded abiotic uni- and multimolecular helix bundles","Nature Chemistry","2018","10","","51","57","10.1038/nchem.2854","","","0.8","","","0.1282","0.1021","","","0.2517","0.2747","","","","","","0.949","","","","has coordinates","215843","2020-10-21","18:00:00",""
"1551362","7.4654","0.0004","8.3783","0.0004","17.0551","0.0008","97.595","0.004","100.424","0.004","90.636","0.004","1039.27","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 N2 O2 S -","- C12 H10 N2 O2 S -","- C48 H40 N8 O8 S4 -","4","2","","Xiaoyan Wang; Linjiang Chen; Samantha Y. Chong; Marc A. Little; Yongzhen Wu; Wei-Hong Zhu; Rob Clowes; Yong Yan; Martijn A. Zwijnenburg; Reiner Sebastian Sprick; Andrew I. Cooper","Sulfone-containing covalent organic frameworks for photocatalytic hydrogen evolution from water","Nature Chemistry","2018","10","","1180","1189","10.1038/s41557-018-0141-5","","x-ray","0.6889","synchrotron","","0.0849","0.0789","","","0.2109","0.217","","","","","","1.028","","","","has coordinates","273808","2022-03-18","10:32:15",""
"1551363","5.8666","0.0002","10.0313","0.0003","13.5015","0.0004","90","","97.082","0.003","90","","788.5","0.04","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 N2 O4 S2 -","- C18 H12 N2 O4 S2 -","- C36 H24 N4 O8 S4 -","2","0.5","","Xiaoyan Wang; Linjiang Chen; Samantha Y. Chong; Marc A. Little; Yongzhen Wu; Wei-Hong Zhu; Rob Clowes; Yong Yan; Martijn A. Zwijnenburg; Reiner Sebastian Sprick; Andrew I. Cooper","Sulfone-containing covalent organic frameworks for photocatalytic hydrogen evolution from water","Nature Chemistry","2018","10","","1180","1189","10.1038/s41557-018-0141-5","","x-ray","0.6889","Synchrotron","","0.055","0.0496","","","0.1308","0.1353","","","","","","1.034","","","","has coordinates","215881","2020-10-21","18:00:00",""
"1551369","19.8457","0.0004","23.3538","0.0006","27.1601","0.0005","106.247","0.002","106.538","0.002","101.356","0.002","11049.9","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C144.25 H160 Br0.8 N36.25 O69.5 S2 -","- C144.25 H160 Br0.8 N36.25 O69.5 S2 -","- C288.5 H320 Br1.6 N72.5 O139 S4 -","2","1","","Joseph M. Rogers; Sunbum Kwon; Simon J. Dawson; Pradeep K. Mandal; Hiroaki Suga; Ivan Huc","Ribosomal synthesis and folding of peptide-helical aromatic foldamer hybrids","Nature Chemistry","2018","10","","405","412","10.1038/s41557-018-0007-x","","","1.54184","CuKα","","0.1592","0.1355","","","0.3964","0.4202","","","","","","1.689","","","","has coordinates,has disorder","215887","2020-10-21","18:00:00",""
"1551392","48.517","0.005","48.517","0.005","64.134","0.007","90","","90","","120","","130740","2","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C628.5 H496.5 B115.5 Co12 F81 N117 O54 S27 -","- C586.5 H489.75 B126 Co12 N101.25 -","- C3519 H2938.5 B756 Co72 N607.5 -","6","0.333333","","Felix J. Rizzuto; Jonathan R. Nitschke","Stereochemical plasticity modulates cooperative binding in a CoII12L6 cuboctahedron","Nature Chemistry","2017","10","","903","908","10.1038/nchem.2758","","","0.6889","synchrotron","","0.1767","0.1491","","","0.3782","0.3995","","","","","","1.208","","","","has coordinates,has disorder","215921","2020-10-21","18:00:00",""
"1551393","26.438","0.013","30.374","0.016","31.047","0.01","67.3","0.04","84.86","0.04","78.93","0.07","22569","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C764 H707 B264 Co12 N115 O -","- C744 H693.244 B276 Co12 N117 O -","- C744 H693.244 B276 Co12 N117 O -","1","0.5","","Felix J. Rizzuto; Jonathan R. Nitschke","Stereochemical plasticity modulates cooperative binding in a CoII12L6 cuboctahedron","Nature Chemistry","2017","10","","903","908","10.1038/nchem.2758","","","0.6889","synchrotron","","0.1467","0.1303","","","0.3477","0.3628","","","","","","0.988","","","","has coordinates,has disorder","215922","2020-10-21","18:00:00",""
"1551394","40.2042","0.0009","54.2465","0.0018","40.2935","0.0009","90","","90.408","0.002","90","","87875","4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C618 H355.5 B5.5 Co12 F133 N117 O74 S37 -","- C581 H355.5 B5.5 Co12 F22 N98.5 -","- C2324 H1422 B22 Co48 F88 N394 -","4","1","","Felix J. Rizzuto; Jonathan R. Nitschke","Stereochemical plasticity modulates cooperative binding in a CoII12L6 cuboctahedron","Nature Chemistry","2017","10","","903","908","10.1038/nchem.2758","","","0.6889","synchrotron","","0.1676","0.1492","","","0.3951","0.4133","","","","","","1.289","","","","has coordinates,has disorder","215923","2020-10-21","18:00:00",""
"1551398","10.5311","0.0001","6.7935","0.0001","10.9017","0.0001","90","","112.687","0.001","90","","719.593","0.015","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H18 N2 O3 -","- C17 H18 N2 O3 -","- C34 H36 N4 O6 -","2","1","","David L. Niquille; Douglas A. Hansen; Takahiro Mori; David Fercher; Hajo Kries; Donald Hilvert","Nonribosomal biosynthesis of backbone-modified peptides","Nature Chemistry","2018","10","","282","287","10.1038/nchem.2891","","x-ray","1.54184","CuKα","","0.0266","0.0266","","","0.0705","0.0706","","","","","","1.045","","","","has coordinates","215927","2020-10-21","18:00:00",""
"1551399","7.1977","0.00006","9.65236","0.00005","18.11426","0.00009","90","","90","","90","","1258.48","0.014","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","David L. Niquille; Douglas A. Hansen; Takahiro Mori; David Fercher; Hajo Kries; Donald Hilvert","Nonribosomal biosynthesis of backbone-modified peptides","Nature Chemistry","2018","10","","282","287","10.1038/nchem.2891","","x-ray","1.54184","CuKα","","0.0322","0.0313","","","0.0824","0.0831","","","","","","1.064","","","","has coordinates","215928","2020-10-21","18:00:00",""
"1551403","13.9006","0.0008","16.113","0.0009","17.2618","0.001","90","","93.095","0.001","90","","3860.7","0.4","180","","180","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 F6 N5 O8 S2 Zn -","- C29 H29 F6 N5 O8 S2 Zn -","- C116 H116 F24 N20 O32 S8 Zn4 -","4","1","","Meghan B. Ward; Andreas Scheitler; Meng Yu; Laura Senft; Annika S. Zillmann; John D. Gorden; Dean D. Schwartz; Ivana Ivanovic-Burmazovic; Christian R. Goldsmith","Superoxide dismutase activity enabled by a redox-active ligand rather than metal","Nature Chemistry","2018","10","","1207","1212","10.1038/s41557-018-0137-1","","","0.71073","MoKα","","0.0582","0.0457","","","0.1033","0.1099","","","","","","1.0523","","","","has coordinates","215933","2020-10-21","18:00:00",""
"1551404","16.6985","0.0016","12.4092","0.0012","17.7201","0.0017","90","","90","","90","","3671.9","0.6","180.45","","180.45","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C31 H34 F6 N6 O9 S2 Zn -","- C31 H34 F6 N6 O9 S2 Zn -","- C124 H136 F24 N24 O36 S8 Zn4 -","4","1","","Meghan B. Ward; Andreas Scheitler; Meng Yu; Laura Senft; Annika S. Zillmann; John D. Gorden; Dean D. Schwartz; Ivana Ivanovic-Burmazovic; Christian R. Goldsmith","Superoxide dismutase activity enabled by a redox-active ligand rather than metal","Nature Chemistry","2018","10","","1207","1212","10.1038/s41557-018-0137-1","","","0.71073","MoKα","","0.0715","0.0591","","","0.1128","0.1226","","","","","","1.0592","","","","has coordinates,has Fobs","215935","2020-10-21","18:00:00",""
"1551405","10.2291","0.0006","11.3937","0.0006","12.5182","0.0007","93.769","0.002","113.627","0.001","103.02","0.002","1282.25","0.13","180","","180","","","","","","","","","4","P -1","-P 1","2","","2-({(2-{bis{(pyridin-2-yl)methyl}amino}ethyl){(pyridin-2-yl)methyl]amino]methyl)benzene-1,4-diol methanol solvate","","- C28 H33 N5 O3 -","- C28 H33 N5 O3 -","- C56 H66 N10 O6 -","2","1","","Meghan B. Ward; Andreas Scheitler; Meng Yu; Laura Senft; Annika S. Zillmann; John D. Gorden; Dean D. Schwartz; Ivana Ivanovic-Burmazovic; Christian R. Goldsmith","Superoxide dismutase activity enabled by a redox-active ligand rather than metal","Nature Chemistry","2018","10","","1207","1212","10.1038/s41557-018-0137-1","","","0.71073","MoKα","","0.0677","0.0588","","","0.1218","0.1294","","","","","","1.0795","","","","has coordinates,has Fobs","215936","2020-10-21","18:00:00",""
"1551413","15.0023","0.0014","6.9693","0.0009","17.7197","0.0015","90","","112.945","0.002","90","","1706.1","0.3","100","","100","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C21 H15 N3 O3 Pd -","- C21 H15 N3 O3 Pd -","- C84 H60 N12 O12 Pd4 -","4","2","","Van T. Tran; John A. Gurak Jr; Kin S. Yang; Keary M. Engle","Activation of diverse carbon-heteroatom and carbon-carbon bonds via palladium(ii)-catalysed beta-X elimination","Nature Chemistry","2018","10","","1126","1133","10.1038/s41557-018-0110-z","","x-ray","0.71073","MoKα","","0.0498","0.0461","","","0.1074","0.1095","","","","","","1.044","","","","has coordinates","215951","2020-10-21","18:00:00",""
"1551414","10.5489","0.0015","10.6184","0.0015","19.274","0.002","76.628","0.004","84.772","0.005","81.899","0.005","2075.6","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H38 N6 O10 Pd2 -","- C46 H38 N6 O10 Pd2 -","- C92 H76 N12 O20 Pd4 -","2","1","","Van T. Tran; John A. Gurak Jr; Kin S. Yang; Keary M. Engle","Activation of diverse carbon-heteroatom and carbon-carbon bonds via palladium(ii)-catalysed beta-X elimination","Nature Chemistry","2018","10","","1126","1133","10.1038/s41557-018-0110-z","","x-ray","0.71073","MoKα","","0.0472","0.0307","","","0.0597","0.065","","","","","","1.025","","","","has coordinates","215952","2020-10-21","18:00:00",""
"1551447","21.255","0.0007","5.7151","0.001","18.8051","0.0006","90","","124.093","0.005","90","","1891.7","0.4","150","","150","","","","","","","",".","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H10 Br4 -","- C20 H10 Br4 -","- C80 H40 Br16 -","4","0.5","","Niko Pavlicek; Przemyslaw Gawel; Daniel R. Kohn; Zsolt Majzik; Yaoyao Xiong; Gerhard Meyer; Harry L. Anderson; Leo Gross","Polyyne formation via skeletal rearrangement induced by atomic manipulation","Nature Chemistry","2018","10","","853","858","10.1038/s41557-018-0067-y","","","1.54184","CuKα","","0.0497","0.0493","","0.1224","0.1216","0.1224","","","","","","1.0902","","","","has coordinates,has Fobs","216015","2020-10-21","18:00:00",""
"1551448","12.0069","0.0004","3.9729","0.0002","22.0798","0.0007","90","","100.208","0.003","90","","1036.58","0.07","150","","150","","","","","","","",".","3","P 1 2/c 1","-P 2yc","13","","","","- C24 H10 Br4 -","- C24 H10 Br4 -","- C48 H20 Br8 -","2","0.5","","Niko Pavlicek; Przemyslaw Gawel; Daniel R. Kohn; Zsolt Majzik; Yaoyao Xiong; Gerhard Meyer; Harry L. Anderson; Leo Gross","Polyyne formation via skeletal rearrangement induced by atomic manipulation","Nature Chemistry","2018","10","","853","858","10.1038/s41557-018-0067-y","","","1.54184","CuKα","","0.0525","0.0499","","0.1282","0.1222","0.1282","","","","","","1.0504","","","","has coordinates,has Fobs","216016","2020-10-21","18:00:00",""
"1551449","10.6051","0.0007","4.9313","0.0003","23.4977","0.0016","90","","98.092","0.007","90","","1216.62","0.14","150","","150","","","","","","","",".","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H10 Br4 -","- C28 H10 Br4 -","- C56 H20 Br8 -","2","0.5","","Niko Pavlicek; Przemyslaw Gawel; Daniel R. Kohn; Zsolt Majzik; Yaoyao Xiong; Gerhard Meyer; Harry L. Anderson; Leo Gross","Polyyne formation via skeletal rearrangement induced by atomic manipulation","Nature Chemistry","2018","10","","853","858","10.1038/s41557-018-0067-y","","","1.54184","CuKα","","0.0734","0.0596","","0.1766","0.1585","0.1761","","","","","","1.1965","","","","has coordinates,has disorder,has Fobs","216017","2020-10-21","18:00:00",""
"1551498","6.90351","0.00004","6.97713","0.00004","10.82548","0.00006","90","","90","","90","","521.428","0.005","","","296","","","","","","","","","5","I m m m","-I 2 2","71","","","CrCl2pyz2","- C8 H16 Cl2 Cr N4 -","- C8 H16 Cl2 Cr N4 -","- C16 H32 Cl4 Cr2 N8 -","2","0.125","","Kasper S. Pedersen; Panagiota Perlepe; Michael L. Aubrey; Daniel N. Woodruff; Sebastian E. Reyes-Lillo; Anders Reinholdt; Laura Voigt; Zheshen Li; Kasper Borup; Mathieu Rouzieres; Dumitru Samohvalov; Fabrice Wilhelm; Andrei Rogalev; Jeffrey B. Neaton; Jeffrey R. Long; Rodolphe Clerac","Formation of the layered conductive magnet CrCl2(pyrazine)2 through redox-active coordination chemistry","Nature Chemistry","2018","10","","1056","1061","10.1038/s41557-018-0107-7","powder diffraction","x-ray","0.82626","synchrotron","","","","","","","","","","","","","4.9211","","","","has coordinates","216099","2020-10-21","18:00:00",""
"1551499","13.4559","0.0003","15.142","0.0004","23.1601","0.0006","90","","93.2","0.001","90","","4711.5","0.2","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20.5 Cl3 Cr N4 O4.25 -","- C20 H20.5 Cl3 Cr N4 O4.25 -","- C160 H164 Cl24 Cr8 N32 O34 -","8","2","","Kasper S. Pedersen; Panagiota Perlepe; Michael L. Aubrey; Daniel N. Woodruff; Sebastian E. Reyes-Lillo; Anders Reinholdt; Laura Voigt; Zheshen Li; Kasper Borup; Mathieu Rouzieres; Dumitru Samohvalov; Fabrice Wilhelm; Andrei Rogalev; Jeffrey B. Neaton; Jeffrey R. Long; Rodolphe Clerac","Formation of the layered conductive magnet CrCl2(pyrazine)2 through redox-active coordination chemistry","Nature Chemistry","2018","10","","1056","1061","10.1038/s41557-018-0107-7","","x-ray","1.34139","GaKα","","0.0332","0.0317","","","0.0812","0.0825","","","","","","1.074","","","","has coordinates,has disorder","216100","2020-10-21","18:00:00",""
"1551500","47.726","0.005","47.726","0.005","39.415","0.008","90","","90","","120","","77750","2","100","","100","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C384 H306 F30 Fe6 N36 O24 P5 -","- C384 F29.9994 Fe6 N36 O24 P4.9999 -","- C2304 F179.996 Fe36 N216 O144 P29.9994 -","6","0.333333","","Liang Zhang; Alexander J. Stephens; Alina L. Nussbaumer; Jean-Francois Lemonnier; Pia Jurcek; Inigo J. Vitorica-Yrezabal; David A. Leigh","Stereoselective synthesis of a composite knot with nine crossings","Nature Chemistry","2018","10","","1083","1088","10.1038/s41557-018-0124-6","","x-ray","0.6889","Synchrotron","","0.343","0.2678","","","0.5742","0.6393","","","","","","2.608","","","","has coordinates,has disorder","216102","2020-10-21","18:00:00",""
"1551823","18.689","0.0002","9.2907","0.0001","20.9995","0.0002","90","","93.745","0.001","90","","3638.44","0.07","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 F6 O6 S2 Si2 -","- C34 H34 F6 O6 S2 Si2 -","- C136 H136 F24 O24 S8 Si8 -","4","1","","Xin, Dehua; Qin, Anjun; Tang, Ben Zhong","Benzyne‒azide polycycloaddition: a facile route toward functional polybenzotriazoles","Polymer Chemistry","2019","10","31","4271","","10.1039/C9PY00632J","","x-ray","1.54184","CuKα","","0.0418","0.038","","","0.0967","0.099","","","","","","1.034","","","","has coordinates","225346","2020-10-21","18:00:00",""
"1551834","7.95564","0.00014","16.3879","0.0003","26.8668","0.0005","90","","90","","90","","3502.79","0.11","150","0.1","150","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H32 Cl6 N2 O2 Os S -","- C35 H32 Cl6 N2 O2 Os S -","- C140 H128 Cl24 N8 O8 Os4 S4 -","4","1","","James P. C. Coverdale; Isolda Romero-Canelon; Carlos Sanchez-Cano; Guy J. Clarkson; Abraha Habtemariam; Martin Wills; Peter J. Sadler","Asymmetric transfer hydrogenation by synthetic catalysts in cancer cells","Nature Chemistry","2018","10","","347","354","10.1038/nchem.2918","","x-ray","0.71073","MoKα","","0.0436","0.0328","","","0.0539","0.057","","","","","","1.024","","","","has coordinates","216455","2020-10-21","18:00:00",""
"1551835","7.95923","0.00012","16.394","0.0003","26.878","0.0005","90","","90","","90","","3507.14","0.11","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H32 Cl6 N2 O2 Os S -","- C35 H32 Cl6 N2 O2 Os S -","- C140 H128 Cl24 N8 O8 Os4 S4 -","4","1","","James P. C. Coverdale; Isolda Romero-Canelon; Carlos Sanchez-Cano; Guy J. Clarkson; Abraha Habtemariam; Martin Wills; Peter J. Sadler","Asymmetric transfer hydrogenation by synthetic catalysts in cancer cells","Nature Chemistry","2018","10","","347","354","10.1038/nchem.2918","","x-ray","0.71073","MoKα","","0.0489","0.0361","","","0.0581","0.0623","","","","","","1.024","","","","has coordinates","216456","2020-10-21","18:00:00",""
"1551887","31.466","0.002","18.3593","0.0012","29.875","0.002","90","","126.405","0.0019","90","","13890.4","1.6","170","2","170","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H74 Br4 N4 O11 -","- C72 H74 Br4 N4 O11 -","- C576 H592 Br32 N32 O88 -","8","1","","Kelong Zhu; Giorgio Baggi; Stephen J. Loeb","Ring-through-ring molecular shuttling in a saturated [3]rotaxane","Nature Chemistry","2018","10","","625","630","10.1038/s41557-018-0040-9","","","1.54178","CuKα","","0.2035","0.1067","","","0.2366","0.2919","","","","","","1.039","","","","has coordinates,has disorder","216529","2020-10-21","18:00:00",""
"1551888","13.1755","0.0003","18.6165","0.0005","21.6086","0.0006","86.0293","0.0018","84.4233","0.0016","85.0168","0.0017","5245.3","0.2","170","2","170","","","","","","","","","6","P -1","-P 1","2","","","","- C248 H248 B2 F8 N4 O16 -","- C248 H248 B2 F8 N4 O16 -","- C248 H248 B2 F8 N4 O16 -","1","0.5","","Kelong Zhu; Giorgio Baggi; Stephen J. Loeb","Ring-through-ring molecular shuttling in a saturated [3]rotaxane","Nature Chemistry","2018","10","","625","630","10.1038/s41557-018-0040-9","","","1.54178","CuKα","","0.266","0.1452","","","0.3524","0.4188","","","","","","1.213","","","","has coordinates,has disorder","216530","2020-10-21","18:00:00",""
"1551903","8.368","0.0005","8.3711","0.0005","21.6926","0.0014","90","","93.54","0.005","90","","1516.65","0.16","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 Cl2 Fe N4 -","- C14 H8 Cl2 Fe N4 -","- C56 H32 Cl8 Fe4 N16 -","4","0.5","","J. Lopez-Cabrelles; S. Manas-Valero; I. J. Vitorica-Yrezabal; P. J. Bereciartua; J. A. Rodriguez-Velamazan; J. C. Waerenborgh; B. J. C. Vieira; D. Davidovikj; P. G. Steeneken; H. S. J. van der Zant; G. Minguez Espallargas; E. Coronado","Isoreticular two-dimensional magnetic coordination polymers prepared through pre-synthetic ligand functionalization","Nature Chemistry","2018","10","","1001","1007","10.1038/s41557-018-0113-9","","x-ray","0.6889","","","0.0936","0.0919","","","0.2328","0.234","","","","","","1.16","","","","has coordinates,has disorder","216567","2020-10-21","18:00:00",""
"1551904","8.3356","0.0014","8.3352","0.0011","18.758","0.003","90","","96.965","0.013","90","","1293.7","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Fe N4 -","- C14 H10 Fe N4 -","- C56 H40 Fe4 N16 -","4","0.5","","J. Lopez-Cabrelles; S. Manas-Valero; I. J. Vitorica-Yrezabal; P. J. Bereciartua; J. A. Rodriguez-Velamazan; J. C. Waerenborgh; B. J. C. Vieira; D. Davidovikj; P. G. Steeneken; H. S. J. van der Zant; G. Minguez Espallargas; E. Coronado","Isoreticular two-dimensional magnetic coordination polymers prepared through pre-synthetic ligand functionalization","Nature Chemistry","2018","10","","1001","1007","10.1038/s41557-018-0113-9","","x-ray","0.6889","synchrotron","","0.0871","0.0813","","","0.2198","0.2275","","","","","","1.117","","","","has coordinates,has disorder","216568","2020-10-21","18:00:00",""
"1551905","8.2809","0.0006","8.2718","0.0006","21.798","0.003","90","","92.418","0.008","90","","1491.8","0.3","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Fe N4 -","- C16 H12 Fe N4 -","- C64 H48 Fe4 N16 -","4","0.5","","J. Lopez-Cabrelles; S. Manas-Valero; I. J. Vitorica-Yrezabal; P. J. Bereciartua; J. A. Rodriguez-Velamazan; J. C. Waerenborgh; B. J. C. Vieira; D. Davidovikj; P. G. Steeneken; H. S. J. van der Zant; G. Minguez Espallargas; E. Coronado","Isoreticular two-dimensional magnetic coordination polymers prepared through pre-synthetic ligand functionalization","Nature Chemistry","2018","10","","1001","1007","10.1038/s41557-018-0113-9","","x-ray","0.71073","MoKα","","0.097","0.0818","","","0.1957","0.2027","","","","","","1.176","","","","has coordinates,has disorder","216569","2020-10-21","18:00:00",""
"1551906","8.2958","0.0006","8.2991","0.0006","22.299","0.002","90","","92.44","0.008","90","","1533.8","0.2","150.02","0.1","150.02","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C14 H8 Br2 Fe N4 -","- C14 H8 Br2 Fe N4 -","- C56 H32 Br8 Fe4 N16 -","4","1","","J. Lopez-Cabrelles; S. Manas-Valero; I. J. Vitorica-Yrezabal; P. J. Bereciartua; J. A. Rodriguez-Velamazan; J. C. Waerenborgh; B. J. C. Vieira; D. Davidovikj; P. G. Steeneken; H. S. J. van der Zant; G. Minguez Espallargas; E. Coronado","Isoreticular two-dimensional magnetic coordination polymers prepared through pre-synthetic ligand functionalization","Nature Chemistry","2018","10","","1001","1007","10.1038/s41557-018-0113-9","","x-ray","0.71073","MoKα","","0.2505","0.2372","","","0.5361","0.5506","","","","","","2.445","","","","has coordinates,has disorder","216570","2020-10-21","18:00:00",""
"1551907","8.2188","0.0019","8.217","0.002","21.481","0.013","90","","97.66","0.04","90","","1437.7","1","149.9","0.3","149.9","0.3","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 Fe N6 -","- C14 H8.5 Fe N6 -","- C56 H34 Fe4 N24 -","4","0.5","","J. Lopez-Cabrelles; S. Manas-Valero; I. J. Vitorica-Yrezabal; P. J. Bereciartua; J. A. Rodriguez-Velamazan; J. C. Waerenborgh; B. J. C. Vieira; D. Davidovikj; P. G. Steeneken; H. S. J. van der Zant; G. Minguez Espallargas; E. Coronado","Isoreticular two-dimensional magnetic coordination polymers prepared through pre-synthetic ligand functionalization","Nature Chemistry","2018","10","","1001","1007","10.1038/s41557-018-0113-9","","x-ray","0.71073","MoKα","","0.1986","0.1772","","","0.411","0.4268","","","","","","1.158","","","","has coordinates,has disorder","216571","2020-10-21","18:00:00",""
"1551909","18.5676","0.0012","18.5676","0.0012","6.8056","0.0006","90","","90","","120","","2031.9","0.3","300","2","300","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C10 H11.33 Cu O6.67 -","- C10 H9 Cu O6.66467 -","- C60 H54 Cu6 O39.988 -","6","0.5","","Lauren N. McHugh; Matthew J. McPherson; Laura J. McCormick; Samuel A. Morris; Paul S. Wheatley; Simon J. Teat; David McKay; Daniel M. Dawson; Charlotte E. F. Sansome; Sharon E. Ashbrook; Corinne A. Stone; Martin W. Smith; Russell E. Morris","Hydrolytic stability in hemilabile metal-organic frameworks","Nature Chemistry","2018","10","","1096","1102","10.1038/s41557-018-0104-x","","","0.7749","synchrotron","","0.0478","0.0367","","","0.0973","0.1033","","","","","","1.061","","","","has coordinates","216574","2020-10-21","18:00:00",""
"1551910","33.028","0.003","33.028","0.003","5.2047","0.0006","90","","90","","120","","4916.9","0.8","300","2","300","2","","","","","","","","4","P 3 1 m","P 3 -2","157","","","","- C10 H8 Cu O5 -","- C10 H8 Cu O5 -","- C180 H144 Cu18 O90 -","18","3","","Lauren N. McHugh; Matthew J. McPherson; Laura J. McCormick; Samuel A. Morris; Paul S. Wheatley; Simon J. Teat; David McKay; Daniel M. Dawson; Charlotte E. F. Sansome; Sharon E. Ashbrook; Corinne A. Stone; Martin W. Smith; Russell E. Morris","Hydrolytic stability in hemilabile metal-organic frameworks","Nature Chemistry","2018","10","","1096","1102","10.1038/s41557-018-0104-x","","","0.7749","synchrotron","","0.1685","0.1515","","","0.3291","0.341","","","","","","1.104","","","","has coordinates,has disorder","216575","2020-10-21","18:00:00",""
"1551911","15.215","0.002","11.5219","0.0018","29.439","0.005","90","","90","","90","","5160.8","1.4","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H33 F3 Ir N O -","- C28 H33 F3 Ir N O -","- C224 H264 F24 Ir8 N8 O8 -","8","1","","Kwangmin Shin; Yoonsu Park; Mu-Hyun Baik; Sukbok Chang","Iridium-catalysed arylation of C-H bonds enabled by oxidatively induced reductive elimination","Nature Chemistry","2018","10","","218","224","10.1038/nchem.2900","","","0.71073","MoKα","","0.0334","0.0224","","","0.0452","0.0492","","","","","","1.116","","","","has coordinates","216576","2020-10-21","18:00:00",""
"1551924","20.0122","0.0015","9.8352","0.0007","7.4416","0.0006","90","","90.639","0.005","90","","1464.59","0.19","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 F3 N O3 W -","- C15 H10 F3 N O3 W -","- C60 H40 F12 N4 O12 W4 -","4","1","","Tianfei Liu; Meiyuan Guo; Andreas Orthaber; Reiner Lomoth; Marcus Lundberg; Sascha Ott; Leif Hammarstrom","Accelerating proton-coupled electron transfer of metal hydrides in catalyst model reactions","Nature Chemistry","2018","10","","881","887","10.1038/s41557-018-0076-x","","","0.71073","MoKα","","0.0825","0.072","","","0.1781","0.1859","","","","","","1.138","","","","has coordinates","216653","2020-10-21","18:00:00",""
"1551925","11.8215","0.0005","6.2202","0.0002","19.1297","0.0008","90","","92.475","0.002","90","","1405.33","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 N O3 W -","- C15 H13 N O3 W -","- C60 H52 N4 O12 W4 -","4","1","","Tianfei Liu; Meiyuan Guo; Andreas Orthaber; Reiner Lomoth; Marcus Lundberg; Sascha Ott; Leif Hammarstrom","Accelerating proton-coupled electron transfer of metal hydrides in catalyst model reactions","Nature Chemistry","2018","10","","881","887","10.1038/s41557-018-0076-x","","","0.71073","MoKα","","0.0334","0.0271","","","0.0572","0.0591","","","","","","1.09","","","","has coordinates","216654","2020-10-21","18:00:00",""
"1551926","8.2435","0.0003","8.3778","0.0002","11.8392","0.0004","103.606","0.001","98.72","0.002","108.776","0.001","729.09","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 N O4 W -","- C15 H13 N O4 W -","- C30 H26 N2 O8 W2 -","2","1","","Tianfei Liu; Meiyuan Guo; Andreas Orthaber; Reiner Lomoth; Marcus Lundberg; Sascha Ott; Leif Hammarstrom","Accelerating proton-coupled electron transfer of metal hydrides in catalyst model reactions","Nature Chemistry","2018","10","","881","887","10.1038/s41557-018-0076-x","","","0.71073","MoKα","","0.0249","0.022","","","0.0507","0.052","","","","","","1.121","","","","has coordinates","216655","2020-10-21","18:00:00",""
"1551934","10.222","0.002","9.1756","0.0018","12.967","0.003","90","","112.96","0.03","90","","1119.9","0.5","153.15","","153.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H31 N O3 Rh -","- C24 H31 N O3 Rh -","- C48 H62 N2 O6 Rh2 -","2","1","","Wu, Xiaolu; Zhang, Pengfei; Yang, Zhi; Zhang, Shaowen; Liu, Hao; Chi, Weijie; Li, Xiaofang; Dong, Yuping; Qiu, Nannan; Yan, Li","Polymerization of phenylacetylenes by binuclear rhodium catalysts with different para-binucleating phenoxyiminato linkages","Polymer Chemistry","2019","10","30","4163","","10.1039/C9PY00594C","","","0.71073","MoKα","","0.0324","0.0318","","","0.0734","0.0741","","","","","","1.055","","","","has coordinates","225345","2020-10-21","18:00:00",""
"1551935","12.96235","0.00017","10.15759","0.00011","14.61931","0.00018","90","","102.942","0.0012","90","","1875.97","0.04","105.4","","105.4","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H26 N O Rh -","- C23 H26 N O Rh -","- C92 H104 N4 O4 Rh4 -","4","2","","Wu, Xiaolu; Zhang, Pengfei; Yang, Zhi; Zhang, Shaowen; Liu, Hao; Chi, Weijie; Li, Xiaofang; Dong, Yuping; Qiu, Nannan; Yan, Li","Polymerization of phenylacetylenes by binuclear rhodium catalysts with different para-binucleating phenoxyiminato linkages","Polymer Chemistry","2019","10","30","4163","","10.1039/C9PY00594C","","","0.7107","MoKα","","0.0308","0.0273","","","0.0543","0.0565","","","","","","1.031","","","","has coordinates","225345","2020-10-21","18:00:00",""
"1551936","17.031","0.003","9.954","0.002","11.038","0.002","90","","111.66","0.03","90","","1739.1","0.7","153.15","","153.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H20 N O Rh -","- C21 H20 N O Rh -","- C84 H80 N4 O4 Rh4 -","4","1","","Wu, Xiaolu; Zhang, Pengfei; Yang, Zhi; Zhang, Shaowen; Liu, Hao; Chi, Weijie; Li, Xiaofang; Dong, Yuping; Qiu, Nannan; Yan, Li","Polymerization of phenylacetylenes by binuclear rhodium catalysts with different para-binucleating phenoxyiminato linkages","Polymer Chemistry","2019","10","30","4163","","10.1039/C9PY00594C","","","0.710747","MoKα","","0.071","0.0572","","","0.1621","0.2138","","","","","","1.133","","","","has coordinates","225345","2020-10-21","18:00:00",""
"1551937","12.96","0.003","9.9","0.002","13.1","0.003","90","","109.53","0.03","90","","1584.1","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H19 N O Rh -","- C19 H19 N O Rh -","- C76 H76 N4 O4 Rh4 -","4","2","","Wu, Xiaolu; Zhang, Pengfei; Yang, Zhi; Zhang, Shaowen; Liu, Hao; Chi, Weijie; Li, Xiaofang; Dong, Yuping; Qiu, Nannan; Yan, Li","Polymerization of phenylacetylenes by binuclear rhodium catalysts with different para-binucleating phenoxyiminato linkages","Polymer Chemistry","2019","10","30","4163","","10.1039/C9PY00594C","","","0.71073","MoKα","","0.044","0.0411","","","0.081","0.0834","","","","","","1.037","","","","has coordinates","225345","2020-10-21","18:00:00",""
"1551938","19.411","0.004","10.281","0.002","9.972","0.002","90","","94.88","0.03","90","","1982.8","0.7","153.15","","153.15","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C45 H43 Cl3 N2 O2 Rh2 -","- C45 H43 Cl3 N2 O2 Rh2 -","- C90 H86 Cl6 N4 O4 Rh4 -","2","0.5","","Wu, Xiaolu; Zhang, Pengfei; Yang, Zhi; Zhang, Shaowen; Liu, Hao; Chi, Weijie; Li, Xiaofang; Dong, Yuping; Qiu, Nannan; Yan, Li","Polymerization of phenylacetylenes by binuclear rhodium catalysts with different para-binucleating phenoxyiminato linkages","Polymer Chemistry","2019","10","30","4163","","10.1039/C9PY00594C","","","0.710747","MoKα","","0.0965","0.0818","","","0.2208","0.2663","","","","","","1.127","","","","has coordinates","225345","2020-10-21","18:00:00",""
"1552025","19.8738","0.0016","19.8738","0.0016","19.8738","0.0016","90","","90","","90","","7849.5","1.1","100","2","100.15","","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C86 H123 K N2 O10 U -","- C86.0001 H123 K N2 O10 U -","- C344 H492.001 K4 N8 O40 U4 -","4","0.333333","","Dominik P. Halter; Frank W. Heinemann; Laurent Maron; Karsten Meyer","The role of uranium-arene bonding in H2O reduction catalysis","Nature Chemistry","2018","10","","259","267","10.1038/nchem.2899","","","0.71073","MoKα","","0.0389","0.0336","","","0.0721","0.0737","","","","","","1.081","","","","has coordinates,has disorder","216834","2020-10-21","18:00:00",""
"1552026","15.4665","0.0005","18.133","0.0007","19.847","0.0007","90","","92.049","0.003","90","","5562.6","0.3","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C67 H86 N3 O3 U -","- C67 H86 N3 O3 U -","- C268 H344 N12 O12 U4 -","4","1","","Dominik P. Halter; Frank W. Heinemann; Laurent Maron; Karsten Meyer","The role of uranium-arene bonding in H2O reduction catalysis","Nature Chemistry","2018","10","","259","267","10.1038/nchem.2899","","","0.71073","MoKα","","0.0338","0.0228","","","0.0472","0.0506","","","","","","1.031","","","","has coordinates","216835","2020-10-21","18:00:00",""
"1552027","41.761","0.002","15.8422","0.0006","24.5005","0.0015","90","","124.439","0.003","90","","13368.2","1.3","100","2","100.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C79 H107 O8 U -","- C79 H107 O8 U -","- C632 H856 O64 U8 -","8","1","","Dominik P. Halter; Frank W. Heinemann; Laurent Maron; Karsten Meyer","The role of uranium-arene bonding in H2O reduction catalysis","Nature Chemistry","2018","10","","259","267","10.1038/nchem.2899","","","0.71073","MoKα","","0.0373","0.026","","","0.0608","0.0655","","","","","","1.05","","","","has coordinates,has disorder","216836","2020-10-21","18:00:00",""
"1552028","11.36","0.002","25.522","0.005","22.856","0.004","90","","97.314","0.003","90","","6573","2","100","2","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H105 N3 O7 Si U -","- C70 H105 N3 O7 Si U -","- C280 H420 N12 O28 Si4 U4 -","4","1","","Dominik P. Halter; Frank W. Heinemann; Laurent Maron; Karsten Meyer","The role of uranium-arene bonding in H2O reduction catalysis","Nature Chemistry","2018","10","","259","267","10.1038/nchem.2899","","","0.71073","MoKα","","0.0343","0.0267","","","0.0655","0.0689","","","","","","1.066","","","","has coordinates,has disorder","216837","2020-10-21","18:00:00",""
"1552076","3.6254","0.0017","6.407","0.007","4.948","0.003","90","","111.48","0.06","90","","106.95","0.15","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Rhenium nitride pernitride","","- N2 Re -","- N2 Re -","- N8 Re4 -","4","1","","Bykov, Maxim; Chariton Stella; Fedotenko Timofey; Ponomareva Alena V.; Tasnadi Ferenc; Vogel Sebastian; Schnick Wolfgang; Prakapenka Vitali; Hanfland Michael; Liermann Hanns-Peter; Abrikosov Igor A.; Dubrovinskaia Natalia; Dubrovinsky Leonid","High-pressure synthesis of an ultraincompressible and hard material ReN2 stable at ambient conditions","Nature Communications","2019","10","","2994","","10.1038/s41467-019-10995-3","","x-ray","0.2903","synchrotron","","0.0351","0.035","","","0.088","0.0882","","","","","","1.103","","","","has coordinates,has Fobs","216895","2020-10-21","18:00:00",""
"1552115","5.34","0.001","9.241","0.001","14.689","0.002","90","","93.66","0.03","90","","723.38","0.19","","","298","","","","100","","","","Synthetic","4","C 1 c 1","C -2yc","9","Mg3Si2O5(OH)4","","chrysotile","- H4 Mg3 O9 Si2 -","- Mg3 O9 Si2 -","- Mg12 O36 Si8 -","4","1","","Falini, G.; Foresti, E.; Gazzano, M.; Gualtieri, A.F.; Leoni, M.; Lesci, I.G.; Roveri, N.","Tubular-shaped stoichiometric chrysotile nanocrystals","Chemistry - European Journal","2004","10","","3043","3049","10.1002/chem.200305685","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:03",""
"1552149","11.341","0.002","17.349","0.003","20.734","0.003","89.688","0.005","82.245","0.006","88.268","0.005","4040.4","1.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H56 Br2 N2 Ni -","- C44 H56 Br2 N2 Ni -","- C176 H224 Br8 N8 Ni4 -","4","2","","Guo, Lihua; Sun, Wenting; Li, Shuaikang; Xu, Guoyong; Dai, Shengyu","Bulky yet flexible substituents in insertion polymerization with α-diimine nickel and palladium systems","Polymer Chemistry","2019","10","35","4866","","10.1039/C9PY00857H","","","0.71073","MoKα","","0.1099","0.053","","","0.1138","0.1409","","","","","","1.014","","","","has coordinates","225350","2020-10-21","18:00:00",""
"1552150","16.9097","0.0014","11.7853","0.0011","20.3376","0.0018","90","","94.164","0.001","90","","4042.3","0.6","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H59 Cl N2 Pd -","- C45 H59 Cl N2 Pd -","- C180 H236 Cl4 N8 Pd4 -","4","1","","Guo, Lihua; Sun, Wenting; Li, Shuaikang; Xu, Guoyong; Dai, Shengyu","Bulky yet flexible substituents in insertion polymerization with α-diimine nickel and palladium systems","Polymer Chemistry","2019","10","35","4866","","10.1039/C9PY00857H","","","","","","0.095","","","","","","","","","","","","","","","has coordinates","225350","2020-10-21","18:00:00",""
"1552237","13.8609","0.0004","20.1753","0.0006","8.7717","0.0003","90","","94.944","0.001","90","","2443.86","0.13","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 B N O5 -","- C26 H36 B N O5 -","- C104 H144 B4 N4 O20 -","4","1","","Unthank, Matthew G.; Cameron, Colin; Wright, Anthony; Hughes, David; Alam, M. Ashraf; Probert, Michael R.","Amino-diol borate complexation for controlling transport phenomena of penetrant molecules into polymeric matrices","Polymer Chemistry","2019","10","36","4920","","10.1039/C9PY00780F","","x-ray","1.54178","CuKα","","0.053","0.0522","","","0.149","0.1497","","","","","","1.071","","","","has coordinates,has disorder","225349","2020-10-21","18:00:00",""
"1552918","20.449","0.00014","35.9379","0.0002","31.80647","0.00019","90","","91.1204","0.0006","90","","23369.9","0.2","113","2","113","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Au25Biicosahedral","","- C220 H195 Au25 Cl2 F10.62 P10 S5 Sb2.02 -","- C220 H195 Au25 Cl2 F10.626 P10 S5 Sb2.0235 -","- C880 H780 Au100 Cl8 F42.504 P40 S20 Sb8.094 -","4","1","","Nair, Lakshmi V.; Hossain, Sakiat; Takagi, Shunjiro; Imai, Yukari; Hu, Guoxiang; Wakayama, Shota; Kumar, Bharat; Kurashige, Wataru; Jiang, De-En; Negishi, Yuichi","Hetero-biicosahedral [Au<sub>24</sub>Pd(PPh<sub>3</sub>)<sub>10</sub>(SC<sub>2</sub>H<sub>4</sub>Ph)<sub>5</sub>Cl<sub>2</sub>]<sup>+</sup> nanocluster: selective synthesis and optical and electrochemical properties.","Nanoscale","2018","10","40","18969","18979","10.1039/c8nr04078h","","x-ray","1.54184","CuKα","","0.0489","0.0416","","","0.1158","0.1195","","","","","","1.072","","","","has coordinates,has disorder","227885","2020-10-21","18:00:00",""
"1554592","7.1336","0.0012","7.3556","0.0013","13.246","0.002","90","","102.455","0.004","90","","678.7","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","Agnestin B","","","- C15 H14 O7 -","- C15 H14 O7 -","- C30 H28 O14 -","2","1","","Szwalbe, Agnieszka J.; Williams, Katherine; Song, Zhongshu; de Mattos-Shipley, Kate; Vincent, Jason L.; Bailey, Andrew M.; Willis, Christine L.; Cox, Russell J.; Simpson, Thomas J.","Characterisation of the biosynthetic pathway to agnestins A and B reveals the reductive route to chrysophanol in fungi.","Chemical science","2019","10","1","233","238","10.1039/c8sc03778g","","","1.54178","CuKα","","0.0493","0.0491","","","0.1336","0.1338","","","","","","1.094","","","","has coordinates","237405","2020-10-21","18:00:00",""
"1554593","7.4082","0.0014","7.9771","0.0015","43.956","0.008","90","","90","","90","","2597.6","0.8","173.15","","173.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 O6.5 -","- C15 H13 O6.5 -","- C120 H104 O52 -","8","2","","Szwalbe, Agnieszka J.; Williams, Katherine; Song, Zhongshu; de Mattos-Shipley, Kate; Vincent, Jason L.; Bailey, Andrew M.; Willis, Christine L.; Cox, Russell J.; Simpson, Thomas J.","Characterisation of the biosynthetic pathway to agnestins A and B reveals the reductive route to chrysophanol in fungi.","Chemical science","2019","10","1","233","238","10.1039/c8sc03778g","","","1.54178","CuKα","","0.0288","0.0287","","","0.0773","0.0775","","","","","","1.069","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1554594","34.3297","0.0007","34.3297","0.0007","34.3297","0.0007","90","","90","","90","","40458.5","1.4","180","2","180","2","","","","","","","","7","F -4 3 c","F -4a 2 3","219","","","","- C152 H144 Cd4 F24 N28 O24 S8 -","- C144 H144 Cd4 N28 -","- C1152 H1152 Cd32 N224 -","8","0.0833333","","Percástegui, Edmundo G; Mosquera, Jesús; Ronson, Tanya K.; Plajer, Alex J.; Kieffer, Marion; Nitschke, Jonathan R.","Waterproof architectures through subcomponent self-assembly.","Chemical science","2019","10","7","2006","2018","10.1039/c8sc05085f","","","1.54178","CuKα","","0.0445","0.04","","","0.1062","0.1103","","","","","","1.043","","","","has coordinates,has disorder","237408","2020-10-21","18:00:00",""
"1554595","34.257","0.007","18.552","0.004","54.149","0.011","90","","97.09","0.03","90","","34150","12","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C160.5 H126.25 B3 F27 N29.25 Ni4 O15.25 S5 -","- C160.5 H126.25 B3 F27 N29.25 Ni4 O15.25 S5 -","- C1284 H1010 B24 F216 N234 Ni32 O122 S40 -","8","1","","Percástegui, Edmundo G; Mosquera, Jesús; Ronson, Tanya K.; Plajer, Alex J.; Kieffer, Marion; Nitschke, Jonathan R.","Waterproof architectures through subcomponent self-assembly.","Chemical science","2019","10","7","2006","2018","10.1039/c8sc05085f","","","0.6889","Synchrotron","","0.107","0.0817","","","0.2556","0.2765","","","","","","1.075","","","","has coordinates,has disorder","237408","2020-10-21","18:00:00",""
"1554596","14.93","0.002","14.93","0.002","68.868","0.014","90","","90","","120","","13294","4","100","2","100","2","","","","","","","","9","R -3 :H","-R 3","148","","","","- C78.83 H76.5 F17.5 K0.83 N15.5 O11.5 S3.83 Sb Zn2 -","- C78.147 H76.5 F16.1913 K0.842 N15.5 O9.441 S3.147 Sb0.9608 Zn2 -","- C468.882 H459 F97.1478 K5.052 N93 O56.646 S18.882 Sb5.7648 Zn12 -","6","0.333333","","Percástegui, Edmundo G; Mosquera, Jesús; Ronson, Tanya K.; Plajer, Alex J.; Kieffer, Marion; Nitschke, Jonathan R.","Waterproof architectures through subcomponent self-assembly.","Chemical science","2019","10","7","2006","2018","10.1039/c8sc05085f","","","0.6889","Synchrotron","","0.0566","0.0516","","","0.16","0.1639","","","","","","1.132","","","","has coordinates,has disorder","237408","2020-10-21","18:00:00",""
"1554597","26.441","0.003","26.441","0.003","26.441","0.003","90","","90","","90","","18486","4","100","2","100","2","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C153 H132 Cd4 F69 N32 O3 S Sb7 -","- C153 H132 Cd4 F68.9991 N32 O2.9997 S0.9999 Sb6.9999 -","- C612 H527.999 Cd16 F275.996 N128 O11.9988 S3.9996 Sb27.9996 -","4","0.333333","","Percástegui, Edmundo G; Mosquera, Jesús; Ronson, Tanya K.; Plajer, Alex J.; Kieffer, Marion; Nitschke, Jonathan R.","Waterproof architectures through subcomponent self-assembly.","Chemical science","2019","10","7","2006","2018","10.1039/c8sc05085f","","","0.6889","Synchrotron","","0.0702","0.0654","","","0.1921","0.1983","","","","","","1.024","","","","has coordinates,has disorder","237408","2020-10-21","18:00:00",""
"1554598","34.21","0.005","34.21","0.005","27.215","0.005","90","","90","","90","","31850","9","100","2","100","2","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C531.5 H392.25 F48 N82.25 Ni8 O53.25 S16 Zn6 -","- C524.876 H388.726 F28.2 N82.25 Ni8 O33.45 S9.4 Zn6 -","- C1049.75 H777.452 F56.4 N164.5 Ni16 O66.9 S18.8 Zn12 -","2","0.25","","Percástegui, Edmundo G; Mosquera, Jesús; Ronson, Tanya K.; Plajer, Alex J.; Kieffer, Marion; Nitschke, Jonathan R.","Waterproof architectures through subcomponent self-assembly.","Chemical science","2019","10","7","2006","2018","10.1039/c8sc05085f","","","0.6889","Synchrotron","","0.1394","0.121","","","0.3372","0.3532","","","","","","1.053","","","","has coordinates,has disorder","237408","2020-10-21","18:00:00",""
"1554599","32.3977","0.0013","31.639","0.0013","22.0583","0.0009","90","","123.314","0.002","90","","18894.9","1.4","180","2","180","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C70.5 H64.5 F19.5 N15.5 O4.5 S1.5 Sb2.5 Zn2 -","- C69.865 H63 F17.625 N15.495 O2.625 S0.875 Sb2.5 Zn2 -","- C558.92 H504 F141 N123.96 O21 S7 Sb20 Zn16 -","8","2","","Percástegui, Edmundo G; Mosquera, Jesús; Ronson, Tanya K.; Plajer, Alex J.; Kieffer, Marion; Nitschke, Jonathan R.","Waterproof architectures through subcomponent self-assembly.","Chemical science","2019","10","7","2006","2018","10.1039/c8sc05085f","","","1.54178","CuKα","","0.0992","0.0751","","","0.1957","0.2177","","","","","","1.036","","","","has coordinates,has disorder","237408","2020-10-21","18:00:00",""
"1554600","34.3","0.005","34.3","0.005","27.428","0.006","90","","90","","90","","32269","10","100","2","100","2","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C543 H406 Co8 F48 N83.5 O53.75 S16 Zn6 -","- C538.8 H401.5 Co8 F35.4 N83.5 O41.15 S11.8 Zn6 -","- C1077.6 H803 Co16 F70.8 N167 O82.3 S23.6 Zn12 -","2","0.25","","Percástegui, Edmundo G; Mosquera, Jesús; Ronson, Tanya K.; Plajer, Alex J.; Kieffer, Marion; Nitschke, Jonathan R.","Waterproof architectures through subcomponent self-assembly.","Chemical science","2019","10","7","2006","2018","10.1039/c8sc05085f","","","0.6889","Synchrotron","","0.1197","0.1019","","","0.3039","0.3215","","","","","","1.078","","","","has coordinates,has disorder","237408","2020-10-21","18:00:00",""
"1554601","17.4073","0.0007","15.531","0.0004","33.3439","0.0015","90","","114.157","0.005","90","","8225.2","0.6","170","2","170","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H73 Ca I N11 O4 U -","- C65 H73 Ca I N11 O4 U -","- C260 H292 Ca4 I4 N44 O16 U4 -","4","1","","Zegke, Markus; Zhang, Xiaobin; Pidchenko, Ivan; Hlina, Johann A.; Lord, Rianne M.; Purkis, Jamie; Nichol, Gary S.; Magnani, Nicola; Schreckenbach, Georg; Vitova, Tonya; Love, Jason B.; Arnold, Polly L.","Differential uranyl(v) oxo-group bonding between the uranium and metal cations from groups 1, 2, 4, and 12; a high energy resolution X-ray absorption, computational, and synthetic study","Chemical Science","2019","10","42","9740","","10.1039/C8SC05717F","","","0.71073","MoKα","","0.1315","0.1207","","","0.2758","0.2816","","","","","","0.87","","","","has coordinates","237415","2020-10-21","18:00:00",""
"1554602","13.6821","0.0002","21.8875","0.0003","24.244","0.0003","90","","90","","90","","7260.28","0.17","170","2","170.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C77 H77 N15 O2 Rb U -","- C77 H77 N15 O2 Rb U -","- C308 H308 N60 O8 Rb4 U4 -","4","1","","Zegke, Markus; Zhang, Xiaobin; Pidchenko, Ivan; Hlina, Johann A.; Lord, Rianne M.; Purkis, Jamie; Nichol, Gary S.; Magnani, Nicola; Schreckenbach, Georg; Vitova, Tonya; Love, Jason B.; Arnold, Polly L.","Differential uranyl(v) oxo-group bonding between the uranium and metal cations from groups 1, 2, 4, and 12; a high energy resolution X-ray absorption, computational, and synthetic study","Chemical Science","2019","10","42","9740","","10.1039/C8SC05717F","","x-ray","0.71073","MoKα","","0.0281","0.0247","","","0.0527","0.0538","","","","","","1.051","","","","has coordinates","237415","2020-10-21","18:00:00",""
"1554603","13.273","0.0001","16.4368","0.0001","27.8646","0.0002","90","","90","","90","","6079.1","0.07","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C62 H62 I N12 O2 U Zn -","- C62 H62 I N12 O2 U Zn -","- C248 H248 I4 N48 O8 U4 Zn4 -","4","1","","Zegke, Markus; Zhang, Xiaobin; Pidchenko, Ivan; Hlina, Johann A.; Lord, Rianne M.; Purkis, Jamie; Nichol, Gary S.; Magnani, Nicola; Schreckenbach, Georg; Vitova, Tonya; Love, Jason B.; Arnold, Polly L.","Differential uranyl(v) oxo-group bonding between the uranium and metal cations from groups 1, 2, 4, and 12; a high energy resolution X-ray absorption, computational, and synthetic study","Chemical Science","2019","10","42","9740","","10.1039/C8SC05717F","","","1.54184","CuKα","","0.0216","0.0202","","","0.0468","0.0473","","","","","","0.9","","","","has coordinates","237415","2020-10-21","18:00:00",""
"1554604","20.517","0.005","21.431","0.005","19.018","0.005","90","0.005","117.115","0.005","90","0.005","7443","3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C87 H87 Cl N9 O2 Ti U -","- C87 H87 Cl N9 O2 Ti U -","- C348 H348 Cl4 N36 O8 Ti4 U4 -","4","1","","Zegke, Markus; Zhang, Xiaobin; Pidchenko, Ivan; Hlina, Johann A.; Lord, Rianne M.; Purkis, Jamie; Nichol, Gary S.; Magnani, Nicola; Schreckenbach, Georg; Vitova, Tonya; Love, Jason B.; Arnold, Polly L.","Differential uranyl(v) oxo-group bonding between the uranium and metal cations from groups 1, 2, 4, and 12; a high energy resolution X-ray absorption, computational, and synthetic study","Chemical Science","2019","10","42","9740","","10.1039/C8SC05717F","","x-ray","0.71073","MoKα","","0.0506","0.0355","","","0.074","0.08","","","","","","0.918","","","","has coordinates","237415","2020-10-21","18:00:00",""
"1554605","47.424","0.005","14.484","0.005","30.602","0.005","90","0.005","127.576","0.005","90","0.005","16659","7","170","2","170","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C86.48 H86.48 Cl3 Mg N15 O2 U Zr -","- C86.48 H86.48 Cl3 Mg N15 O2 U Zr -","- C691.84 H691.84 Cl24 Mg8 N120 O16 U8 Zr8 -","8","1","","Zegke, Markus; Zhang, Xiaobin; Pidchenko, Ivan; Hlina, Johann A.; Lord, Rianne M.; Purkis, Jamie; Nichol, Gary S.; Magnani, Nicola; Schreckenbach, Georg; Vitova, Tonya; Love, Jason B.; Arnold, Polly L.","Differential uranyl(v) oxo-group bonding between the uranium and metal cations from groups 1, 2, 4, and 12; a high energy resolution X-ray absorption, computational, and synthetic study","Chemical Science","2019","10","42","9740","","10.1039/C8SC05717F","","","0.71073","MoKα","","0.1889","0.0965","","","0.166","0.2032","","","","","","1.014","","","","has coordinates","237415","2020-10-21","18:00:00",""
"1554606","28.7327","0.0005","22.93","0.0003","24.8036","0.0003","90","","102.077","0.0013","90","","15979.9","0.4","120","2","120","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C57 H57 Cl N11 O2 U Zn -","- C57 H57 Cl N11 O2 U Zn -","- C456 H456 Cl8 N88 O16 U8 Zn8 -","8","1","","Zegke, Markus; Zhang, Xiaobin; Pidchenko, Ivan; Hlina, Johann A.; Lord, Rianne M.; Purkis, Jamie; Nichol, Gary S.; Magnani, Nicola; Schreckenbach, Georg; Vitova, Tonya; Love, Jason B.; Arnold, Polly L.","Differential uranyl(v) oxo-group bonding between the uranium and metal cations from groups 1, 2, 4, and 12; a high energy resolution X-ray absorption, computational, and synthetic study","Chemical Science","2019","10","42","9740","","10.1039/C8SC05717F","","","1.54184","CuKα","","0.1055","0.0983","","","0.2329","0.2365","","","","","","1.142","","","","has coordinates","237415","2020-10-21","18:00:00",""
"1554607","20.2769","0.0012","21.7767","0.001","18.5794","0.0011","90","","115.829","0.007","90","","7384.4","0.8","170","2","170","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C82 H86 Cl N12 O3 U Zr -","- C82 H86 Cl N12 O3 U Zr -","- C328 H344 Cl4 N48 O12 U4 Zr4 -","4","1","","Zegke, Markus; Zhang, Xiaobin; Pidchenko, Ivan; Hlina, Johann A.; Lord, Rianne M.; Purkis, Jamie; Nichol, Gary S.; Magnani, Nicola; Schreckenbach, Georg; Vitova, Tonya; Love, Jason B.; Arnold, Polly L.","Differential uranyl(v) oxo-group bonding between the uranium and metal cations from groups 1, 2, 4, and 12; a high energy resolution X-ray absorption, computational, and synthetic study","Chemical Science","2019","10","42","9740","","10.1039/C8SC05717F","","","0.71073","MoKα","","0.0992","0.0717","","","0.1606","0.1783","","","","","","1.089","","","","has coordinates","237415","2020-10-21","18:00:00",""
"1554608","24.852","0.005","23.01","0.005","28.754","0.005","90","0.005","102.183","0.005","90","0.005","16073","6","120","2","120","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C87 H87 Cl Mg N17 O2 U -","- C87.5 H87.5 Cl Mg N16.5 O2 U -","- C700 H700 Cl8 Mg8 N132 O16 U8 -","8","1","","Zegke, Markus; Zhang, Xiaobin; Pidchenko, Ivan; Hlina, Johann A.; Lord, Rianne M.; Purkis, Jamie; Nichol, Gary S.; Magnani, Nicola; Schreckenbach, Georg; Vitova, Tonya; Love, Jason B.; Arnold, Polly L.","Differential uranyl(v) oxo-group bonding between the uranium and metal cations from groups 1, 2, 4, and 12; a high energy resolution X-ray absorption, computational, and synthetic study","Chemical Science","2019","10","42","9740","","10.1039/C8SC05717F","","","1.5418","CuKα","","0.0365","0.0295","","","0.0698","0.0735","","","","","","0.922","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1554609","27.7671","0.0004","27.7671","0.0004","35.7644","0.0005","90","","90","","120","","23880.5","0.6","120","0.1","120","0.1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C312 H312 Cs6 N60 O12 U6 -","- C312 H312 Cs6 N60 O12 U6 -","- C936 H936 Cs18 N180 O36 U18 -","3","0.166667","","Zegke, Markus; Zhang, Xiaobin; Pidchenko, Ivan; Hlina, Johann A.; Lord, Rianne M.; Purkis, Jamie; Nichol, Gary S.; Magnani, Nicola; Schreckenbach, Georg; Vitova, Tonya; Love, Jason B.; Arnold, Polly L.","Differential uranyl(v) oxo-group bonding between the uranium and metal cations from groups 1, 2, 4, and 12; a high energy resolution X-ray absorption, computational, and synthetic study","Chemical Science","2019","10","42","9740","","10.1039/C8SC05717F","","x-ray","1.54184","CuKα","","0.0808","0.0658","","","0.1669","0.1764","","","","","","1.027","","","","has coordinates","237415","2020-10-21","18:00:00",""
"1555232","9.5181","0.0002","11.3448","0.0002","18.2344","0.0004","90","","105.143","0.002","90","","1900.6","0.07","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H21 Br Cl N O2 -","- C19 H21 Br Cl N O2 -","- C76 H84 Br4 Cl4 N4 O8 -","4","2","","Monasterolo, Claudio; Müller-Bunz, Helge; Gilheany, Declan G.","Very short highly enantioselective Grignard synthesis of 2,2-disubstituted tetrahydrofurans and tetrahydropyrans.","Chemical science","2019","10","26","6531","6538","10.1039/c9sc00978g","","","1.54184","CuKα","","0.0389","0.0377","","","0.0965","0.0983","","","","","","1.016","","","","has coordinates","238412","2020-10-21","18:00:00",""
"1555234","14.228","0.005","15.407","0.006","16.166","0.006","86.526","0.004","65.199","0.004","85.672","0.004","3206","2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H30 F3 Ir N6 -","- C31 H30 F3 Ir N6 -","- C124 H120 F12 Ir4 N24 -","4","2","","Na, Hanah; Cañada, Louise M; Wen, Zhili; I-Chia Wu, Judy; Teets, Thomas S.","Mixed-carbene cyclometalated iridium complexes with saturated blue luminescence.","Chemical science","2019","10","25","6254","6260","10.1039/c9sc01386e","","","0.71073","MoKα","","0.1509","0.0977","","","0.2345","0.3004","","","","","","1.045","","","","has coordinates","238414","2020-10-21","18:00:00",""
"1555235","27.27","0.008","20.718","0.006","14.832","0.004","90","","116.007","0.003","90","","7531","4","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H34 F3 Ir N6 -","- C39 H34 F3 Ir N6 -","- C312 H272 F24 Ir8 N48 -","8","1","","Na, Hanah; Cañada, Louise M; Wen, Zhili; I-Chia Wu, Judy; Teets, Thomas S.","Mixed-carbene cyclometalated iridium complexes with saturated blue luminescence.","Chemical science","2019","10","25","6254","6260","10.1039/c9sc01386e","","","0.71073","MoKα","","0.1318","0.0882","","","0.1765","0.2105","","","","","","1.078","","","","has coordinates,has disorder","238414","2020-10-21","18:00:00",""
"1555238","12.3523","0.0003","12.3523","0.0003","19.4557","0.001","90","","90","","90","","2968.54","0.18","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C26 H54 N2 O2 Zn2 -","- C26 H54 N2 O2 Zn2 -","- C104 H216 N8 O8 Zn8 -","4","0.5","","Budny-Godlewski, Krzysztof; Justyniak, Iwona; Leszczyński, Michał K; Lewiński, Janusz","Mechanochemical and slow-chemistry radical transformations: a case of diorganozinc compounds and TEMPO.","Chemical science","2019","10","30","7149","7155","10.1039/c9sc01396b","","","0.71073","MoKα","","0.1062","0.0591","","","0.1568","0.2114","","","","","","0.998","","","","has coordinates,has disorder","238417","2020-10-21","18:00:00",""
"1555239","9.4169","0.0003","30.0759","0.0006","10.6586","0.0003","90","","106.582","0.003","90","","2893.2","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 N2 O2 Zn2 -","- C30 H46 N2 O2 Zn2 -","- C120 H184 N8 O8 Zn8 -","4","1","","Budny-Godlewski, Krzysztof; Justyniak, Iwona; Leszczyński, Michał K; Lewiński, Janusz","Mechanochemical and slow-chemistry radical transformations: a case of diorganozinc compounds and TEMPO.","Chemical science","2019","10","30","7149","7155","10.1039/c9sc01396b","","","0.71073","MoKα","","0.0662","0.053","","","0.1196","0.1282","","","","","","1.047","","","","has coordinates","238417","2020-10-21","18:00:00",""
"1555240","10.525","0.0004","22.503","0.0007","12.296","0.0004","90","","95.834","0.001","90","","2897.15","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 N2 O2 Zn -","- C30 H46 N2 O2 Zn -","- C120 H184 N8 O8 Zn4 -","4","1","","Budny-Godlewski, Krzysztof; Justyniak, Iwona; Leszczyński, Michał K; Lewiński, Janusz","Mechanochemical and slow-chemistry radical transformations: a case of diorganozinc compounds and TEMPO.","Chemical science","2019","10","30","7149","7155","10.1039/c9sc01396b","","","0.71073","MoKα","","0.0575","0.0443","","","0.097","0.105","","","","","","1.074","","","","has coordinates","238417","2020-10-21","18:00:00",""
"1555245","20.4519","0.001","8.3981","0.0004","29.0733","0.0012","90","","133.17","0.002","90","","3641.9","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 Cl O3 -","- C21 H19 Cl O3 -","- C168 H152 Cl8 O24 -","8","2","","Yu, Zhunzhun; Li, Yongfeng; Zhang, Peichao; Liu, Lu; Zhang, Junliang","Ligand and counteranion enabled regiodivergent C-H bond functionalization of naphthols with α-aryl-α-diazoesters.","Chemical science","2019","10","26","6553","6559","10.1039/c9sc01657k","","","0.71073","MoKα","","0.0813","0.0497","","","0.1227","0.1453","","","","","","1.018","","","","has coordinates","238422","2020-10-21","18:00:00",""
"1555246","9.2815","0.0013","26.184","0.004","8.2635","0.0013","90","","114.173","0.005","90","","1832.2","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 Br O3 -","- C21 H19 Br O3 -","- C84 H76 Br4 O12 -","4","1","","Yu, Zhunzhun; Li, Yongfeng; Zhang, Peichao; Liu, Lu; Zhang, Junliang","Ligand and counteranion enabled regiodivergent C-H bond functionalization of naphthols with α-aryl-α-diazoesters.","Chemical science","2019","10","26","6553","6559","10.1039/c9sc01657k","","","0.71073","MoKα","","0.1079","0.087","","","0.2372","0.2576","","","","","","1.049","","","","has coordinates","238422","2020-10-21","18:00:00",""
"1555247","8.0324","0.0007","10.4173","0.0009","21.4761","0.0018","90","","98.076","0.003","90","","1779.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 F O3 -","- C21 H19 F O3 -","- C84 H76 F4 O12 -","4","1","","Yu, Zhunzhun; Li, Yongfeng; Zhang, Peichao; Liu, Lu; Zhang, Junliang","Ligand and counteranion enabled regiodivergent C-H bond functionalization of naphthols with α-aryl-α-diazoesters.","Chemical science","2019","10","26","6553","6559","10.1039/c9sc01657k","","","0.71073","MoKα","","0.0718","0.0426","","","0.1036","0.1165","","","","","","1.026","","","","has coordinates","238422","2020-10-21","18:00:00",""
"1555248","11.0083","0.0011","17.6321","0.0017","6.9894","0.0007","90","","98.387","0.003","90","","1342.1","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 O2 -","- C18 H12 O2 -","- C72 H48 O8 -","4","1","","Yu, Zhunzhun; Li, Yongfeng; Zhang, Peichao; Liu, Lu; Zhang, Junliang","Ligand and counteranion enabled regiodivergent C-H bond functionalization of naphthols with α-aryl-α-diazoesters.","Chemical science","2019","10","26","6553","6559","10.1039/c9sc01657k","","","0.71073","MoKα","","0.0571","0.0356","","","0.081","0.0925","","","","","","1.036","","","","has coordinates","238422","2020-10-21","18:00:00",""
"1555250","8.2948","0.0003","9.5359","0.0003","10.0158","0.0003","75.291","0.002","74.899","0.002","86.594","0.002","739.79","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C38 H36 O4 -","2","1","","Lu, Qingquan; Mondal, Shobhan; Cembellín, Sara; Greßies, Steffen; Glorius, Frank","Site-selective C-H activation and regiospecific annulation using propargylic carbonates.","Chemical science","2019","10","26","6560","6564","10.1039/c9sc01703h","","","1.54178","CuKα","","0.0536","0.0412","","","0.1027","0.1113","","","","","","1.065","","","","has coordinates","238424","2020-10-21","18:00:00",""
"1555252","9.6119","0.0005","16.0078","0.0007","12.0749","0.0007","90","","94.068","0.006","90","","1853.23","0.17","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Co0.5 O3 -","- C17 H15 Co0.5 O3 -","- C68 H60 Co2 O12 -","4","1","","Bhunia, Mrinal; Sahoo, Sumeet Ranjan; Shaw, Bikash Kumar; Vaidya, Shefali; Pariyar, Anand; Vijaykumar, Gonela; Adhikari, Debashis; Mandal, Swadhin K.","Storing redox equivalent in the phenalenyl backbone towards catalytic multi-electron reduction.","Chemical science","2019","10","31","7433","7441","10.1039/c9sc02057h","","x-ray","1.54184","CuKα","","0.0608","0.0489","","","0.1398","0.149","","","","","","0.9725","","","","has coordinates","238426","2020-10-21","18:00:00",""
"1555253","7.379","0.0005","14.8543","0.001","16.8845","0.001","90","","90","","90","","1850.7","0.2","99.99","0.1","99.99","0.1","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C13 H8.64 O2 -","- C13 H8.646 O2 -","- C104 H69.168 O16 -","8","1","","Bhunia, Mrinal; Sahoo, Sumeet Ranjan; Shaw, Bikash Kumar; Vaidya, Shefali; Pariyar, Anand; Vijaykumar, Gonela; Adhikari, Debashis; Mandal, Swadhin K.","Storing redox equivalent in the phenalenyl backbone towards catalytic multi-electron reduction.","Chemical science","2019","10","31","7433","7441","10.1039/c9sc02057h","","x-ray","0.71073","MoKα","","0.0526","0.043","","","0.104","0.111","","","","","","1.054","","","","has coordinates,has disorder","238426","2020-10-21","18:00:00",""
"1555255","7.243","0.0017","12.882","0.002","23.908","0.006","90","","90","","90","","2230.7","0.8","250","2","250","","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C12 H14 B2 F8 Fe N6 O2 -","- C12 H14 B2 F8 Fe N6 O2 -","- C48 H56 B8 F32 Fe4 N24 O8 -","4","0.25","","Resines-Urien, Esther; Burzurí, Enrique; Fernandez-Bartolome, Estefania; García García-Tuñón, Miguel Ángel; de la Presa, Patricia; Poloni, Roberta; Teat, Simon J.; Costa, Jose Sanchez","A switchable iron-based coordination polymer toward reversible acetonitrile electro-optical readout.","Chemical science","2019","10","27","6612","6616","10.1039/c9sc02522g","","","0.71073","MoKα","","0.1058","0.0897","","","0.252","0.2711","","","","","","1.056","","","","has coordinates","238428","2020-10-21","18:00:00",""
"1555259","11.4074","0.0005","11.4074","0.0005","11.4074","0.0005","90","","90","","90","","1484.43","0.11","200","","200","","","","","","","","","3","P n -3 :2","-P 2ab 2bc 3","201","","","","- C14 H20 O16.75 -","- C14 H19.9992 O16.7492 -","- C28 H39.9984 O33.4984 -","2","0.0833333","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.0928","0.0859","","","0.2151","0.2255","","","","","","1.196","","","","has coordinates,has disorder","238432","2020-10-21","18:00:00",""
"1555260","16.4008","0.0015","16.4008","0.0015","22.397","0.002","90","","90","","90","","6024.5","0.9","100","","100","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C15 H18 O8.25 -","- C15 H18 O8.25 -","- C240 H288 O132 -","16","1","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.0686","0.0549","","","0.1517","0.1635","","","","","","1.053","","","","has coordinates","238432","2020-10-21","18:00:00",""
"1555261","16.238","0.0002","16.238","0.0002","22.3825","0.0003","90","","90","","90","","5901.65","0.13","100.01","0.1","100","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C60 H72 O24 -","- C60 H72 O24 -","- C240 H288 O96 -","4","0.25","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.0639","0.0511","","","0.1334","0.1421","","","","","","1.064","","","","has coordinates","238432","2020-10-21","18:00:00",""
"1555262","7.3713","0.0011","22.951","0.004","23.585","0.004","90","","90","","90","","3990.1","1.1","200","","200","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- C20 H28.9 O8 -","- C14 O8 -","- C112 O64 -","8","0.25","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.1034","0.0634","","","0.183","0.2143","","","","","","1.039","","","","has coordinates","238432","2020-10-21","18:00:00",""
"1555263","3.596","0.0009","8.934","0.002","17.937","0.004","77.839","0.007","86.729","0.007","88.967","0.007","562.4","0.2","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C9 H10.5 O8.25 -","- C9 H8 O8.25 -","- C18 H16 O16.5 -","2","1","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.147","0.0676","","","0.1598","0.1898","","","","","","0.916","","","","has coordinates,has disorder","238432","2020-10-21","18:00:00",""
"1555264","16.429","0.003","16.429","0.003","7.358","0.0012","90","","90","","90","","1986","0.6","200","","200","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- C20.02 H28.86 O8 -","- C20.032 H16 O8 -","- C80.128 H64 O32 -","4","0.125","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.0842","0.065","","","0.185","0.1993","","","","","","1.135","","","","has coordinates","238432","2020-10-21","18:00:00",""
"1555265","27.254","0.003","16.726","0.0016","6.7365","0.0006","90","","100.207","0.003","90","","3022.2","0.5","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H16 O7 -","- C15 H15.5 O7 -","- C120 H124 O56 -","8","1","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.0943","0.0731","","","0.225","0.2492","","","","","","1.065","","","","has coordinates,has disorder","238432","2020-10-21","18:00:00",""
"1555266","26.075","0.002","16.4837","0.0012","3.6749","0.0003","90","","95.076","0.002","90","","1573.3","0.2","200","","200","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C9 H6 O6 -","- C9 H6 O6 -","- C36 H24 O24 -","4","0.5","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.0547","0.0406","","","0.1101","0.1206","","","","","","1.042","","","","has coordinates","238432","2020-10-21","18:00:00",""
"1555267","26.24","0.005","16.529","0.003","3.7452","0.0007","90","","96.283","0.006","90","","1614.6","0.5","350","","350","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C9 H6 O6 -","- C9 H6 O6 -","- C36 H24 O24 -","4","0.5","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.0622","0.0423","","","0.119","0.1342","","","","","","1.02","","","","has coordinates","238432","2020-10-21","18:00:00",""
"1555268","25.869","0.004","16.419","0.003","3.606","0.0006","90","","93.617","0.004","90","","1528.6","0.4","100","","100","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C9 H6 O13.5 -","- C9 H6 O13.5 -","- C36 H24 O54 -","4","0.5","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.0727","0.0688","","","0.1992","0.2049","","","","","","1.07","","","","has coordinates,has disorder","238432","2020-10-21","18:00:00",""
"1555269","9.1671","0.0017","9.4589","0.0018","9.6179","0.0017","93.22","0.005","116.28","0.005","118.728","0.005","616.2","0.2","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C12 H14 O7 -","- C12 H14 O7 -","- C24 H28 O14 -","2","1","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.0759","0.0486","","","0.1107","0.1203","","","","","","0.912","","","","has coordinates","238432","2020-10-21","18:00:00",""
"1555270","10.5024","0.00006","15.8859","0.00007","16.6093","0.00007","113.726","0.0004","98.448","0.0004","106.802","0.0004","2316.46","0.02","200","","200","","","","","","","","","3","P -1","-P 1","2","","","","- C51 H38 O20 -","- C51 H38 O20 -","- C102 H76 O40 -","2","1","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.6889","","","0.0559","0.0429","","","0.1345","0.1429","","","","","","1.1","","","","has coordinates","238432","2020-10-21","18:00:00",""
"1555271","25.768","0.004","16.425","0.002","3.6006","0.0005","90","","93.333","0.004","90","","1521.3","0.4","100","","100","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C9 H16.75 O11.38 -","- C9 H6 O11.375 -","- C36 H24 O45.5 -","4","0.5","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.1014","0.0887","","","0.2374","0.2458","","","","","","1.785","","","","has coordinates,has disorder","238432","2020-10-21","18:00:00",""
"1555272","16.523","0.0016","16.523","0.0016","19.4","0.002","90","","90","","120","","4586.8","0.8","100","","100","","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C18 H12 O20 -","- C18 H12 O20 -","- C108 H72 O120 -","6","1","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.1344","0.0777","","","0.1893","0.2266","","","","","","0.981","","","","has coordinates,has disorder","238432","2020-10-21","18:00:00",""
"1555273","11.4331","0.0008","11.4331","0.0008","11.4312","0.0008","90","","90","","90","","1494.24","0.18","200","","200","","","","","","","","","3","P 42/n n m :2","-P 4ac 2bc","134","","","","- C14 H20 O25.5 -","- C14 H19.9996 O25.4992 -","- C28 H39.9992 O50.9984 -","2","0.125","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.086","0.076","","","0.1852","0.2009","","","","","","1.142","","","","has coordinates,has disorder","238432","2020-10-21","18:00:00",""
"1555274","16.5141","0.0006","16.5141","0.0006","9.7096","0.0004","90","","90","","120","","2293.2","0.15","100","","100","","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- C9 H10 O8 -","- C9 H6 O8 -","- C54 H36 O48 -","6","1","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.074","0.0638","","","0.2062","0.2217","","","","","","1.062","","","","has coordinates,has disorder","238432","2020-10-21","18:00:00",""
"1555275","19.0126","0.0017","9.6004","0.0008","27.383","0.002","90","","90.563","0.002","90","","4997.9","0.7","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 O7 -","- C12 H14 O7 -","- C192 H224 O112 -","16","2","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.0687","0.0564","","","0.1501","0.1624","","","","","","1.036","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1555282","15.092","0.0012","15.092","0.0012","98.494","0.007","90","","90","","90","","22434","3","173","2","173.15","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","","","- C57 H28 O16 Zr3 -","- C63 O16 Zr3 -","- C504 O128 Zr24 -","8","0.25","","Zhang, Yingmu; Pang, Jiandong; Li, Jialuo; Yang, Xinyu; Feng, Mingbao; Cai, Peiyu; Zhou, Hong-Cai","Visible-light harvesting pyrene-based MOFs as efficient ROS generators","Chemical Science","2019","10","36","8455","","10.1039/C9SC03080H","","","1.54184","CuKα","","0.1655","0.1121","","","0.319","0.3561","","","","","","1.056","","","","has coordinates","238434","2020-10-21","18:00:00",""
"1555285","10.994","0.006","13.807","0.007","23.317","0.01","90","","97.29","0.03","90","","3511","3","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H39 Mo N P2 -","- C37 H39 Mo N P2 -","- C148 H156 Mo4 N4 P8 -","4","1","","Álvarez, María; Galindo, Agustín; Pérez, Pedro J.; Carmona, Ernesto","Molybdenum and tungsten complexes with carbon dioxide and ethylene ligands","Chemical Science","2019","10","37","8541","","10.1039/C9SC03225H","","x-ray","0.71073","MoKα","","0.0422","0.031","","","0.065","0.0683","","","","","","1.03","","","","has coordinates","238437","2020-10-21","18:00:00",""
"1555286","13.5747","0.0004","14.527","0.0004","15.6334","0.0005","90","","103.04","0.002","90","","3003.4","0.16","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H39 N P2 W -","- C37 H39 N P2 W -","- C148 H156 N4 P8 W4 -","4","1","","Álvarez, María; Galindo, Agustín; Pérez, Pedro J.; Carmona, Ernesto","Molybdenum and tungsten complexes with carbon dioxide and ethylene ligands","Chemical Science","2019","10","37","8541","","10.1039/C9SC03225H","","x-ray","0.71073","MoKα","","0.0467","0.0301","","","0.0579","0.0642","","","","","","1.047","","","","has coordinates","238437","2020-10-21","18:00:00",""
"1555287","11.1529","0.001","12.0142","0.0012","14.645","0.0015","100.12","0.004","101.056","0.004","90.987","0.004","1893.3","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H47 Mo N O4 P2 -","- C43 H47 Mo N O4 P2 -","- C86 H94 Mo2 N2 O8 P4 -","2","1","","Álvarez, María; Galindo, Agustín; Pérez, Pedro J.; Carmona, Ernesto","Molybdenum and tungsten complexes with carbon dioxide and ethylene ligands","Chemical Science","2019","10","37","8541","","10.1039/C9SC03225H","","x-ray","0.71073","MoKα","","0.0472","0.0399","","","0.1047","0.1098","","","","","","1.044","","","","has coordinates,has disorder","238437","2020-10-21","18:00:00",""
"1555288","35.714","0.003","16.098","0.0013","15.0574","0.0012","90","","111.571","0.002","90","","8050.6","1.1","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H39 Cl4 N O2 P2 W -","- C38 H39 Cl4 N O2 P2 W -","- C304 H312 Cl32 N8 O16 P16 W8 -","8","1","","Álvarez, María; Galindo, Agustín; Pérez, Pedro J.; Carmona, Ernesto","Molybdenum and tungsten complexes with carbon dioxide and ethylene ligands","Chemical Science","2019","10","37","8541","","10.1039/C9SC03225H","","x-ray","0.71073","MoKα","","0.0804","0.0677","","","0.1481","0.156","","","","","","1.192","","","","has coordinates","238437","2020-10-21","18:00:00",""
"1555289","13.1562","0.0007","14.2402","0.0007","21.7973","0.0012","74.258","0.002","74.58","0.002","65.252","0.002","3514.9","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H43 Mo N O2 P2 -","- C43 H43 Mo N O2 P2 -","- C172 H172 Mo4 N4 O8 P8 -","4","2","","Álvarez, María; Galindo, Agustín; Pérez, Pedro J.; Carmona, Ernesto","Molybdenum and tungsten complexes with carbon dioxide and ethylene ligands","Chemical Science","2019","10","37","8541","","10.1039/C9SC03225H","","x-ray","0.71073","MoKα","","0.0595","0.0431","","","0.105","0.116","","","","","","1.055","","","","has coordinates","238437","2020-10-21","18:00:00",""
"1555290","11.1247","0.0005","11.9967","0.0006","14.6407","0.0007","100.37","0.002","100.905","0.002","90.773","0.002","1885.03","0.16","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H47 N O4 P2 W -","- C43 H47 N O4 P2 W -","- C86 H94 N2 O8 P4 W2 -","2","1","","Álvarez, María; Galindo, Agustín; Pérez, Pedro J.; Carmona, Ernesto","Molybdenum and tungsten complexes with carbon dioxide and ethylene ligands","Chemical Science","2019","10","37","8541","","10.1039/C9SC03225H","","x-ray","0.71073","MoKα","","0.0275","0.0238","","","0.0557","0.0577","","","","","","1.093","","","","has coordinates,has disorder","238437","2020-10-21","18:00:00",""
"1555292","9.501","0.003","16.731","0.005","9.633","0.002","90","","99.37","0.03","90","","1510.8","0.7","295.5","0.2","295.5","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 F3 O2 -","- C18 H13 F3 O2 -","- C72 H52 F12 O8 -","4","1","","Wen, Si; Lv, Weiwei; Ba, Dan; Liu, Jing; Cheng, Guolin","Ruthenium(ii)-catalyzed chemoselective deacylative annulation of 1,3-diones with sulfoxonium ylides via C‒C bond activation","Chemical Science","2019","10","39","9104","","10.1039/C9SC03245B","","x-ray","0.71073","MoKα","","0.1319","0.0932","","","0.2108","0.2718","","","","","","0.971","","","","has coordinates,has disorder","238439","2020-10-21","18:00:00",""
"1556599","13.2313","0.0009","30.795","0.002","18.556","0.0012","90","","94.183","0.002","90","","7540.6","0.9","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C87.5 H82 Ag2 Fe O7.5 P4 -","- C87.5 H82 Ag2 Fe O7.5 P4 -","- C350 H328 Ag8 Fe4 O30 P16 -","4","2","","Liu, Kuan-Guan; Rouhani, Farzaneh; Gao, Xue-Mei; Abbasi-Azad, Mahsa; Li, Jing-Zhe; Hu, Xiu-De; Wang, Wei; Hu, Mao-Lin; Morsali, Ali","Bilateral photocatalytic mechanism of dye degradation by a designed ferrocene-functionalized cluster under natural sunlight","Catalysis Science & Technology","2020","10","3","757","767","10.1039/C9CY02003A","","","0.71073","MoKα","","0.0392","0.0316","","","0.0638","0.0672","","","","","","1.089","","","","has coordinates","274176","2022-03-31","10:10:26",""
"1556600","24.582","0.003","20.281","0.002","40.461","0.005","90","","90","","90","","20172","4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C122.5 H108.5 Cu2 Fe O7 P6 -","- C122.5 H108.5 Cu2 Fe O7 P6 -","- C980 H868 Cu16 Fe8 O56 P48 -","8","1","","Liu, Kuan-Guan; Rouhani, Farzaneh; Gao, Xue-Mei; Abbasi-Azad, Mahsa; Li, Jing-Zhe; Hu, Xiu-De; Wang, Wei; Hu, Mao-Lin; Morsali, Ali","Bilateral photocatalytic mechanism of dye degradation by a designed ferrocene-functionalized cluster under natural sunlight","Catalysis Science & Technology","2020","10","3","757","767","10.1039/C9CY02003A","","","0.71073","MoKα","","0.0809","0.053","","","0.1197","0.1398","","","","","","1.063","","","","has coordinates,has disorder","257224","2020-10-21","18:00:00",""
"1556927","14.7908","0.0009","7.8079","0.0003","27.592","0.001","90","","99.197","0.003","90","","3145.5","0.3","295","2","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H19 I2 N3 Pd -","- C9 H19 I2 N3 Pd -","- C72 H152 I16 N24 Pd8 -","8","1","","Khazipov, Oleg V.; Shevchenko, Maxim A.; Pasyukov, Dmitry V.; Chernenko, Andrey Yu.; Astakhov, Alexander V.; Tafeenko, Victor A.; Chernyshev, Victor M.; Ananikov, Valentine P.","Preventing Pd‒NHC bond cleavage and switching from nano-scale to molecular catalytic systems: amines and temperature as catalyst activators","Catalysis Science & Technology","2020","10","5","1228","1247","10.1039/C9CY02041A","","","1.54186","CuKα","","0.0756","0.0668","","","0.1728","0.1816","","","","","","0.972","","","","has coordinates","257212","2020-10-21","18:00:00",""
"1556928","17.5721","0.0007","12.5994","0.0008","8.4655","0.0004","90","","99.55","0.003","90","","1848.27","0.16","295","2","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H21 I2 N3 Pd -","- C13 H21 I2 N3 Pd -","- C52 H84 I8 N12 Pd4 -","4","1","","Khazipov, Oleg V.; Shevchenko, Maxim A.; Pasyukov, Dmitry V.; Chernenko, Andrey Yu.; Astakhov, Alexander V.; Tafeenko, Victor A.; Chernyshev, Victor M.; Ananikov, Valentine P.","Preventing Pd‒NHC bond cleavage and switching from nano-scale to molecular catalytic systems: amines and temperature as catalyst activators","Catalysis Science & Technology","2020","10","5","1228","1247","10.1039/C9CY02041A","","","1.54186","CuKα","","0.0762","0.0626","","","0.1764","0.1857","","","","","","0.945","","","","has coordinates","257212","2020-10-21","18:00:00",""
"1556929","21.6545","0.0007","8.657","0.0002","20.1671","0.0008","90","","95.408","0.003","90","","3763.8","0.2","295","2","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H17 I2 N3 Pd -","- C15 H17 I2 N3 Pd -","- C120 H136 I16 N24 Pd8 -","8","1","","Khazipov, Oleg V.; Shevchenko, Maxim A.; Pasyukov, Dmitry V.; Chernenko, Andrey Yu.; Astakhov, Alexander V.; Tafeenko, Victor A.; Chernyshev, Victor M.; Ananikov, Valentine P.","Preventing Pd‒NHC bond cleavage and switching from nano-scale to molecular catalytic systems: amines and temperature as catalyst activators","Catalysis Science & Technology","2020","10","5","1228","1247","10.1039/C9CY02041A","","","0.71073","MoKα","","0.0813","0.044","","","0.1011","0.1489","","","","","","1.01","","","","has coordinates","257212","2020-10-21","18:00:00",""
"1556930","9.5333","0.0007","10.964","0.0008","11.3716","0.0007","62.48","0.005","79.571","0.005","67.896","0.005","976.59","0.13","295","2","295","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 I2 N3 Pd -","- C16 H19 I2 N3 Pd -","- C32 H38 I4 N6 Pd2 -","2","1","","Khazipov, Oleg V.; Shevchenko, Maxim A.; Pasyukov, Dmitry V.; Chernenko, Andrey Yu.; Astakhov, Alexander V.; Tafeenko, Victor A.; Chernyshev, Victor M.; Ananikov, Valentine P.","Preventing Pd‒NHC bond cleavage and switching from nano-scale to molecular catalytic systems: amines and temperature as catalyst activators","Catalysis Science & Technology","2020","10","5","1228","1247","10.1039/C9CY02041A","","","1.54186","CuKα","","0.0843","0.0642","","","0.1824","0.2174","","","","","","1.047","","","","has coordinates","257212","2020-10-21","18:00:00",""
"1556931","18.1165","0.0005","18.1165","0.0005","12.8619","0.0011","90","","90","","90","","4221.4","0.4","150","0.1","150","0.1","","","","","","","","4","I -4","I -4","82","","","","- C25 H24 N2 O4 -","- C25 H24 N2 O4 -","- C200 H192 N16 O32 -","8","1","","George, Josemon; Ward, Jas S.; Sherburn, Michael S.","A general synthesis of dendralenes","Chemical Science","2019","10","43","9969","","10.1039/C9SC03976G","","x-ray","1.54184","CuKα","","0.0516","0.0405","","","0.0816","0.0871","","","","","","1.014","","","","has coordinates","246599","2020-10-21","18:00:00",""
"1556932","22.1402","0.0008","6.8047","0.0002","14.236","0.0005","90","","100.71","0.004","90","","2107.4","0.13","150.01","0.1","150.01","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H24.34 N2 O4.17 -","- C25 H24.342 N2 O4.171 -","- C100 H97.368 N8 O16.684 -","4","1","","George, Josemon; Ward, Jas S.; Sherburn, Michael S.","A general synthesis of dendralenes","Chemical Science","2019","10","43","9969","","10.1039/C9SC03976G","","x-ray","0.71073","MoKα","","0.0385","0.0355","","","0.0878","0.0904","","","","","","1.058","","","","has coordinates","246599","2020-10-21","18:00:00",""
"1556933","21.8655","0.0007","6.7309","0.0002","29.0129","0.0008","90","","100.54","0.003","90","","4197.9","0.2","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H24 N2 O4 -","- C25 H24 N2 O4 -","- C200 H192 N16 O32 -","8","1","","George, Josemon; Ward, Jas S.; Sherburn, Michael S.","A general synthesis of dendralenes","Chemical Science","2019","10","43","9969","","10.1039/C9SC03976G","","x-ray","0.71073","MoKα","","0.053","0.0446","","","0.1104","0.1174","","","","","","1.052","","","","has coordinates","246599","2020-10-21","18:00:00",""
"1556934","25.0964","0.0009","15.1544","0.0005","19.7269","0.0007","90","","95.336","0.001","90","","7470","0.5","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Ti3C3@Ih(7)-C80 Ni(OEP)","Ti3C3@Ih(7)-C80 Ni(OEP)","","- C131 H56 N4 Ni Ti3 -","- C131 H56 N4 Ni Ti2.9958 -","- C524 H224 N16 Ni4 Ti11.9832 -","4","0.5","","Yu, Pengyuan; Shen, Wangqiang; Bao, Lipiao; Pan, Changwang; Slanina, Zdenek; Lu, Xing","Trapping an unprecedented Ti3C3 unit inside the icosahedral C80 fullerene: a crystallographic survey","Chemical Science","2019","10","47","10925","","10.1039/C9SC04315B","","","0.6525","synchrotron","","0.1232","0.1079","","","0.2972","0.3105","","","","","","1.068","","","","has coordinates,has disorder","246600","2020-10-21","18:00:00",""
"1556935","7.0287","0.0002","11.0372","0.0003","15.2233","0.0005","76.459","0.001","89.714","0.001","78.323","0.001","1123.27","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H27 N3 O S -","- C26 H27 N3 O S -","- C52 H54 N6 O2 S2 -","2","1","","Hoche, Joscha; Schulz, Alexander; Dietrich, Lysanne Monika; Humeniuk, Alexander; Stolte, Matthias; Schmidt, David; Brixner, Tobias; Würthner, Frank; Mitric, Roland","The origin of the solvent dependence of fluorescence quantum yields in dipolar merocyanine dyes","Chemical Science","2019","10","48","11013","","10.1039/C9SC05012D","","","1.54178","CuKα","","0.0419","0.0368","","","0.0946","0.0981","","","","","","1.044","","","","has coordinates","246601","2020-10-21","18:00:00",""
"1556936","6.5464","0.0002","17.3658","0.0006","21.0198","0.0007","90","","96.37","0.001","90","","2374.85","0.14","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C21 H25 B F5 N O P S -","- C21 H25 B F5 N O P S -","- C84 H100 B4 F20 N4 O4 P4 S4 -","4","2","","Qiu, Haile; Chen, Xiaofeng; Zhang, Junliang","Design, synthesis and application of a new type of bifunctional Le-Phos in highly enantioselective γ-addition reactions of N-centered nucleophiles to allenoates","Chemical Science","2019","10","45","10510","","10.1039/C9SC04073K","","","0.71073","MoKα","","0.0442","0.0373","","","0.0869","0.0912","","","","","","1.036","","","","has coordinates","246602","2020-10-21","18:00:00",""
"1556937","7.2656","0.0003","9.5413","0.0003","13.0878","0.0004","90","","100.119","0.003","90","","893.18","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O2 S -","- C19 H20 N2 O2 S -","- C38 H40 N4 O4 S2 -","2","1","","Qiu, Haile; Chen, Xiaofeng; Zhang, Junliang","Design, synthesis and application of a new type of bifunctional Le-Phos in highly enantioselective γ-addition reactions of N-centered nucleophiles to allenoates","Chemical Science","2019","10","45","10510","","10.1039/C9SC04073K","","x-ray","1.54184","CuKα","","0.0856","0.0766","","","0.2045","0.2144","","","","","","1.04","","","","has coordinates","246602","2020-10-21","18:00:00",""
"1556938","17.1138","0.0014","6.6266","0.0005","20.6037","0.0016","90","","93.452","0.003","90","","2332.4","0.3","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C21 H26 B F5 N O P S -","- C21 H26 B F5 N O P S -","- C84 H104 B4 F20 N4 O4 P4 S4 -","4","2","","Qiu, Haile; Chen, Xiaofeng; Zhang, Junliang","Design, synthesis and application of a new type of bifunctional Le-Phos in highly enantioselective γ-addition reactions of N-centered nucleophiles to allenoates","Chemical Science","2019","10","45","10510","","10.1039/C9SC04073K","","","0.71073","MoKα","","0.0965","0.0714","","","0.1665","0.18","","","","","","1.081","","","","has coordinates","246602","2020-10-21","18:00:00",""
"1556939","11.4515","0.0002","13.8216","0.0002","13.0859","0.0002","90","","95.239","0.002","90","","2062.56","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 F N O4 -","- C22 H24 F N O4 -","- C88 H96 F4 N4 O16 -","4","1","","Qiu, Haile; Chen, Xiaofeng; Zhang, Junliang","Design, synthesis and application of a new type of bifunctional Le-Phos in highly enantioselective γ-addition reactions of N-centered nucleophiles to allenoates","Chemical Science","2019","10","45","10510","","10.1039/C9SC04073K","","x-ray","1.54184","CuKα","","0.1179","0.1146","","","0.3172","0.3195","","","","","","1.079","","","","has coordinates","246602","2020-10-21","18:00:00",""
"1557055","27.001","0.0012","6.0841","0.0003","25.1455","0.0011","90","","108.298","0.002","90","","3922","0.3","299","2","299","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H21 B Cl2 O2 -","- C20 H21 B Cl2 O2 -","- C160 H168 B8 Cl16 O16 -","8","1","","Rami, Fabian; Bächtle, Franziska; Plietker, Bernd","Hydroboration of internal alkynes catalyzed by FeH(CO)(NO)(PPh3)2: a case of boron-source controlled regioselectivity","Catalysis Science & Technology","2020","10","5","1492","1497","10.1039/C9CY02461A","","","0.71073","MoKα","","0.0628","0.042","","","0.1146","0.1241","","","","","","1.034","","","","has coordinates","265223","2021-05-14","14:10:01",""
"1557056","35.07","0.003","6.2286","0.0007","20.596","0.002","90","","119.212","0.005","90","","3926.8","0.7","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H27 B O2 -","- C22 H27 B O2 -","- C176 H216 B8 O16 -","8","1","","Rami, Fabian; Bächtle, Franziska; Plietker, Bernd","Hydroboration of internal alkynes catalyzed by FeH(CO)(NO)(PPh3)2: a case of boron-source controlled regioselectivity","Catalysis Science & Technology","2020","10","5","1492","1497","10.1039/C9CY02461A","","","0.71073","MoKα","","0.0989","0.0489","","","0.0999","0.1109","","","","","","1.012","","","","has coordinates","265223","2021-05-14","14:10:12",""
"1557057","25.447","0.003","6.3811","0.0008","24.281","0.003","90","","90","","90","","3942.7","0.8","130","2","130","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H27 B O2 -","- C22 H27 B O2 -","- C176 H216 B8 O16 -","8","2","","Rami, Fabian; Bächtle, Franziska; Plietker, Bernd","Hydroboration of internal alkynes catalyzed by FeH(CO)(NO)(PPh3)2: a case of boron-source controlled regioselectivity","Catalysis Science & Technology","2020","10","5","1492","1497","10.1039/C9CY02461A","","","0.71073","MoKα","","0.0574","0.045","","","0.1097","0.1156","","","","","","1.042","","","","has coordinates","265223","2021-05-14","14:10:14",""
"1557058","13.824","0.003","13.824","0.003","40.089","0.008","90","","90","","120","","6635","2","100","2","100","2","","","","","","","","8","P 31 2 1","P 31 2""","152","","","","- C36.5 H57 B Cl F4 N4 P4 Rh -","- C36.5 H57 B Cl F4 N4 P4 Rh -","- C219 H342 B6 Cl6 F24 N24 P24 Rh6 -","6","1","","Cunillera, Anton; de los Bernardos, Miriam Díaz; Urrutigoïty, Martine; Claver, Carmen; Ruiz, Aurora; Godard, Cyril","Efficient synthesis of chiral γ-aminobutyric esters via direct rhodium-catalysed enantioselective hydroaminomethylation of acrylates","Catalysis Science & Technology","2020","10","3","630","634","10.1039/C9CY01797F","","","0.71073","MoKα","","0.0709","0.0567","","","0.14","0.1458","","","","","","1.156","","","","has coordinates,has disorder","257223","2020-10-21","18:00:00",""
"1557059","9.7105","0.0003","14.3281","0.0004","11.2851","0.0003","90","","96.031","0.003","90","","1561.44","0.08","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C27 H42 B Cl2 F4 N2 P2 Rh -","- C27 H42 B Cl2 F4 N2 P2 Rh -","- C54 H84 B2 Cl4 F8 N4 P4 Rh2 -","2","1","","Cunillera, Anton; de los Bernardos, Miriam Díaz; Urrutigoïty, Martine; Claver, Carmen; Ruiz, Aurora; Godard, Cyril","Efficient synthesis of chiral γ-aminobutyric esters via direct rhodium-catalysed enantioselective hydroaminomethylation of acrylates","Catalysis Science & Technology","2020","10","3","630","634","10.1039/C9CY01797F","","","0.7107","MoKα","","0.0533","0.0514","","","0.1669","0.1682","","","","","","1.443","","","","has coordinates","257223","2020-10-21","18:00:00",""
"1557155","26.5998","0.0004","13.18144","0.00015","32.7719","0.0004","90","","104.629","0.0014","90","","11118.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C116 H154 Cl N9 O9 Ti2 -","- C112 H148 Cl N7 O9 Ti2 -","- C448 H592 Cl4 N28 O36 Ti8 -","4","1","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","0.71073","MoKα","","0.0836","0.0646","","","0.1595","0.1677","","","","","","1.087","","","","has coordinates,has disorder","257214","2020-10-21","18:00:00",""
"1557156","11.0509","0.0002","9.6943","0.00018","14.8668","0.0003","90","","108.131","0.002","90","","1513.61","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H44 Cl2 O2 Ti -","- C30 H44 Cl2 O2 Ti -","- C60 H88 Cl4 O4 Ti2 -","2","1","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","0.71073","MoKα","","0.0297","0.0293","","","0.0762","0.0765","","","","","","1.067","","","","has coordinates","257214","2020-10-21","18:00:00",""
"1557157","17.651","0.0002","18.2749","0.0002","19.8507","0.0002","67.4531","0.0011","68.6833","0.0011","73.3966","0.0012","5428.93","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C220 H283 Cl6 N15 O20 Ti6 -","- C220 H283 Cl6 N15 O20 Ti6 -","- C220 H283 Cl6 N15 O20 Ti6 -","1","0.5","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","0.71075","MoKα","","0.0809","0.0744","","","0.2242","0.2307","","","","","","1.036","","","","has coordinates,has disorder","257214","2020-10-21","18:00:00",""
"1557158","17.4371","0.0007","17.7765","0.0004","21.1345","0.0004","100.63","0.002","93.526","0.003","104.426","0.003","6195.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C125 H172.5 Cl N8.5 O9 Ti2 -","- C125 H172.5 Cl N8.5 O9 Ti2 -","- C250 H345 Cl2 N17 O18 Ti4 -","2","1","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","1.54178","CuKα","","0.1417","0.0986","","","0.2587","0.2928","","","","","","1.022","","","","has coordinates,has disorder","257214","2020-10-21","18:00:00",""
"1557159","12.5697","0.0002","18.1183","0.0004","27.5282","0.0003","104.559","0.0015","98.781","0.0013","102.093","0.0018","5792.04","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H164 Cl2 N6 O8 Ti2 -","- C115 H152 Cl2 N3.5 O8 Ti2 -","- C230 H304 Cl4 N7 O16 Ti4 -","2","1","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","1.54178","CuKα","","0.1083","0.0925","","","0.2464","0.2596","","","","","","1.072","","","","has coordinates,has disorder","257214","2020-10-21","18:00:00",""
"1557160","13.9465","0.0002","17.4744","0.0003","23.5392","0.0002","85.6028","0.0011","74.2347","0.0012","74.5316","0.0014","5320.83","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H140 Cl N7 O9 Ti2 -","- C102.6 H131.9 Cl N4.3 O9 Ti2 -","- C205.2 H263.8 Cl2 N8.6 O18 Ti4 -","2","1","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","1.54178","CuKα","","0.0967","0.0936","","","0.2616","0.2645","","","","","","1.093","","","","has coordinates,has disorder","257214","2020-10-21","18:00:00",""
"1557161","16.3253","0.0004","17.3213","0.0003","23.5069","0.0003","102.481","0.002","91.495","0.002","101.593","0.002","6340.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C130.71 H174.42 Cl N2.85 O11.43 Ti2 -","- C130.704 H173.556 Cl N2.8521 O11.432 Ti2 -","- C261.408 H347.113 Cl2 N5.7042 O22.864 Ti4 -","2","1","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","0.71073","MoKα","","0.1361","0.0718","","","0.1777","0.2075","","","","","","1.021","","","","has coordinates,has disorder","257214","2020-10-21","18:00:00",""
"1557162","26.6007","0.0004","13.18235","0.00014","32.7812","0.0005","90","","104.622","0.0017","90","","11122.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C113 H149.5 Cl N7.5 O9 Ti2 -","- C113 H149.5 Cl N7.5 O9 Ti2 -","- C452 H598 Cl4 N30 O36 Ti8 -","4","1","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","0.71073","MoKα","","0.0944","0.0754","","","0.1944","0.2043","","","","","","1.114","","","","has coordinates,has disorder","257214","2020-10-21","18:00:00",""
"1557163","12.14575","0.00013","18.0271","0.0002","21.0909","0.0002","95.2564","0.0009","105.355","0.0009","90.2869","0.0009","4432.27","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H61 Cl N2 O4 Ti -","- C49 H61 Cl N2 O4 Ti -","- C196 H244 Cl4 N8 O16 Ti4 -","4","2","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","1.54178","CuKα","","0.0408","0.0386","","","0.1092","0.1107","","","","","","1.068","","","","has coordinates","257214","2020-10-21","18:00:00",""
"1557164","43.9803","0.0004","12.41683","0.00017","19.4608","0.0002","90","","94.9954","0.001","90","","10587.1","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H72 Cl2 N2 O4 Ti -","- C54 H72 Cl2 N2 O4 Ti -","- C432 H576 Cl16 N16 O32 Ti8 -","8","1","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","1.54178","CuKα","","0.0454","0.0413","","","0.1156","0.1182","","","","","","1.069","","","","has coordinates,has disorder","257214","2020-10-21","18:00:00",""
"1557173","17.31801","0.00012","12.99024","0.0001","19.71788","0.00016","90","","94.4442","0.0007","90","","4422.5","0.06","110","0.1","110","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54.28 H49.13 Ir O0.28 P3 -","- C54.283 H49.132 Ir O0.283 P3 -","- C217.132 H196.528 Ir4 O1.132 P12 -","4","1","","Tickner, Ben J.; Semenova, Olga; Iali, Wissam; Rayner, Peter J.; Whitwood, Adrian C.; Duckett, Simon B.","Optimisation of pyruvate hyperpolarisation using SABRE by tuning the active magnetisation transfer catalyst.","Catalysis science & technology","2020","10","5","1343","1355","10.1039/c9cy02498k","","x-ray","1.54184","CuKα","","0.0237","0.0199","","","0.0458","0.048","","","","","","1.047","","","","has coordinates","254859","2020-10-21","18:00:00",""
"1557174","12.9317","0.0002","16.6","0.0003","25.5365","0.0004","90","","90.2757","0.0013","90","","5481.76","0.16","110","0.1","110","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H68 Cl2 Ir2 N4 O S2 -","- C57 H68 Cl2 Ir2 N4 O S2 -","- C228 H272 Cl8 Ir8 N16 O4 S8 -","4","1","","Tickner, Ben J.; Semenova, Olga; Iali, Wissam; Rayner, Peter J.; Whitwood, Adrian C.; Duckett, Simon B.","Optimisation of pyruvate hyperpolarisation using SABRE by tuning the active magnetisation transfer catalyst.","Catalysis science & technology","2020","10","5","1343","1355","10.1039/c9cy02498k","","x-ray","1.54184","CuKα","","0.0357","0.0299","","","0.0678","0.0712","","","","","","1.036","","","","has coordinates,has disorder","254859","2020-10-21","18:00:00",""
"1557233","6.689","0.003","6.689","0.003","17.403","0.006","90","","90","","120","","674.3","0.5","293","2","293","2","","","","","","","","2","P 32 2 1","P 32 2""","154","","","eliopoulosite","- S8 V7 -","- S8 V7.015 -","- S24 V21.045 -","3","0.5","","Bindi,; Zaccarini,; Ifandi,; Tsikouras,; Stanley,; Garuti,; Mauro,","Grammatikopoulosite, NiVP, a New Phosphide from the Chromitite of the Othrys Ophiolite, Greece","Minerals","2020","10","2","131","","10.3390/min10020131","","","0.71073","MoKα","","0.0537","0.0363","","","0.1681","0.1741","","","","","","0.924","","","","has coordinates","247874","2020-10-21","18:00:00",""
"1557475","8.1042","0.0011","14.3559","0.0018","17.696","0.003","90","","103.077","0.003","90","","2005.4","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N2 O9 Rh2 -","- C16 H22 N2 O9 Rh2 -","- C64 H88 N8 O36 Rh8 -","4","1","","Arakawa, Kazuki; Yano, Natsumi; Imasaki, Nanako; Kohara, Yoshihiro; Yatsushiro, Daiki; Atarashi, Daiki; Handa, Makoto; Kataoka, Yusuke","Coordination-Induced Self-Assembly of a Heteroleptic Paddlewheel-Type Dirhodium Complex","Crystals","2020","10","2","85","","10.3390/cryst10020085","","","0.71075","MoKα","","0.0724","0.065","","","0.148","0.1583","","","","","","1.149","","","","has coordinates","249065","2020-10-21","18:00:00",""
"1557477","4.1328","0.0003","4.1328","0.0003","4.1328","0.0003","90","","90","","90","","70.588","0.009","","","293","2","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Vanadium Nitride","","- N4 V4 -","- N4 V4 -","- N4 V4 -","1","0.00520833","","Sharygin, Victor V.; Ripp, German S.; Yakovlev, Grigoriy A.; Seryotkin, Yurii V.; Karmanov, Nikolai S.; Izbrodin, Ivan A.; Grokhovsky, Victor I.; Khromova, Elena A.","Uakitite, VN, a New Mononitride Mineral from Uakit Iron Meteorite (IIAB)","Minerals","2020","10","2","150","","10.3390/min10020150","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","249072","2020-10-21","18:00:00",""
"1557528","13.126","0.004","25.198","0.007","30.034","0.008","113.698","0.004","101.194","0.004","90.634","0.004","8879","4","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C39 H72 Cd Mo12 N6 O68 P8 Zn2 -","- C39 H54 Cd Mo12 N6 O62 P8 Zn2 -","- C156 H216 Cd4 Mo48 N24 O248 P32 Zn8 -","4","2","","Tian, Xuerui; Zhang, Yaqi; Ma, Yuanyuan; Zhao, Qing; Han, Zhangang","Hourglass-type polyoxometalate-based crystalline materials as efficient cooperating photocatalysts for the reduction of Cr(vi) and oxidation of dyes","Catalysis Science & Technology","2020","10","8","2593","2601","10.1039/D0CY00208A","","","0.71073","MoKα","","0.0798","0.0601","","","0.1644","0.1838","","","","","","1.044","","","","has coordinates","257209","2020-10-21","18:00:00",""
"1557529","21.0842","0.0006","18.3743","0.0005","21.9022","0.0006","90","","100.716","0.003","90","","8337.1","0.4","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 Cd1.2 Co0.8 Mo12 N4 Na4 O69 P8 -","- C26 H24 Cd1.2 Co0.8 Mo12 N4 Na4 O69 P8 -","- C104 H96 Cd4.8 Co3.2 Mo48 N16 Na16 O276 P32 -","4","0.5","","Tian, Xuerui; Zhang, Yaqi; Ma, Yuanyuan; Zhao, Qing; Han, Zhangang","Hourglass-type polyoxometalate-based crystalline materials as efficient cooperating photocatalysts for the reduction of Cr(vi) and oxidation of dyes","Catalysis Science & Technology","2020","10","8","2593","2601","10.1039/D0CY00208A","","","0.71073","MoKα","","0.0494","0.0429","","","0.1165","0.1205","","","","","","1.039","","","","has coordinates,has disorder","257209","2020-10-21","18:00:00",""
"1557530","15.882","0.0018","21.676","0.002","25.338","0.003","90","","94.559","0.002","90","","8695.2","1.6","296","2","296","2","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C65 H116 Al2 Cd2 Mo24 N10 O137 P16 -","- C65 H86 Al2 Cd2 Mo24 N10 O137 P16 -","- C130 H172 Al4 Cd4 Mo48 N20 O274 P32 -","2","1","","Tian, Xuerui; Zhang, Yaqi; Ma, Yuanyuan; Zhao, Qing; Han, Zhangang","Hourglass-type polyoxometalate-based crystalline materials as efficient cooperating photocatalysts for the reduction of Cr(vi) and oxidation of dyes","Catalysis Science & Technology","2020","10","8","2593","2601","10.1039/D0CY00208A","","","0.71073","MoKα","","0.0374","0.0334","","","0.0883","0.0925","","","","","","1.057","","","","has coordinates,has disorder","257209","2020-10-21","18:00:00",""
"1557594","9.5079","0.0007","32.3832","0.0014","13.8528","0.0012","90","","110.045","0.01","90","","4006.9","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Cl2 Co N4 O4 -","- C16 H22 Cl2 Co N4 O4 -","- C128 H176 Cl16 Co8 N32 O32 -","8","2","","Anandababu, Karunanithi; Muthuramalingam, Sethuraman; Velusamy, Marappan; Mayilmurugan, Ramasamy","Single-step benzene hydroxylation by cobalt(ii) catalysts via a cobalt(iii)-hydroperoxo intermediate","Catalysis Science & Technology","2020","10","8","2540","2548","10.1039/C9CY02601K","","","0.71073","MoKα","","0.062","0.05","","","0.1143","0.1215","","","","","","1.073","","","","has coordinates","257208","2020-10-21","18:00:00",""
"1557595","12.2832","0.0008","7.3066","0.0005","22.5865","0.0014","90","","95.779","0.006","90","","2016.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 Cl2 Co N4 O4 -","- C17 H22 Cl2 Co N4 O4 -","- C68 H88 Cl8 Co4 N16 O16 -","4","1","","Anandababu, Karunanithi; Muthuramalingam, Sethuraman; Velusamy, Marappan; Mayilmurugan, Ramasamy","Single-step benzene hydroxylation by cobalt(ii) catalysts via a cobalt(iii)-hydroperoxo intermediate","Catalysis Science & Technology","2020","10","8","2540","2548","10.1039/C9CY02601K","","","0.71073","MoKα","","0.0621","0.0475","","","0.1157","0.1244","","","","","","1.049","","","","has coordinates","257208","2020-10-21","18:00:00",""
"1557596","9.8205","0.0009","14.0434","0.0011","26.706","0.002","90","","90","","90","","3683.1","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H44 B Cl Co N4 -","- C41 B Cl Co N4 -","- C164 B4 Cl4 Co4 N16 -","4","1","","Anandababu, Karunanithi; Muthuramalingam, Sethuraman; Velusamy, Marappan; Mayilmurugan, Ramasamy","Single-step benzene hydroxylation by cobalt(ii) catalysts via a cobalt(iii)-hydroperoxo intermediate","Catalysis Science & Technology","2020","10","8","2540","2548","10.1039/C9CY02601K","","","0.71073","MoKα","","0.0925","0.0828","","","0.2308","0.2458","","","","","","1.111","","","","has coordinates","257208","2020-10-21","18:00:00",""
"1557597","16.0327","0.0009","10.7162","0.0006","22.6792","0.0012","90","","107.025","0.006","90","","3725.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H46 B Cl Co N4 -","- C43 H46 B Cl Co N4 -","- C172 H184 B4 Cl4 Co4 N16 -","4","1","","Anandababu, Karunanithi; Muthuramalingam, Sethuraman; Velusamy, Marappan; Mayilmurugan, Ramasamy","Single-step benzene hydroxylation by cobalt(ii) catalysts via a cobalt(iii)-hydroperoxo intermediate","Catalysis Science & Technology","2020","10","8","2540","2548","10.1039/C9CY02601K","","","0.71073","MoKα","","0.0736","0.0453","","","0.0962","0.1096","","","","","","1.01","","","","has coordinates","257208","2020-10-21","18:00:00",""
"1557658","13.612","0.003","13.537","0.002","14.409","0.003","90","","109.931","0.006","90","","2496.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H46 Cl10 Fe4 N6 O9 -","- C36 H46 Cl10 Fe4 N6 O9 -","- C72 H92 Cl20 Fe8 N12 O18 -","2","0.5","","Karim, Suhana; Chakraborty, Aratrika; Samanta, Debabrata; Zangrando, Ennio; Ghosh, Totan; Das, Debasis","A dinuclear iron complex as an efficient electrocatalyst for homogeneous water oxidation reaction","Catalysis Science & Technology","2020","10","9","2830","2837","10.1039/D0CY00011F","","","0.71073","MoKα","","0.0979","0.0867","","","0.2206","0.2273","","","","","","1.116","","","","has coordinates","257215","2020-10-21","18:00:00",""
"1557659","11.8719","0.0006","16.9617","0.0008","9.4064","0.0005","90","","102.136","0.002","90","","1851.81","0.16","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Cl4 Fe2 N6 O10 -","- C32 H40 Cl4 Fe2 N6 O10 -","- C64 H80 Cl8 Fe4 N12 O20 -","2","0.5","","Karim, Suhana; Chakraborty, Aratrika; Samanta, Debabrata; Zangrando, Ennio; Ghosh, Totan; Das, Debasis","A dinuclear iron complex as an efficient electrocatalyst for homogeneous water oxidation reaction","Catalysis Science & Technology","2020","10","9","2830","2837","10.1039/D0CY00011F","","","0.71073","MoKα","","0.0639","0.0487","","","0.11","0.1185","","","","","","1.04","","","","has coordinates","257215","2020-10-21","18:00:00",""
"1557722","9.437","0.0002","10.4908","0.0003","18.5143","0.0004","96.9776","0.0019","99.2858","0.0019","104.161","0.002","1728.97","0.08","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H46 N4 O6 P2 -","- C36 H46 N4 O6 P2 -","- C72 H92 N8 O12 P4 -","2","1","","Weder, Nicola; Probst, Benjamin; Sévery, Laurent; Fernández-Terán, Ricardo J.; Beckord, Jan; Blacque, Olivier; Tilley, S. David; Hamm, Peter; Osterwalder, Jürg; Alberto, Roger","Mechanistic insights into photocatalysis and over two days of stable H2 generation in electrocatalysis by a molecular cobalt catalyst immobilized on TiO2","Catalysis Science & Technology","2020","10","8","2549","2560","10.1039/D0CY00330A","","x-ray","0.71073","MoKα","","0.0439","0.0387","","","0.0937","0.0974","","","","","","1.018","","","","has coordinates","257210","2020-10-21","18:00:00",""
"1557723","8.1545","0.0003","11.7917","0.0005","16.3115","0.0004","107.981","0.003","96.136","0.003","103.72","0.003","1421.47","0.1","160","1","160","1","","","","","","","","7","P -1","-P 1","2","","","","- C27 H30 Br2 Co N4 O7 S2 -","- C27 H30 Br2 Co N4 O7 S2 -","- C54 H60 Br4 Co2 N8 O14 S4 -","2","1","","Weder, Nicola; Probst, Benjamin; Sévery, Laurent; Fernández-Terán, Ricardo J.; Beckord, Jan; Blacque, Olivier; Tilley, S. David; Hamm, Peter; Osterwalder, Jürg; Alberto, Roger","Mechanistic insights into photocatalysis and over two days of stable H2 generation in electrocatalysis by a molecular cobalt catalyst immobilized on TiO2","Catalysis Science & Technology","2020","10","8","2549","2560","10.1039/D0CY00330A","","x-ray","1.54184","CuKα","","0.0499","0.0412","","","0.1032","0.1077","","","","","","1.03","","","","has coordinates","257210","2020-10-21","18:00:00",""
"1557724","8.0833","0.0001","11.8214","0.0001","13.6272","0.0001","90","","95.751","0.001","90","","1295.61","0.02","160","1","160","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 Br2 Co N4 O4 -","- C26 H28 Br2 Co N4 O4 -","- C52 H56 Br4 Co2 N8 O8 -","2","0.5","","Weder, Nicola; Probst, Benjamin; Sévery, Laurent; Fernández-Terán, Ricardo J.; Beckord, Jan; Blacque, Olivier; Tilley, S. David; Hamm, Peter; Osterwalder, Jürg; Alberto, Roger","Mechanistic insights into photocatalysis and over two days of stable H2 generation in electrocatalysis by a molecular cobalt catalyst immobilized on TiO2","Catalysis Science & Technology","2020","10","8","2549","2560","10.1039/D0CY00330A","","x-ray","1.54184","CuKα","","0.0365","0.0345","","","0.0928","0.0942","","","","","","1.081","","","","has coordinates","257210","2020-10-21","18:00:00",""
"1557744","6.689","0.003","6.689","0.003","17.403","0.006","90","","90","","120","","674.3","0.5","293","2","293","2","","","","","","","","2","P 32 2 1","P 32 2""","154","","","eliopoulosite","- S8 V7 -","- S8 V7.015 -","- S24 V21.045 -","3","0.5","","Bindi, Luca; Zaccarini, Federica; Bonazzi, Paola; Grammatikopoulos, Tassos; Tsikouras, Basilios; Stanley, Chris; Garuti, Giorgio","Eliopoulosite, V7S8, A New Sulfide from the Podiform Chromitite of the Othrys Ophiolite, Greece","Minerals","2020","10","3","245","","10.3390/min10030245","","","0.71073","MoKα","","0.0537","0.0363","","","0.1681","0.1741","","","","","","0.924","","","","has coordinates","250387","2020-10-21","18:00:00",""
"1557789","4.519","0.003","5.503","0.008","4.888","0.002","90","","90.59","0.08","90","","121.5","0.2","","","293","","","","","","","","","2","P 1 2/c 1","-P 2yc","13","Riesite IMA-2015-110","","","- O2 Ti -","- O2 Ti -","- O8 Ti4 -","4","1","","Oliver Tschauner; Chi Ma; Antonio Lanzirotti; Matthew G. Newville","Riesite, a New High Pressure Polymorph of TiO2 from the Ries Impact Structure","Minerals","2020","10","","78","","10.3390/min10010078","powder diffraction","x-ray","0.6199","","","","","","","","","0.078","0.096","","","","","","","","has coordinates","250752","2020-10-21","18:00:00",""
"1557862","18.8949","0.0006","10.1078","0.0004","23.9918","0.0007","90","","90","","90","","4582.1","0.3","110","2","110","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H35 Al N6 -","- C20 H35 Al N6 -","- C160 H280 Al8 N48 -","8","2","","Navarro, Marta; Sánchez-Barba, Luis F.; Garcés, Andrés; Fernández-Baeza, Juan; Fernández, Israel; Lara-Sánchez, Agustín; Rodríguez, Ana M.","Bimetallic scorpionate-based helical organoaluminum complexes for efficient carbon dioxide fixation into a variety of cyclic carbonates","Catalysis Science & Technology","2020","10","10","3265","3278","10.1039/D0CY00593B","","","0.71073","MoKα","","0.0751","0.0463","","","0.0949","0.1064","","","","","","1.003","","","","has coordinates","257207","2020-10-21","18:00:00",""
"1557863","18.637","0.003","9.384","0.0019","26.354","0.004","90","","125.325","0.0012","90","","3760.4","1.1","240","2","240","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33.5 H44 Al2 N6 -","- C33.5 H44 Al2 N6 -","- C134 H176 Al8 N24 -","4","1","","Navarro, Marta; Sánchez-Barba, Luis F.; Garcés, Andrés; Fernández-Baeza, Juan; Fernández, Israel; Lara-Sánchez, Agustín; Rodríguez, Ana M.","Bimetallic scorpionate-based helical organoaluminum complexes for efficient carbon dioxide fixation into a variety of cyclic carbonates","Catalysis Science & Technology","2020","10","10","3265","3278","10.1039/D0CY00593B","","","0.71073","MoKα","","0.2079","0.0827","","","0.2149","0.2845","","","","","","0.983","","","","has coordinates,has disorder","257207","2020-10-21","18:00:00",""
"1557983","8.5663","0.0003","11.0966","0.0004","24.1272","0.0009","90","","98.595","0.001","90","","2267.7","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H33 Br Ir N3 O -","- C23 H33 Br Ir N3 O -","- C92 H132 Br4 Ir4 N12 O4 -","4","1","","González-Lainez, Miguel; Jiménez, M. Victoria; Passarelli, Vincenzo; Pérez-Torrente, Jesús J.","Effective N-methylation of nitroarenes with methanol catalyzed by a functionalized NHC-based iridium catalyst: a green approach to N-methyl amines","Catalysis Science & Technology","2020","10","10","3458","3467","10.1039/D0CY00707B","","","0.71073","MoKα","","0.0313","0.0236","","","0.049","0.0514","","","","","","1.019","","","","has coordinates","257206","2020-10-21","18:00:00",""
"1557984","9.2294","0.0009","11.1211","0.0011","11.892","0.0019","99.157","0.001","110.946","0.002","114.394","0.001","968.3","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H21 Br Ir N3 O3 -","- C17 H21 Br Ir N3 O3 -","- C34 H42 Br2 Ir2 N6 O6 -","2","1","","González-Lainez, Miguel; Jiménez, M. Victoria; Passarelli, Vincenzo; Pérez-Torrente, Jesús J.","Effective N-methylation of nitroarenes with methanol catalyzed by a functionalized NHC-based iridium catalyst: a green approach to N-methyl amines","Catalysis Science & Technology","2020","10","10","3458","3467","10.1039/D0CY00707B","","","0.71073","MoKα","","0.0313","0.029","","","0.0727","0.074","","","","","","1.061","","","","has coordinates,has disorder","257206","2020-10-21","18:00:00",""
"1558004","19.2436","0.0006","5.9999","0.0002","8.8316","0.0003","90","","97.833","0.003","90","","1010.18","0.06","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","shuiskite-(Cr)","","","- Al0.6 Ca2 Cr1.92 H3.48 Mg0.48 O14 Si3 -","- Al0.6 Ca2 Cr1.916 Mg0.484 O14 Si3 -","- Al2.4 Ca8 Cr7.664 Mg1.936 O56 Si12 -","4","0.5","","Lykova, Inna; Varlamov, Dmitry; Chukanov, Nikita; Pekov, Igor; Belakovskiy, Dmitry; Ivanov, Oleg; Zubkova, Natalia; Britvin, Sergey","Chromium Members of the Pumpellyite Group: Shuiskite-(Cr), Ca2CrCr2[SiO4][Si2O6(OH)](OH)2O, a New Mineral, and Shuiskite-(Mg), a New Species Name for Shuiskite","Minerals","2020","10","5","390","","10.3390/min10050390","","","0.71073","MoKα","","0.0644","0.0469","","","0.1033","0.1088","","","","","","1.076","","","","has coordinates","251751","2020-10-21","18:00:00",""
"1558022","13.3705","0.0002","7.2739","0.0001","31.8622","0.0005","90","","90","","90","","3098.78","0.08","170","2","170.02","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H19 N O6 S -","- C15 H19 N O6 S -","- C120 H152 N8 O48 S8 -","8","1","","Wu, Xiao-Yun; Gui, Hou-Ze; Jangra, Harish; Wei, Yin; Zipse, Hendrik; Shi, Min","Phosphine-catalyzed [3 + 2] annulation of 2-aminoacrylates with allenoates and mechanistic studies","Catalysis Science & Technology","2020","10","12","3959","3964","10.1039/D0CY00092B","","","1.34139","GaKα","","0.0351","0.0331","","","0.0861","0.0877","","","","","","1.069","","","","has coordinates","257222","2020-10-21","18:00:00",""
"1558045","9.1084","0.0006","11.7267","0.0007","16.3308","0.0009","85.341","0.002","89.88","0.002","70.285","0.002","1636.05","0.17","100","","100","","","","","","","","see text","7","P -1","-P 1","2","","","","- C23 H22 F9 Fe N10 O9 S3 -","- C23 H22 F9 Fe N10 O9 S3 -","- C46 H44 F18 Fe2 N20 O18 S6 -","2","1","","Dyckhoff, Florian; Schlagintweit, Jonas F.; Reich, Robert M.; Kühn, Fritz E.","Pushing the limits of activity and stability: the effects of Lewis acids on non-heme iron‒NHC epoxidation catalysts","Catalysis Science & Technology","2020","10","11","3532","3536","10.1039/D0CY00631A","","x-ray","0.71073","MoKα","","0.065","0.0635","","","0.1688","0.17","","","","","","1.046","","","","has coordinates","257218","2020-10-21","18:00:00",""
"1558072","14.6069","0.0006","8.871","0.0004","12.0927","0.0008","90","","90.801","0.003","90","","1566.79","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N2 O4 Re -","- C15 H19 N2 O4 Re -","- C60 H76 N8 O16 Re4 -","4","1","","Li, Jing; Lutz, Martin; Klein Gebbink, Robertus J. M.","N,N,O-Coordinated tricarbonylrhenium precatalysts for the aerobic deoxydehydration of diols and polyols","Catalysis Science & Technology","2020","10","11","3782","3788","10.1039/D0CY00618A","","","0.71073","MoKα","","0.0406","0.0354","","","0.0886","0.0913","","","","","","1.054","","","","has coordinates","257219","2020-10-21","18:00:00",""
"1558073","23.927","0.0007","9.4928","0.0003","22.1646","0.0007","90","","106.575","0.002","90","","4825.1","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H35 N2 O4 Re -","- C23 H35 N2 O4 Re -","- C184 H280 N16 O32 Re8 -","8","1","","Li, Jing; Lutz, Martin; Klein Gebbink, Robertus J. M.","N,N,O-Coordinated tricarbonylrhenium precatalysts for the aerobic deoxydehydration of diols and polyols","Catalysis Science & Technology","2020","10","11","3782","3788","10.1039/D0CY00618A","","","0.71073","MoKα","","0.0503","0.0296","","","0.0562","0.0611","","","","","","1.012","","","","has coordinates","257219","2020-10-21","18:00:00",""
"1558074","8.90063","0.00016","11.9803","0.0003","31.8099","0.0007","90","","90","","90","","3391.96","0.13","130","2","130","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H18 N3 O6 Re -","- C15 H18 N3 O6 Re -","- C120 H144 N24 O48 Re8 -","8","1","","Li, Jing; Lutz, Martin; Klein Gebbink, Robertus J. M.","N,N,O-Coordinated tricarbonylrhenium precatalysts for the aerobic deoxydehydration of diols and polyols","Catalysis Science & Technology","2020","10","11","3782","3788","10.1039/D0CY00618A","","","0.71073","MoKα","","0.0402","0.0229","","","0.0403","0.0443","","","","","","1.028","","","","has coordinates","257219","2020-10-21","18:00:00",""
"1558149","20.1441","0.0007","12.2778","0.0004","11.4937","0.0004","90","","92.993","0.001","90","","2838.8","0.17","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Co N2 O10 S2 -","- C28 H24 Co N2 O10 S2 -","- C112 H96 Co4 N8 O40 S8 -","4","0.5","","Yang, Chun; Cai, Wen-Jing; Yu, Bin-Bin; Qiu, Hong; Li, Meng-Li; Zhu, Lian-Wen; Yan, Zheng; Hou, Lei; Wang, Yao-Yu","Performance enhancement of oxygen evolution reaction through incorporating bimetallic electrocatalysts in two-dimensional metal‒organic frameworks","Catalysis Science & Technology","2020","10","12","3897","3903","10.1039/D0CY00567C","","","0.71073","MoKα","","0.0307","0.0273","","","0.0684","0.0712","","","","","","1.054","","","","has coordinates","257221","2020-10-21","18:00:00",""
"1558150","20.1868","0.0004","12.2668","0.0003","11.4817","0.0002","90","","92.862","0.002","90","","2839.64","0.1","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Co0.79 Fe0.21 N2 O10 S2 -","- C28 H24 Co0.79 Fe0.21 N2 O10 S2 -","- C112 H96 Co3.16 Fe0.84 N8 O40 S8 -","4","0.5","","Yang, Chun; Cai, Wen-Jing; Yu, Bin-Bin; Qiu, Hong; Li, Meng-Li; Zhu, Lian-Wen; Yan, Zheng; Hou, Lei; Wang, Yao-Yu","Performance enhancement of oxygen evolution reaction through incorporating bimetallic electrocatalysts in two-dimensional metal‒organic frameworks","Catalysis Science & Technology","2020","10","12","3897","3903","10.1039/D0CY00567C","","","1.54184","CuKα","","0.0341","0.0325","","","0.0878","0.0892","","","","","","0.996","","","","has coordinates","257221","2020-10-21","18:00:00",""
"1558151","20.1616","0.0004","12.1398","0.0004","11.4274","0.0003","90","","92.792","0.001","90","","2793.63","0.13","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Co0.29 N2 Ni0.71 O10 S2 -","- C28 H24 Co0.29 N2 Ni0.71 O10 S2 -","- C112 H96 Co1.16 N8 Ni2.84 O40 S8 -","4","0.5","","Yang, Chun; Cai, Wen-Jing; Yu, Bin-Bin; Qiu, Hong; Li, Meng-Li; Zhu, Lian-Wen; Yan, Zheng; Hou, Lei; Wang, Yao-Yu","Performance enhancement of oxygen evolution reaction through incorporating bimetallic electrocatalysts in two-dimensional metal‒organic frameworks","Catalysis Science & Technology","2020","10","12","3897","3903","10.1039/D0CY00567C","","","0.71073","MoKα","","0.0274","0.0256","","","0.0638","0.0649","","","","","","1.078","","","","has coordinates","257221","2020-10-21","18:00:00",""
"1558164","11.7394","0.0001","14.7656","0.0002","14.6955","0.0002","90","","108.172","0.001","90","","2420.26","0.05","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C16 H29 Cl F6 N2 O P Ru Sb -","- C16 H29 Cl F6 N2 O P Ru Sb -","- C64 H116 Cl4 F24 N8 O4 P4 Ru4 Sb4 -","4","1","","González-Fernández, Rebeca; Álvarez, Daniel; Crochet, Pascale; Cadierno, Victorio; Menéndez, M. Isabel; López, Ramón","Catalytic hydration of cyanamides with phosphinous acid-based ruthenium(ii) and osmium(ii) complexes: scope and mechanistic insights","Catalysis Science & Technology","2020","10","12","4084","4098","10.1039/D0CY00523A","","","1.54184","CuKα","","0.037","0.0323","","","0.0782","0.0816","","","","","","1.03","","","","has coordinates,has disorder","257220","2020-10-21","18:00:00",""
"1558165","8.3717","0.0003","21.574","0.0006","14.8558","0.0006","90","","105.025","0.004","90","","2591.39","0.16","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C17 H31 Cl F6 N2 O P Ru Sb -","- C17 H31 Cl F6 N2 O P Ru Sb -","- C68 H124 Cl4 F24 N8 O4 P4 Ru4 Sb4 -","4","1","","González-Fernández, Rebeca; Álvarez, Daniel; Crochet, Pascale; Cadierno, Victorio; Menéndez, M. Isabel; López, Ramón","Catalytic hydration of cyanamides with phosphinous acid-based ruthenium(ii) and osmium(ii) complexes: scope and mechanistic insights","Catalysis Science & Technology","2020","10","12","4084","4098","10.1039/D0CY00523A","","","1.54184","CuKα","","0.0705","0.0584","","","0.1477","0.1647","","","","","","1.043","","","","has coordinates","257220","2020-10-21","18:00:00",""
"1558193","5.3626","0.0002","5.3626","0.0002","10.5873","0.0005","90","","90","","90","","304.46","0.02","299","2","299","2","","","","","","","","4","I -4 2 m","I -4 2","121","richardsite","","","- Cu Ga S4 Zn2 -","- Cu Ga S4 Zn2 -","- Cu2 Ga2 S8 Zn4 -","2","0.125","","Bindi, Luca; Jaszczak, John A.","Richardsite, Zn2CuGaS4, A New Gallium-Essential Member of the Stannite Group from the Gem Mines near Merelani, Tanzania","Minerals","2020","10","5","467","","10.3390/min10050467","","","0.71073","MoKα","","0.0332","0.0284","","","0.0862","0.0895","","","","","","1.129","","","","has coordinates","252944","2020-10-21","18:00:00",""
"1558270","22.6283","0.0013","8.7736","0.0005","18.5643","0.001","90","","105.17","0.002","90","","3557.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70.98 H100.97 Fe2 N4 O7.98 Ti2 -","- C70.916 H100.82 Fe2 N4 O7.96 Ti2 -","- C141.832 H201.64 Fe4 N8 O15.92 Ti4 -","2","0.5","","Doerr, Alicia M.; Burroughs, Justin M.; Legaux, Nicholas M.; Long, Brian K.","Redox-switchable ring-opening polymerization by tridentate ONN-type titanium and zirconium catalysts","Catalysis Science & Technology","2020","10","19","6501","6510","10.1039/D0CY00642D","","","0.71073","MoKα","","0.0582","0.0496","","","0.1381","0.1468","","","","","","1.027","","","","has coordinates,has disorder","258777","2020-11-06","10:41:22",""
"1558271","22.8642","0.0012","9.1582","0.0005","19.4463","0.001","90","","106.447","0.001","90","","3905.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H57.63 Fe N2 O4 Zr -","- C39 H57.623 Fe N2 O4 Zr -","- C156 H230.492 Fe4 N8 O16 Zr4 -","4","1","","Doerr, Alicia M.; Burroughs, Justin M.; Legaux, Nicholas M.; Long, Brian K.","Redox-switchable ring-opening polymerization by tridentate ONN-type titanium and zirconium catalysts","Catalysis Science & Technology","2020","10","19","6501","6510","10.1039/D0CY00642D","","","0.71073","MoKα","","0.0437","0.0353","","","0.0841","0.0888","","","","","","1.011","","","","has coordinates,has disorder","258777","2020-11-06","10:41:27",""
"1558272","9.0808","0.0008","9.9464","0.0008","21.5037","0.0018","93.147","0.003","91.175","0.003","115.995","0.002","1741","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31.51 H58.93 N2 O4 Zr -","- C31.522 H58.94 N2 O4 Zr -","- C63.044 H117.88 N4 O8 Zr2 -","2","1","","Doerr, Alicia M.; Burroughs, Justin M.; Legaux, Nicholas M.; Long, Brian K.","Redox-switchable ring-opening polymerization by tridentate ONN-type titanium and zirconium catalysts","Catalysis Science & Technology","2020","10","19","6501","6510","10.1039/D0CY00642D","","","0.71073","MoKα","","0.055","0.0459","","","0.1051","0.1102","","","","","","0.918","","","","has coordinates,has disorder","258777","2020-11-06","10:41:27",""
"1558273","26.1034","0.0016","13.6068","0.0008","18.7389","0.0011","90","","90.427","0.002","90","","6655.6","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30.5 H58 N2 O4 Ti -","- C30.5 H57.5 N2 O4 Ti -","- C244 H460 N16 O32 Ti8 -","8","2","","Doerr, Alicia M.; Burroughs, Justin M.; Legaux, Nicholas M.; Long, Brian K.","Redox-switchable ring-opening polymerization by tridentate ONN-type titanium and zirconium catalysts","Catalysis Science & Technology","2020","10","19","6501","6510","10.1039/D0CY00642D","","","0.71073","MoKα","","0.0744","0.0656","","","0.1482","0.1522","","","","","","1.185","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1558490","26.2086","0.0008","27.5599","0.0008","28.9629","0.0008","90","","90","","90","","20920.1","1.1","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C95 H104 B2 Cl2 Co2 F10 O12 P6 -","- C95 H104 B2 Cl2 Co2 F10 O12 P6 -","- C760 H832 B16 Cl16 Co16 F80 O96 P48 -","8","1","","Papa, Veronica; Cabrero-Antonino, Jose R.; Spannenberg, Anke; Junge, Kathrin; Beller, Matthias","Homogeneous cobalt-catalyzed deoxygenative hydrogenation of amides to amines","Catalysis Science & Technology","2020","10","18","6116","6128","10.1039/D0CY01078B","","","1.54178","CuKα","","0.056","0.0509","","","0.1304","0.1345","","","","","","1.028","","","","has coordinates,has disorder","257217","2020-10-21","18:00:00",""
"1558499","22.7973","0.0004","9.9833","0.0002","17.0522","0.0003","90","","99.954","0.002","90","","3822.53","0.12","296","1","296","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Stanfieldite","- Ca7.97 Fe0.56 Mg9.47 O48 P12 -","- Ca7.96 Fe0.566 Mg9.458 O48 P12 -","- Ca31.84 Fe2.264 Mg37.832 O192 P48 -","4","0.5","","Britvin, Sergey N.; Krzhizhanovskaya, Maria G.; Bocharov, Vladimir N.; Obolonskaya, Edita V.","Crystal Chemistry of Stanfieldite, Ca7M2Mg9(PO4)12 (M = Ca, Mg, Fe2+), a Structural Base of Ca3Mg3(PO4)4 Phosphors","Crystals","2020","10","6","464","","10.3390/cryst10060464","","x-ray","0.71073","MoKα","","0.0511","0.0339","","","0.0781","0.082","","","","","","0.921","","","","has coordinates","254013","2020-10-21","18:00:00",""
"1558500","7.8673","0.0005","11.0031","0.0007","11.7131","0.0006","82.325","0.002","89.994","0.002","81.179","0.002","992.76","0.1","100","2","100","","","","","","","","","6","P -1","-P 1","2","4,7-dichloroquinoline copper bromide comp","","","- C36 H20 Br3.77 Cl8 Cu2 N4 -","- C36 H20 Br3.7744 Cl8 Cu2 N4 -","- C36 H20 Br3.7744 Cl8 Cu2 N4 -","1","0.5","","Finocchio, Giada; Rizzato, Silvia; Macetti, Giovanni; Tusha, Gers; Lo Presti, Leonardo","Unravelling the Chemistry of the [Cu(4,7-Dichloroquinoline)2Br2]2 Dimeric Complex through Structural Analysis: A Borderline Ligand Field Case","Crystals","2020","10","6","477","","10.3390/cryst10060477","","","0.71073","MoKα","","0.0339","0.025","","","0.0636","0.0671","","","","","","1.062","","","","has coordinates","254015","2020-10-21","18:00:00",""
"1558501","19.6546","0.0008","17.9133","0.0006","24.0581","0.0011","90","","112.816","0.005","90","","7807.6","0.6","123","2","123","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C18 H13.5 B Cu F4 N6 O0.75 -","- C18 H13.5 B Cu F3.999 N6 O0.75 -","- C288 H216 B16 Cu16 F63.984 N96 O12 -","16","4","","Beveridge, Stuart; McAnally, Craig A.; Nichol, Gary S.; Kennedy, Alan R.; Cussen, Edmund J.; Fletcher, Ashleigh J.","Unexpected Selective Gas Adsorption on a ‘Non-Porous’ Metal Organic Framework","Crystals","2020","10","6","548","","10.3390/cryst10060548","","","0.71073","MoKα","","0.0666","0.051","","","0.1226","0.1341","","","","","","1.037","","","","has coordinates,has disorder","254016","2020-10-21","18:00:00",""
"1558540","7.1672","0.0003","13.7037","0.0005","17.9697","0.0008","90","","90","","90","","1764.93","0.13","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H21 Cl2 N Ru -","- C19 H21 Cl2 N Ru -","- C76 H84 Cl8 N4 Ru4 -","4","1","","Chatterjee, Basujit; Kalsi, Deepti; Kaithal, Akash; Bordet, Alexis; Leitner, Walter; Gunanathan, Chidambaram","One-pot dual catalysis for the hydrogenation of heteroarenes and arenes","Catalysis Science & Technology","2020","10","15","5163","5170","10.1039/D0CY00928H","","x-ray","0.71073","MoKα","","0.0273","0.0232","","","0.0463","0.0477","","","","","","1.06","","","","has coordinates","257216","2020-10-21","18:00:00",""
"1558696","10.1037","0.0006","11.6662","0.0007","23.623","0.0015","90","","97.789","0.002","90","","2758.8","0.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H47 Cl Ir N -","- C30 H47 Cl Ir N -","- C120 H188 Cl4 Ir4 N4 -","4","1","","Zhang, Dejin; Yang, Guoqiang; Zhao, Yue; Shao, Shouyan; Zhu, Guisheng; Liu, Peijun; Liu, Jia; Hu, Xingbang; Zhang, Zhibing","Efficient methanol carbonylation to methyl acetate catalyzed by a cyclic(alkyl)(amino)carbene iridium complex","Catalysis Science & Technology","2020","10","17","6045","6049","10.1039/D0CY00054J","","","1.34139","GaKα","","0.0487","0.0461","","","0.1211","0.1231","","","","","","1.146","","","","has coordinates","257213","2020-10-21","18:00:00",""
"1558697","9.4294","0.0003","15.2306","0.0004","16.4958","0.0005","90","","94.904","0.001","90","","2360.38","0.12","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H35 Cl I0 Ir N O2 -","- C24 H35 Cl Ir N O2 -","- C96 H140 Cl4 Ir4 N4 O8 -","4","1","","Zhang, Dejin; Yang, Guoqiang; Zhao, Yue; Shao, Shouyan; Zhu, Guisheng; Liu, Peijun; Liu, Jia; Hu, Xingbang; Zhang, Zhibing","Efficient methanol carbonylation to methyl acetate catalyzed by a cyclic(alkyl)(amino)carbene iridium complex","Catalysis Science & Technology","2020","10","17","6045","6049","10.1039/D0CY00054J","","","0.71073","MoKα","","0.0245","0.0198","","","0.0469","0.049","","","","","","0.969","","","","has coordinates","257213","2020-10-21","18:00:00",""
"1558795","5.2255","0.0014","19.615","0.005","20.516","0.006","90","","96.921","0.006","90","","2087.5","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-Hydroxy-Pyridine-silver nitrate","","","- C15 H15 Ag3 N6 O12 -","- C15 H15 Ag3 N6 O12 -","- C60 H60 Ag12 N24 O48 -","4","1","","Badr, Ahmed M. A.; Barakat, Assem; Albering, Jörg H.; Sharaf, Mona M.; Ul-Haq, Zaheer; Soliman, Saied M.","Structure, Antimicrobial Activity, Hirshfeld Analysis, and Docking Studies of Three Silver(I) Complexes-Based Pyridine Ligands","Applied Sciences","2020","10","14","4853","","10.3390/app10144853","","","0.71073","MoKα","","0.0475","0.0337","","","0.0818","0.0949","","","","","","1.157","","","","has coordinates","255113","2020-10-21","18:00:00",""
"1558796","8.1664","0.0004","8.4103","0.0004","10.4848","0.0005","70.364","0.001","76.308","0.001","61.128","0.001","591.51","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Ag N3 O5 -","- C10 H10 Ag N3 O5 -","- C20 H20 Ag2 N6 O10 -","2","1","","Badr, Ahmed M. A.; Barakat, Assem; Albering, Jörg H.; Sharaf, Mona M.; Ul-Haq, Zaheer; Soliman, Saied M.","Structure, Antimicrobial Activity, Hirshfeld Analysis, and Docking Studies of Three Silver(I) Complexes-Based Pyridine Ligands","Applied Sciences","2020","10","14","4853","","10.3390/app10144853","","","0.71073","MoKα","","0.0251","0.0246","","","0.0663","0.0668","","","","","","1.094","","","","has coordinates","255114","2020-10-21","18:00:00",""
"1558797","22.493","0.0018","7.8119","0.0007","3.6817","0.0003","90","","91.727","0.003","90","","646.63","0.09","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H10 Ag N3 O5 -","- C12 H10 Ag N3 O5 -","- C24 H20 Ag2 N6 O10 -","2","0.5","","Badr, Ahmed M. A.; Barakat, Assem; Albering, Jörg H.; Sharaf, Mona M.; Ul-Haq, Zaheer; Soliman, Saied M.","Structure, Antimicrobial Activity, Hirshfeld Analysis, and Docking Studies of Three Silver(I) Complexes-Based Pyridine Ligands","Applied Sciences","2020","10","14","4853","","10.3390/app10144853","","","0.71073","MoKα","","0.0192","0.0192","","","0.0448","0.0448","","","","","","1.112","","","","has coordinates","255115","2020-10-21","18:00:00",""
"1559097","8.7417","0.0005","11.0177","0.0006","19.073","0.0011","90","","101.123","0.006","90","","1802.48","0.18","199.9","0.2","199.9","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 N -","- C25 H19 N -","- C100 H76 N4 -","4","1","","Nori, Valeria; Dasgupta, Ayan; Babaahmadi, Rasool; Carlone, Armando; Ariafard, Alireza; Melen, Rebecca L.","Triarylborane catalysed N-alkylation of amines with aryl esters","Catalysis Science & Technology","2020","10","22","7523","7530","10.1039/D0CY01339K","","","0.71073","MoKα","","0.0689","0.0509","","","0.1227","0.1331","","","","","","1.058","","","","has coordinates","259601","2020-12-06","13:07:25",""
"1559098","8.9007","0.0004","11.1893","0.0004","18.1967","0.0007","90","","93.764","0.004","90","","1808.35","0.13","199.9","0.2","199.9","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 F2 N -","- C23 H19 F2 N -","- C92 H76 F8 N4 -","4","1","","Nori, Valeria; Dasgupta, Ayan; Babaahmadi, Rasool; Carlone, Armando; Ariafard, Alireza; Melen, Rebecca L.","Triarylborane catalysed N-alkylation of amines with aryl esters","Catalysis Science & Technology","2020","10","22","7523","7530","10.1039/D0CY01339K","","","0.71073","MoKα","","0.0638","0.0498","","","0.1323","0.1425","","","","","","1.058","","","","has coordinates","259601","2020-12-06","13:07:25",""
"1559113","15.1464","0.0002","16.9612","0.0002","26.1549","0.0002","90","","103.943","0.001","90","","6521.25","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H89 In N2 O3 P2 -","- C65 H89 In N2 O3 P2 -","- C260 H356 In4 N8 O12 P8 -","4","1","","Yuntawattana, Nattawut; McGuire, Thomas M.; Durr, Christopher B.; Buchard, Antoine; Williams, Charlotte K.","Indium phosphasalen catalysts showing high isoselectivity and activity in racemic lactide and lactone ring opening polymerizations","Catalysis Science & Technology","2020","10","21","7226","7239","10.1039/D0CY01484B","","x-ray","1.54184","CuKα","","0.0312","0.0275","","","0.0699","0.0722","","","","","","1.025","","","","has coordinates,has disorder","259602","2020-12-06","13:07:50",""
"1559114","11.4385","0.0004","15.3688","0.0005","15.4343","0.0005","83.413","0.003","78.85","0.003","78.526","0.003","2600.66","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H74 N2 O2 P2 -","- C50 H74 N2 O2 P2 -","- C100 H148 N4 O4 P4 -","2","1","","Yuntawattana, Nattawut; McGuire, Thomas M.; Durr, Christopher B.; Buchard, Antoine; Williams, Charlotte K.","Indium phosphasalen catalysts showing high isoselectivity and activity in racemic lactide and lactone ring opening polymerizations","Catalysis Science & Technology","2020","10","21","7226","7239","10.1039/D0CY01484B","","x-ray","1.54184","CuKα","","0.0548","0.0451","","","0.1199","0.1289","","","","","","1.027","","","","has coordinates,has disorder","259602","2020-12-06","13:07:50",""
"1559115","11.128","0.0001","18.2363","0.0002","30.9376","0.0004","90","","90","","90","","6278.28","0.12","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C57 H85 In N2 O5 P2 -","- C57 H85 In N2 O5 P2 -","- C228 H340 In4 N8 O20 P8 -","4","1","","Yuntawattana, Nattawut; McGuire, Thomas M.; Durr, Christopher B.; Buchard, Antoine; Williams, Charlotte K.","Indium phosphasalen catalysts showing high isoselectivity and activity in racemic lactide and lactone ring opening polymerizations","Catalysis Science & Technology","2020","10","21","7226","7239","10.1039/D0CY01484B","","x-ray","1.54184","CuKα","","0.0281","0.0255","","","0.0615","0.0628","","","","","","1.031","","","","has coordinates","259602","2020-12-06","13:07:50",""
"1559116","20.6809","0.0002","18.5748","0.0002","15.7154","0.0002","90","","90","","90","","6036.97","0.12","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C65 H87 In N2 O4 P2 -","- C65 H87 In N2 O4 P2 -","- C260 H348 In4 N8 O16 P8 -","4","1","","Yuntawattana, Nattawut; McGuire, Thomas M.; Durr, Christopher B.; Buchard, Antoine; Williams, Charlotte K.","Indium phosphasalen catalysts showing high isoselectivity and activity in racemic lactide and lactone ring opening polymerizations","Catalysis Science & Technology","2020","10","21","7226","7239","10.1039/D0CY01484B","","x-ray","1.54184","CuKα","","0.0291","0.027","","","0.0692","0.0707","","","","","","1.067","","","","has coordinates","259602","2020-12-06","13:07:50",""
"1559117","10.9894","0.0002","28.7519","0.001","19.81","0.0004","90","","91.214","0.002","90","","6257.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H102 In N2 O3 P2 -","- C63 H102 In N2 O3 P2 -","- C252 H408 In4 N8 O12 P8 -","4","1","","Yuntawattana, Nattawut; McGuire, Thomas M.; Durr, Christopher B.; Buchard, Antoine; Williams, Charlotte K.","Indium phosphasalen catalysts showing high isoselectivity and activity in racemic lactide and lactone ring opening polymerizations","Catalysis Science & Technology","2020","10","21","7226","7239","10.1039/D0CY01484B","","x-ray","1.54184","CuKα","","0.0803","0.0584","","","0.1442","0.1581","","","","","","1.026","","","","has coordinates,has disorder","259602","2020-12-06","13:07:50",""
"1559118","14.2993","0.0006","14.3196","0.0006","17.8201","0.0006","105.16","0.004","107.065","0.004","96.826","0.004","3290.3","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H77 In N2 O3 P2 -","- C52 H77 In N2 O3 P2 -","- C104 H154 In2 N4 O6 P4 -","2","1","","Yuntawattana, Nattawut; McGuire, Thomas M.; Durr, Christopher B.; Buchard, Antoine; Williams, Charlotte K.","Indium phosphasalen catalysts showing high isoselectivity and activity in racemic lactide and lactone ring opening polymerizations","Catalysis Science & Technology","2020","10","21","7226","7239","10.1039/D0CY01484B","","x-ray","1.54184","CuKα","","0.0887","0.0671","","","0.1656","0.1842","","","","","","0.987","","","","has coordinates,has disorder","259602","2020-12-06","13:07:50",""
"1559240","9.1926","0.0006","18.6959","0.0012","18.8899","0.0012","93.315","0.002","103.878","0.0019","98.222","0.002","3105","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H32 Co O4 P -","- C18 H32 Co O4 P -","- C108 H192 Co6 O24 P6 -","6","3","","Fischer, Fabian; Pientka, Tobias; Jiao, Haijun; Spannenberg, Anke; Hapke, Marko","CpCo(i) precatalysts for [2 + 2 + 2] cycloaddition reactions: synthesis and reactivity","Catalysis Science & Technology","2020","10","23","8005","8014","10.1039/D0CY00876A","","","0.71073","MoKα","","0.0437","0.0352","","","0.0867","0.0936","","","","","","1.016","","","","has coordinates,has disorder","260596","2021-01-07","04:17:32",""
"1559241","8.808","0.0009","11.2727","0.0011","11.4608","0.0011","87.2767","0.0016","86.0751","0.0016","81.5105","0.0016","1122.03","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H8 Co F18 O4 P -","- C15 H8 Co F18 O4 P -","- C30 H16 Co2 F36 O8 P2 -","2","1","","Fischer, Fabian; Pientka, Tobias; Jiao, Haijun; Spannenberg, Anke; Hapke, Marko","CpCo(i) precatalysts for [2 + 2 + 2] cycloaddition reactions: synthesis and reactivity","Catalysis Science & Technology","2020","10","23","8005","8014","10.1039/D0CY00876A","","","0.71073","MoKα","","0.029","0.0273","","","0.0675","0.0691","","","","","","1.043","","","","has coordinates","260596","2021-01-07","04:17:32",""
"1559242","9.342","0.0004","12.6826","0.0006","22.4709","0.001","90","","93.041","0.0014","90","","2658.6","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H40 Co O6 P -","- C27 H40 Co O6 P -","- C108 H160 Co4 O24 P4 -","4","1","","Fischer, Fabian; Pientka, Tobias; Jiao, Haijun; Spannenberg, Anke; Hapke, Marko","CpCo(i) precatalysts for [2 + 2 + 2] cycloaddition reactions: synthesis and reactivity","Catalysis Science & Technology","2020","10","23","8005","8014","10.1039/D0CY00876A","","","0.71073","MoKα","","0.0335","0.0304","","","0.075","0.0766","","","","","","1.092","","","","has coordinates","260596","2021-01-07","04:17:32",""
"1559243","10.925","0.0002","12.6105","0.0002","20.1341","0.0003","90","","104.561","0.0005","90","","2684.77","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H40 Co O6 P -","- C24 H40 Co O6 P -","- C96 H160 Co4 O24 P4 -","4","1","","Fischer, Fabian; Pientka, Tobias; Jiao, Haijun; Spannenberg, Anke; Hapke, Marko","CpCo(i) precatalysts for [2 + 2 + 2] cycloaddition reactions: synthesis and reactivity","Catalysis Science & Technology","2020","10","23","8005","8014","10.1039/D0CY00876A","","","0.71073","MoKα","","0.0296","0.0258","","","0.0678","0.0705","","","","","","1.023","","","","has coordinates","260596","2021-01-07","04:17:32",""
"1559244","17.748","0.002","8.4442","0.0011","16.239","0.002","90","","91.117","0.002","90","","2433.2","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H34 Co N2 O6 P -","- C21 H34 Co N2 O6 P -","- C84 H136 Co4 N8 O24 P4 -","4","1","","Fischer, Fabian; Pientka, Tobias; Jiao, Haijun; Spannenberg, Anke; Hapke, Marko","CpCo(i) precatalysts for [2 + 2 + 2] cycloaddition reactions: synthesis and reactivity","Catalysis Science & Technology","2020","10","23","8005","8014","10.1039/D0CY00876A","","","0.71073","MoKα","","0.0347","0.0275","","","0.0699","0.0737","","","","","","1.028","","","","has coordinates","260596","2021-01-07","04:17:32",""
"1559245","10.7864","0.0006","11.5313","0.0007","22.3359","0.0013","90","","90","","90","","2778.2","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H29 Co N O5 P -","- C33 H29 Co N O5 P -","- C132 H116 Co4 N4 O20 P4 -","4","1","","Fischer, Fabian; Pientka, Tobias; Jiao, Haijun; Spannenberg, Anke; Hapke, Marko","CpCo(i) precatalysts for [2 + 2 + 2] cycloaddition reactions: synthesis and reactivity","Catalysis Science & Technology","2020","10","23","8005","8014","10.1039/D0CY00876A","","","0.71073","MoKα","","0.0268","0.0247","","","0.0599","0.0612","","","","","","1.052","","","","has coordinates","260596","2021-01-07","04:17:32",""
"1559279","35.7359","0.0009","12.1275","0.0002","27.9938","0.0007","90","","112.354","0.002","90","","11220.4","0.5","160","2","160","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C58 H53 Cl3 Cu F6 N2 O5 P3 -","- C58 H53 Cl3 Cu F6 N2 O5 P3 -","- C464 H424 Cl24 Cu8 F48 N16 O40 P24 -","8","1","","Li, Chenfei; Dickson, Robert; Rockstroh, Nils; Rabeah, Jabor; Cordes, David B.; Slawin, Alexandra M. Z.; Hünemörder, Paul; Spannenberg, Anke; Bühl, Michael; Mejía, Esteban; Zysman-Colman, Eli; Kamer, Paul C. J.","Ligand electronic fine-tuning and its repercussion on the photocatalytic activity and mechanistic pathways of the copper-photocatalysed aza-Henry reaction","Catalysis Science & Technology","2020","10","22","7745","7756","10.1039/D0CY01221A","","","0.71073","MoKα","","0.0607","0.0432","","","0.1157","0.1218","","","","","","0.938","","","","has coordinates,has disorder","259600","2020-12-06","13:07:17",""
"1559280","11.4434","0.0001","20.2661","0.0002","27.9804","0.0004","90","","99.805","0.001","90","","6394.24","0.13","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H40 Cu F18 N2 O P3 -","- C57 H40 Cu F18 N2 O P3 -","- C228 H160 Cu4 F72 N8 O4 P12 -","4","1","","Li, Chenfei; Dickson, Robert; Rockstroh, Nils; Rabeah, Jabor; Cordes, David B.; Slawin, Alexandra M. Z.; Hünemörder, Paul; Spannenberg, Anke; Bühl, Michael; Mejía, Esteban; Zysman-Colman, Eli; Kamer, Paul C. J.","Ligand electronic fine-tuning and its repercussion on the photocatalytic activity and mechanistic pathways of the copper-photocatalysed aza-Henry reaction","Catalysis Science & Technology","2020","10","22","7745","7756","10.1039/D0CY01221A","","x-ray","1.54184","CuKα","","0.0798","0.0786","","","0.1611","0.1615","","","","","","1.173","","","","has coordinates","259600","2020-12-06","13:07:18",""
"1559301","12.5519","0.0009","23.6646","0.0018","16.9746","0.0012","90","","94.02","0.002","90","","5029.7","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Cy2NNN)RuCl2(CO)","","- C21.5 H32 Cl2 N3 O2.5 Ru -","- C21.5 H30 Cl2 N3 O2.5 Ru -","- C172 H240 Cl16 N24 O20 Ru8 -","8","2","","Das, Kanu; Yasmin, Eileen; Das, Babulal; Srivastava, Hemant Kumar; Kumar, Akshai","Phosphine-free pincer-ruthenium catalyzed biofuel production: high rates, yields and turnovers of solventless alcohol alkylation","Catalysis Science & Technology","2020","10","24","8347","8358","10.1039/D0CY01679A","","","0.71073","MoKα","","0.0989","0.0672","","","0.1315","0.1572","","","","","","0.925","","","","has coordinates","274176","2022-03-31","10:10:31",""
"1559302","9.2304","0.0005","10.8098","0.0006","18.2395","0.0011","90","","96.278","0.002","90","","1809","0.18","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(iPr2NNN)RuCl2(CO)","","- C14 H21 Cl2 N3 O2 Ru -","- C14 H21 Cl2 N3 O2 Ru -","- C56 H84 Cl8 N12 O8 Ru4 -","4","1","","Das, Kanu; Yasmin, Eileen; Das, Babulal; Srivastava, Hemant Kumar; Kumar, Akshai","Phosphine-free pincer-ruthenium catalyzed biofuel production: high rates, yields and turnovers of solventless alcohol alkylation","Catalysis Science & Technology","2020","10","24","8347","8358","10.1039/D0CY01679A","","","0.71073","MoKα","","0.0455","0.0376","","","0.0872","0.0939","","","","","","1.042","","","","has coordinates","260595","2021-01-07","04:17:16",""
"1559469","15.072","0.002","7.9873","0.0009","6.841","0.0009","90","","90","","90","","823.55","0.18","18","1","18","1","","","","","","","","4","P b c n","-P 2n 2ab","60","bis(dimethylamino)squaraine","","","- C8 H12 N2 O2 -","- C8 H12 N2 O2 -","- C32 H48 N8 O8 -","4","0.5","","Destro, Riccardo; Roversi, Pietro; Soave, Raffaella; Hovestad, Arjan; Lo Presti, Leonardo","Experimental Charge Density Analysis and Electrostatic Properties of Crystalline 1,3-Bis(Dimethylamino)Squaraine and Its Dihydrate from Low Temperature (T = 18 and 20 K) XRD Data","Crystals","2020","10","10","894","","10.3390/cryst10100894","","","0.71073","MoKα","","0.0417","0.0314","","","0.0896","0.0989","","","","","","1.113","","","","has coordinates","259000","2020-11-06","15:09:55",""
"1559470","7.959","0.001","7.154","0.001","17.799","0.002","90","","91.68","0.01","90","","1013","0.2","20","1","20","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(dimethylamino)squaraine dihydrate","","","- C8 H16 N2 O4 -","- C8 H16 N2 O4 -","- C32 H64 N8 O16 -","4","1","","Destro, Riccardo; Roversi, Pietro; Soave, Raffaella; Hovestad, Arjan; Lo Presti, Leonardo","Experimental Charge Density Analysis and Electrostatic Properties of Crystalline 1,3-Bis(Dimethylamino)Squaraine and Its Dihydrate from Low Temperature (T = 18 and 20 K) XRD Data","Crystals","2020","10","10","894","","10.3390/cryst10100894","","","0.71073","MoKα","","0.0383","0.0305","","","0.0834","0.0867","","","","","","1.052","","","","has coordinates","259000","2020-11-06","15:09:56",""
"1559471","15.4996","0.0006","23.6435","0.0007","9.0231","0.0002","90","","90","","90","","3306.65","0.18","100","2","100","2","","","","","","","","2","P n n m","-P 2 2n","58","","","","- Bi6 Br7 -","- Bi6 Br7 -","- Bi48 Br56 -","8","1","","Stroganova, Ekaterina A.; Troyanov, Sergey I.; Morozov, Igor V.; Kuznetsov, Alexey N.","Bismuth Polycations Revisited: Alternative Synthesis and Electronic Structure of Bi6Br7, and Bonding in Main-Group Polyatomic Ions from a Direct Space Perspective","Crystals","2020","10","10","940","","10.3390/cryst10100940","","","0.71073","MoKα","","0.0676","0.0413","","","0.0764","0.0837","","","","","","0.883","","","","has coordinates","259001","2020-11-06","15:10:26",""
"1559472","12.0654","0.0005","11.0666","0.0005","23.955","0.0011","90","","101.376","0.0016","90","","3135.7","0.2","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 O6 -","- C19 H16 O6 -","- C152 H128 O48 -","8","2","","Shin, Soon Young; Lee, Young Han; Lim, Yoongho; Lee, Ha Jin; Lee, Ji Hye; Yoo, Miri; Ahn, Seunghyun; Koh, Dongsoo","Single Crystal X-Ray Structure for the Disordered Two Independent Molecules of Novel Isoflavone: Synthesis, Hirshfeld Surface Analysis, Inhibition and Docking Studies on IKKβ of 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-6,7-dimethoxy-4H-chromen-4-one","Crystals","2020","10","10","911","","10.3390/cryst10100911","","","0.71073","MoKα","","0.0666","0.043","","","0.1004","0.1179","","","","","","1.063","","","","has coordinates,has disorder","259002","2020-11-06","15:10:52",""
"1560196","5.0788","0.0004","5.0788","0.0004","14.086","0.002","90","","90","","120","","314.66","0.06","293","","","","","","","","","","Noerdlinger Ries","4","R -3 :H","-R 3","148","","Irontitanate","wangdaodeite","- Fe5.52 Mn0.48 O18 Ti6 -","- Fe5.52 Mn0.48 O18 Ti3 -","- Fe5.52 Mn0.48 O18 Ti3 -","1","0.0555556","","Oliver Tschauner; Chi Ma; Matthew G. Newville; Antonio Lanzirotti","Structure Analysis of Natural Wangdaodeite-LiNbO3-Type FeTiO3","Minerals","2020","10","","1072","","10.3390/min10121072","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","261196","2021-01-25","10:40:23",""
"1564528","11.1927","0.0005","11.1927","0.0005","21.7121","0.001","90","","90","","120","","2355.6","0.18","293","","","","","","","","","","Arad Stone Quarry,Hatrurim Complex, Israel","7","P 3 1 c","P 3 -2c","159","","","bentorite","- C0.499 H60 Al0.387 Ca6 Cr1.613 O49.725 S2.75 -","- C0.5 H60 Al0.387 Ca6 Cr1.613 O49.725 S2.75 -","- C H120 Al0.774 Ca12 Cr3.226 O99.45 S5.5 -","2","0.333333","","Juroszek, Rafał; Krüger, Biljana; Galuskina, Irina; Krüger, Hannes; Tribus, Martina; Kürsten, Christian","Raman Spectroscopy and Single-Crystal High-Temperature Investigations of Bentorite, Ca6Cr2(SO4)3(OH)12·26H2O","Minerals","2019","10","1","38","","10.3390/min10010038","","x-ray","0.71073","MoKα","","0.0756","0.0388","","","0.0423","0.0454","","","","2.19","2.19","1.91","","","","has coordinates","268362","2021-09-02","09:04:05",""
"1564816","13.53204","0.00018","28.1457","0.0003","23.0424","0.0003","90","","104.551","0.0014","90","","8494.6","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H120 La N3 O6 -","- C84 H120 La N3 O6 -","- C336 H480 La4 N12 O24 -","4","1","","Maleev, A. A.; Trofimova, O.Yu.; Pushkarev, A.P.; Somov, N.V.; Travkin, V.V.; Pakhomov, G.L.; Piskunov, A.V.; Bochkareva, M.N.","Photovoltaic Properties of Zn, Al, La, Sm, and Yb Complexes with o-Iminobenzoquinone Ligands","Nanotechnologies in Russia","2015","10","7-8","613","620","10.1134/S1995078015040138","","","1.54184","CuKα","","0.033","0.026","","","0.0643","0.0655","","","","","","0.947","","","","has coordinates","269558","2021-10-05","09:59:04",""
"1566562","11.7462","0.0009","39.197","0.003","15.6529","0.0015","90","","107.882","0.004","90","","6858.7","1","150","2","150.02","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 Au2 O4 P2 S2 -","- C34 H38 Au2 O4 P2 S2 -","- C272 H304 Au16 O32 P16 S16 -","8","2","","Duminy, Welni; Pillay, Michael N.; van Zyl, Werner E.","Silver(I) and Gold(I) Monothiocarbonate Complexes: Synthesis, Structure, Luminescence","Inorganics","2022","10","2","19","","10.3390/inorganics10020019","","","0.71073","MoKα","","0.1174","0.0952","","","0.2167","0.227","","","","","","1.158","","","","has coordinates","273447","2022-03-05","08:54:43",""
"1567241","21.806","0.004","21.822","0.004","20.8","0.004","90","","101.314","0.003","90","","9705","3","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","(TPP)[Al(azpMe4)2]","","","- C56 H55 Al N4 O5.5 P -","- C56 H52 Al N4 O5.5 P -","- C448 H416 Al8 N32 O44 P8 -","8","1","","Takahashi, Kazuyuki; Noguchi, Takumi; Ueda, Keiji; Miyawaki, Atsuhiro; Murata, Suguru","Molecular Structures and Redox Properties of Homoleptic Aluminum(III) Complexes with Azobisphenolate (azp) Ligands","Inorganics","2022","10","6","84","","10.3390/inorganics10060084","","","0.71073","MoKα","","0.111","0.0698","","","0.1865","0.2098","","","","","","1.062","","","","has coordinates,has disorder","276685","2022-07-06","20:18:41",""
"1567242","13.424","0.002","16.38","0.003","41.151","0.007","90","","90","","90","","9048","3","90","2","90","2","","","","","","","","7","P n a 21","P 2c -2n","33","(TPP)[Al(azpCl2)2]","","","- C48 H32 Al Cl4 N4 O4 P -","- C48 H32 Al Cl4 N4 O4 P -","- C384 H256 Al8 Cl32 N32 O32 P8 -","8","2","","Takahashi, Kazuyuki; Noguchi, Takumi; Ueda, Keiji; Miyawaki, Atsuhiro; Murata, Suguru","Molecular Structures and Redox Properties of Homoleptic Aluminum(III) Complexes with Azobisphenolate (azp) Ligands","Inorganics","2022","10","6","84","","10.3390/inorganics10060084","","","0.71073","MoKα","","0.0746","0.046","","","0.0871","0.0961","","","","","","1.008","","","","has coordinates","276686","2022-07-06","20:19:09",""
"1567243","11.8738","0.0019","13.224","0.002","16.406","0.003","81.934","0.002","81.586","0.002","64.23","0.002","2286.4","0.7","90","2","90","2","","","","","","","","6","P -1","-P 1","2","(TPP)[Al(azpMe2)2]","","","- C53 H48 Al N4 O6 P -","- C53 H48 Al N4 O6 P -","- C106 H96 Al2 N8 O12 P2 -","2","1","","Takahashi, Kazuyuki; Noguchi, Takumi; Ueda, Keiji; Miyawaki, Atsuhiro; Murata, Suguru","Molecular Structures and Redox Properties of Homoleptic Aluminum(III) Complexes with Azobisphenolate (azp) Ligands","Inorganics","2022","10","6","84","","10.3390/inorganics10060084","","","0.71073","MoKα","","0.0843","0.0703","","","0.1902","0.2036","","","","","","1.039","","","","has coordinates,has disorder","276687","2022-07-06","20:19:31",""
"1567244","13.374","0.007","14.095","0.008","16.593","0.009","96.179","0.008","106.731","0.007","103.041","0.007","2868","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(TTP)[Al(azpBu2)2]","","","- C64 H68 Al N4 O4 P -","- C64 H68 Al N4 O4 P -","- C128 H136 Al2 N8 O8 P2 -","2","1","","Takahashi, Kazuyuki; Noguchi, Takumi; Ueda, Keiji; Miyawaki, Atsuhiro; Murata, Suguru","Molecular Structures and Redox Properties of Homoleptic Aluminum(III) Complexes with Azobisphenolate (azp) Ligands","Inorganics","2022","10","6","84","","10.3390/inorganics10060084","","","0.71073","MoKα","","0.0773","0.0562","","","0.1474","0.1648","","","","","","1.044","","","","has coordinates,has disorder","276688","2022-07-06","20:19:54",""
"1567245","13.324","0.013","13.763","0.013","14.19","0.014","91.243","0.014","104.039","0.013","101.05","0.012","2471","4","273","2","273","2","","","","","","","","6","P -1","-P 1","2","(TPP)[Al(phsalMe2)2]","","","- C58 H52 Al N4 O4 P -","- C58 H52 Al N4 O4 P -","- C116 H104 Al2 N8 O8 P2 -","2","1","","Takahashi, Kazuyuki; Noguchi, Takumi; Ueda, Keiji; Miyawaki, Atsuhiro; Murata, Suguru","Molecular Structures and Redox Properties of Homoleptic Aluminum(III) Complexes with Azobisphenolate (azp) Ligands","Inorganics","2022","10","6","84","","10.3390/inorganics10060084","","","0.71073","MoKα","","0.0948","0.0581","","","0.1521","0.1771","","","","","","1.017","","","","has coordinates,has disorder","276689","2022-07-06","20:20:15",""
"1567737","14.6017","0.0018","14.9653","0.0018","15.3953","0.0018","62.209","0.002","76.315","0.002","72.31","0.003","2817.4","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 In N3 S6 -","- C24 H24 In N3 S6 -","- C96 H96 In4 N12 S24 -","4","2","","Ferjani, Hela; Onwudiwe, Damian C.","Synthesis, Structural, Thermal, and Hirshfeld Surface Analysis of In(III) Tris (N-Methyl-N-Phenyl Dithiocarbamate)","Inorganics","2022","10","10","146","","10.3390/inorganics10100146","","","0.71073","MoKα","","0.0669","0.0534","","","0.1497","0.1592","","","","","","1.118","","","","has coordinates","278485","2022-10-07","14:35:18",""
"1567738","10.56","0.002","20.205","0.004","22.352","0.004","114.814","0.004","101.57","0.004","90.753","0.004","4215.4","1.4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H45 B8 Cl O P2 Ru2 -","- C44 H45 B8 Cl O P2 Ru2 -","- C176 H180 B32 Cl4 O4 P8 Ru8 -","4","2","","Loginov, Dmitry A.; Dolgushin, Fedor M.; Konoplev, Vitalii E.; Tachaev, Maxim V.","New Aspects of Ruthenium-Mediated Polyhedral Contraction of Monocarbollides","Inorganics","2022","10","10","158","","10.3390/inorganics10100158","","","0.71073","MoKα","","0.0696","0.0462","","","0.0941","0.1","","","","","","1.075","","","","has coordinates","278486","2022-10-07","14:35:46",""
"1567739","18.467","0.011","15.515","0.009","18.611","0.011","90","","100.17","0.011","90","","5249","5","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H49 B8 Cl5 O P2 Ru -","- C46.0001 H49.0002 B8 Cl5.0002 O P2 Ru -","- C184 H196.001 B32 Cl20.0008 O4 P8 Ru4 -","4","1","","Loginov, Dmitry A.; Dolgushin, Fedor M.; Konoplev, Vitalii E.; Tachaev, Maxim V.","New Aspects of Ruthenium-Mediated Polyhedral Contraction of Monocarbollides","Inorganics","2022","10","10","158","","10.3390/inorganics10100158","","","0.71073","MoKα","","0.1814","0.0987","","","0.2428","0.2767","","","","","","1.009","","","","has coordinates,has disorder","278487","2022-10-07","14:36:30",""
"1567831","4.8045","0.0004","15.5425","0.0015","23.249","0.002","90","","92.476","0.006","90","","1734.5","0.3","300","2","300","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 -","- C27 H18 -","- C108 H72 -","4","1","","Zheng, Xiaoxin; Han, Quanxiang; Lin, Qinglian; Li, Cuicui; Jiang, Jinke; Guo, Qing; Ye, Xin; Yuan, Wang Zhang; Liu, Yang; Tao, Xutang","A processable, scalable, and stable full-color ultralong afterglow system based on heteroatom-free hydrocarbon doped polymers.","Materials horizons","2023","10","1","197","208","10.1039/d2mh00998f","","","1.54178","CuKα","","0.1179","0.096","","","0.2701","0.2875","","","","","","1.042","","","","has coordinates","281619","2023-03-04","18:50:14",""
"1567888","12.3353","0.0002","12.2206","0.0003","32.2371","0.0008","90","","94.296","0.001","90","","4845.92","0.19","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H45 I8 N4 Pb2 -","- C32 H45 I8 N4 Pb2 -","- C128 H180 I32 N16 Pb8 -","4","1","","Febriansyah, Benny; Li, Yongxin; Giovanni, David; Salim, Teddy; Hooper, Thomas J. N.; Sim, Ying; Ma, Daphne; Laxmi, Shoba; Lekina, Yulia; Koh, Teck Ming; Shen, Ze Xiang; Pullarkat, Sumod A.; Sum, Tze Chien; Mhaisalkar, Subodh G.; Ager, Joel W.; Mathews, Nripan","Inorganic frameworks of low-dimensional perovskites dictate the performance and stability of mixed-dimensional perovskite solar cells.","Materials horizons","2023","10","2","536","546","10.1039/d2mh00868h","","","0.71073","MoKα","","0.0395","0.0388","","","0.1038","0.1045","","","","","","1.125","","","","has coordinates","281622","2023-03-04","18:50:41",""
"1567889","10.9954","0.0004","10.9954","0.0004","25.0526","0.0014","90","","90","","90","","3028.8","0.2","296","2","296","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C16 H28 I6 N4 Pb -","- C16 H28 I6 N4 Pb -","- C64 H112 I24 N16 Pb4 -","4","0.25","","Febriansyah, Benny; Li, Yongxin; Giovanni, David; Salim, Teddy; Hooper, Thomas J. N.; Sim, Ying; Ma, Daphne; Laxmi, Shoba; Lekina, Yulia; Koh, Teck Ming; Shen, Ze Xiang; Pullarkat, Sumod A.; Sum, Tze Chien; Mhaisalkar, Subodh G.; Ager, Joel W.; Mathews, Nripan","Inorganic frameworks of low-dimensional perovskites dictate the performance and stability of mixed-dimensional perovskite solar cells.","Materials horizons","2023","10","2","536","546","10.1039/d2mh00868h","","x-ray","0.71073","MoKα","","0.0574","0.0375","","","0.0878","0.0972","","","","","","1.053","","","","has coordinates,has disorder","281622","2023-03-04","18:50:42",""
"1567890","6.3676","0.0005","12.592","0.0007","20.5523","0.0012","90","","96.257","0.004","90","","1638.08","0.18","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H12 I4 N2 Pb -","- C7 H12 I4 N2 Pb -","- C28 H48 I16 N8 Pb4 -","4","1","","Febriansyah, Benny; Li, Yongxin; Giovanni, David; Salim, Teddy; Hooper, Thomas J. N.; Sim, Ying; Ma, Daphne; Laxmi, Shoba; Lekina, Yulia; Koh, Teck Ming; Shen, Ze Xiang; Pullarkat, Sumod A.; Sum, Tze Chien; Mhaisalkar, Subodh G.; Ager, Joel W.; Mathews, Nripan","Inorganic frameworks of low-dimensional perovskites dictate the performance and stability of mixed-dimensional perovskite solar cells.","Materials horizons","2023","10","2","536","546","10.1039/d2mh00868h","","","0.71073","MoKα","","0.0826","0.0451","","","0.0861","0.1017","","","","","","1.009","","","","has coordinates","281622","2023-03-04","18:50:42",""
"1567891","8.1205","0.0004","9.2677","0.0004","19.9344","0.0008","90","","90","","90","","1500.23","0.12","253","2","253","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H12 I3 N Pb -","- C8 H12 I3 N Pb -","- C32 H48 I12 N4 Pb4 -","4","0.5","","Febriansyah, Benny; Li, Yongxin; Giovanni, David; Salim, Teddy; Hooper, Thomas J. N.; Sim, Ying; Ma, Daphne; Laxmi, Shoba; Lekina, Yulia; Koh, Teck Ming; Shen, Ze Xiang; Pullarkat, Sumod A.; Sum, Tze Chien; Mhaisalkar, Subodh G.; Ager, Joel W.; Mathews, Nripan","Inorganic frameworks of low-dimensional perovskites dictate the performance and stability of mixed-dimensional perovskite solar cells.","Materials horizons","2023","10","2","536","546","10.1039/d2mh00868h","","","0.71073","MoKα","","0.0667","0.0505","","","0.1208","0.1347","","","","","","1.096","","","","has coordinates","281622","2023-03-04","18:50:42",""
"1567892","8.703","0.003","8.698","0.003","17.123","0.007","92.942","0.014","101.643","0.013","90.504","0.013","1267.6","0.8","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H24 I4 N2 O2 Pb -","- C16 H24 I4 N2 O2 Pb -","- C32 H48 I8 N4 O4 Pb2 -","2","1","","Febriansyah, Benny; Li, Yongxin; Giovanni, David; Salim, Teddy; Hooper, Thomas J. N.; Sim, Ying; Ma, Daphne; Laxmi, Shoba; Lekina, Yulia; Koh, Teck Ming; Shen, Ze Xiang; Pullarkat, Sumod A.; Sum, Tze Chien; Mhaisalkar, Subodh G.; Ager, Joel W.; Mathews, Nripan","Inorganic frameworks of low-dimensional perovskites dictate the performance and stability of mixed-dimensional perovskite solar cells.","Materials horizons","2023","10","2","536","546","10.1039/d2mh00868h","","x-ray","0.71073","MoKα","","0.0777","0.0487","","","0.106","0.1178","","","","","","1.059","","","","has coordinates,has disorder","281622","2023-03-04","18:50:42",""
"1568018","7.4068","0.0013","44.744","0.008","8.8243","0.0017","90","","94.435","0.007","90","","2915.7","0.9","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H53 N2 O3 -","- C31 H53 N2 O3 -","- C124 H212 N8 O12 -","4","1","","Houard, Felix; Cucinotta, Guiseppe; Guizouarn, Thierry; Suffren, Yan; Calvez, Guillaume; Daiguebonne, Carole; Guillou, Olivier; Artzner, Franck; Mannini, Matteo; Bernot, Kevin","Metallogels: a novel approach for the nanostructuration of single-chain magnets.","Materials horizons","2023","10","2","547","555","10.1039/d2mh01158a","","x-ray","0.71073","MoKα","","0.1548","0.124","","","0.3323","0.3456","","","","","","1.079","","","","has coordinates","281621","2023-03-04","18:50:30",""
"1568124","13.6795","0.0003","17.7174","0.0003","9.9143","0.0002","90","","90","","90","","2402.88","0.08","179.99","0.1","179.99","0.1","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C18 H36 Br2 Eu N2 O6 -","- C18 H36 Br2 Eu N2 O6 -","- C72 H144 Br8 Eu4 N8 O24 -","4","1","","Yu, Gang; Liu, Huanyu; Yan, Wenchao; Guo, Ruoyao; Wu, Aoben; Zhao, Zifeng; Liu, Zhiwei; Bian, Zuqiang","4f → 3d sensitization: a luminescent Eu<sup>II</sup>-Mn<sup>II</sup> heteronuclear complex with a near-unity quantum yield.","Materials horizons","2023","10","2","625","631","10.1039/d2mh01123a","","x-ray","0.71073","MoKα","","0.0218","0.0196","","","0.0382","0.0387","","","","","","1.01","","","","has coordinates","281623","2023-03-04","18:51:23",""
"1568125","16.7005","0.001","11.9358","0.0004","16.9034","0.0008","90","","108.602","0.006","90","","3193.4","0.3","180","0.1","180","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20.65 H45.3 Br4 Eu Mn N2 O8 -","- C20.65 H45.3 Br4 Eu Mn N2 O8 -","- C82.6 H181.2 Br16 Eu4 Mn4 N8 O32 -","4","1","","Yu, Gang; Liu, Huanyu; Yan, Wenchao; Guo, Ruoyao; Wu, Aoben; Zhao, Zifeng; Liu, Zhiwei; Bian, Zuqiang","4f → 3d sensitization: a luminescent Eu<sup>II</sup>-Mn<sup>II</sup> heteronuclear complex with a near-unity quantum yield.","Materials horizons","2023","10","2","625","631","10.1039/d2mh01123a","","x-ray","0.71073","MoKα","","0.0735","0.0621","","","0.1473","0.1524","","","","","","1.065","","","","has coordinates,has disorder","281623","2023-03-04","18:51:26",""
"1568126","11.5435","0.0004","20.2186","0.0005","13.5459","0.0005","90","","91.42","0.003","90","","3160.55","0.18","180","0.1","180","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H45.11 Br2.89 Mn N2 O9.11 Sr -","- C20 H45.11 Br2.89 Mn N2 O9.11 Sr -","- C80 H180.44 Br11.56 Mn4 N8 O36.44 Sr4 -","4","1","","Yu, Gang; Liu, Huanyu; Yan, Wenchao; Guo, Ruoyao; Wu, Aoben; Zhao, Zifeng; Liu, Zhiwei; Bian, Zuqiang","4f → 3d sensitization: a luminescent Eu<sup>II</sup>-Mn<sup>II</sup> heteronuclear complex with a near-unity quantum yield.","Materials horizons","2023","10","2","625","631","10.1039/d2mh01123a","","x-ray","0.71073","MoKα","","0.0971","0.0482","","","0.0945","0.1083","","","","","","1.021","","","","has coordinates,has disorder","281623","2023-03-04","18:51:29",""
"1568127","14.04743","0.00016","14.65564","0.00016","31.3669","0.0004","90","","102.744","0.0012","90","","6298.56","0.13","180","0.1","180","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H44 Br4 Eu N2 O8 Zn -","- C20 H44 Br4 Eu N2 O8 Zn -","- C160 H352 Br32 Eu8 N16 O64 Zn8 -","8","2","","Yu, Gang; Liu, Huanyu; Yan, Wenchao; Guo, Ruoyao; Wu, Aoben; Zhao, Zifeng; Liu, Zhiwei; Bian, Zuqiang","4f → 3d sensitization: a luminescent Eu<sup>II</sup>-Mn<sup>II</sup> heteronuclear complex with a near-unity quantum yield.","Materials horizons","2023","10","2","625","631","10.1039/d2mh01123a","","x-ray","0.71073","MoKα","","0.0405","0.0286","","","0.0524","0.0551","","","","","","1.017","","","","has coordinates","281623","2023-03-04","18:51:30",""
"1568128","18.6378","0.0006","9.1309","0.0003","10.6136","0.0003","90","","90","","90","","1806.22","0.1","303","","303","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Cd Rb2 S10 Si4 -","- Cd Rb2 S10 Si4 -","- Cd4 Rb8 S40 Si16 -","4","1","","Zhou, Jiazheng; Fan, Zhongxu; Zhang, Kewang; Yang, Zhihua; Pan, Shilie; Li, Junjie","Rb<sub>2</sub>CdSi<sub>4</sub>S<sub>10</sub>: novel [Si<sub>4</sub>S<sub>10</sub>] T2-supertetrahedra-contained infrared nonlinear optical material with large band gap.","Materials horizons","2023","10","2","619","624","10.1039/d2mh01200f","","","0.71073","MoKα","","0.0331","0.0265","","","0.0564","0.0638","","","","","","0.9","","","","has coordinates","281620","2023-03-04","18:50:21",""
"1568244","12.2556","0.0002","7.1074","0.0001","14.0867","0.0003","90","","98.156","0.002","90","","1214.62","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","S- ClMBA-Sn-Cl","","- C16 H22 Cl8 N2 Sn -","- C16 H22 Cl8 N2 Sn -","- C32 H44 Cl16 N4 Sn2 -","2","1","","Han, Xiao; Cheng, Puxin; Shi, Rongchao; Zheng, Yongshen; Qi, Siming; Xu, Jialiang; Bu, Xian-He","Linear optical afterglow and nonlinear optical harmonic generation from chiral tin(IV) halides: the role of lattice distortions.","Materials horizons","2023","10","3","1005","1011","10.1039/d2mh01429g","","x-ray","0.71073","MoKα","","0.0166","0.016","","","0.0362","0.0364","","","","","","1.035","","","","has coordinates","283514","2023-05-05","03:38:34",""
"1568245","13.9427","0.0007","7.1499","0.0003","12.4112","0.0006","90","","109.933","0.005","90","","1163.14","0.1","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","rac-FMBA-SnCl","","- C16 H22 Cl6 F2 N2 Sn -","- C16 H22 Cl6 F2 N2 Sn -","- C32 H44 Cl12 F4 N4 Sn2 -","2","0.5","","Han, Xiao; Cheng, Puxin; Shi, Rongchao; Zheng, Yongshen; Qi, Siming; Xu, Jialiang; Bu, Xian-He","Linear optical afterglow and nonlinear optical harmonic generation from chiral tin(IV) halides: the role of lattice distortions.","Materials horizons","2023","10","3","1005","1011","10.1039/d2mh01429g","","x-ray","1.54184","CuKα","","0.0543","0.0502","","","0.1339","0.137","","","","","","1.074","","","","has coordinates","283514","2023-05-05","03:38:34",""
"1568246","12.242","0.0001","7.1142","0.0001","14.0909","0.0001","90","","98.195","0.001","90","","1214.67","0.02","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","R-ClMBA-SnCl","","- C16 H22 Cl8 N2 Sn -","- C16 H22 Cl8 N2 Sn -","- C32 H44 Cl16 N4 Sn2 -","2","1","","Han, Xiao; Cheng, Puxin; Shi, Rongchao; Zheng, Yongshen; Qi, Siming; Xu, Jialiang; Bu, Xian-He","Linear optical afterglow and nonlinear optical harmonic generation from chiral tin(IV) halides: the role of lattice distortions.","Materials horizons","2023","10","3","1005","1011","10.1039/d2mh01429g","","x-ray","1.54184","CuKα","","0.0338","0.0309","","","0.0828","0.0839","","","","","","1.003","","","","has coordinates","283514","2023-05-05","03:38:34",""
"1568247","12.2505","0.0002","7.1627","0.0001","14.0193","0.0002","90","","110.504","0.002","90","","1152.21","0.03","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","R-FMBA-Sn-Cl","","- C16 H22 Cl6 F2 N2 Sn -","- C16 H22 Cl6 F2 N2 Sn -","- C32 H44 Cl12 F4 N4 Sn2 -","2","1","","Han, Xiao; Cheng, Puxin; Shi, Rongchao; Zheng, Yongshen; Qi, Siming; Xu, Jialiang; Bu, Xian-He","Linear optical afterglow and nonlinear optical harmonic generation from chiral tin(IV) halides: the role of lattice distortions.","Materials horizons","2023","10","3","1005","1011","10.1039/d2mh01429g","","x-ray","1.54184","CuKα","","0.0417","0.0412","","","0.1098","0.1101","","","","","","1.054","","","","has coordinates","283514","2023-05-05","03:38:34",""
"1568248","12.2157","0.0011","7.1438","0.0005","13.9697","0.0015","90","","110.521","0.011","90","","1141.7","0.2","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","S-F MBA-Sn-Cl","","- C16 H22 Cl6 F2 N2 Sn -","- C16 H22 Cl6 F2 N2 Sn -","- C32 H44 Cl12 F4 N4 Sn2 -","2","1","","Han, Xiao; Cheng, Puxin; Shi, Rongchao; Zheng, Yongshen; Qi, Siming; Xu, Jialiang; Bu, Xian-He","Linear optical afterglow and nonlinear optical harmonic generation from chiral tin(IV) halides: the role of lattice distortions.","Materials horizons","2023","10","3","1005","1011","10.1039/d2mh01429g","","x-ray","0.71073","MoKα","","0.0222","0.0209","","","0.0481","0.0486","","","","","","1.072","","","","has coordinates","283514","2023-05-05","03:38:34",""
"1568249","14.1247","0.0002","7.1094","0.0001","12.3083","0.0002","90","","97.523","0.001","90","","1225.34","0.03","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","rac-ClMBA-SnCl","","- C16 H22 Cl8 N2 Sn -","- C16 H22 Cl8 N2 Sn -","- C32 H44 Cl16 N4 Sn2 -","2","0.5","","Han, Xiao; Cheng, Puxin; Shi, Rongchao; Zheng, Yongshen; Qi, Siming; Xu, Jialiang; Bu, Xian-He","Linear optical afterglow and nonlinear optical harmonic generation from chiral tin(IV) halides: the role of lattice distortions.","Materials horizons","2023","10","3","1005","1011","10.1039/d2mh01429g","","x-ray","1.54184","CuKα","","0.0736","0.0723","","","0.1945","0.1956","","","","","","1.187","","","","has coordinates","283514","2023-05-05","03:38:34",""
"1568403","14.184","0.005","21.669","0.008","21.746","0.008","90","","90.63","0.02","90","","6683","4","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 Cl4 N8 O4 Pd2 S4 -","- C22 H32 Cl4 N8 O4 Pd2 S4 -","- C176 H256 Cl32 N64 O32 Pd16 S32 -","8","2","","Javier Espino; Elena Fernández-Delgado; Samuel Estirado; Francisco Luna-Giles; Felipe de la Cruz-Martinez; Sergio Villa-Carballar; Emilio Viñuelas-Zahínos; Francisco Luna-Giles; Jos'e A. Pariente","Synthesis and structure of a new thiazoline-based palladium(II) complex that promotes cytotoxicity and apoptosis of human promyelocytic leukemia HL-60 cells","Scientific Reports","2020","10","","16745","","10.1038/s41598-020-73488-0","","","0.71073","MoKα","","0.0441","0.0333","","","0.0644","0.0677","","","","","","1.176","","","","has coordinates","280923","2023-02-15","12:18:39",""
"1568537","13.678","0.003","7.1156","0.0014","9.883","0.002","90","","91.07","0.03","90","","961.7","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C4 H10 N2 O10 Zn -","- C4 H10 N2 O10 Zn -","- C16 H40 N8 O40 Zn4 -","4","1","","Xu, Xin; Yan, Bing","Bioinspired HOF-based luminescent skin sensor with triple mechanochromism responses for the recognition and collection of human biophysical signals.","Materials horizons","2023","10","6","2062","2074","10.1039/d3mh00096f","","","0.71073","MoKα","","0.055","0.0468","","","0.1206","0.1251","","","","","","1.023","","","","has coordinates","284984","2023-07-05","11:06:30",""
"1568576","13.6639","0.0013","9.0204","0.0008","14.8989","0.0019","90","","115.024","0.003","90","","1664","0.3","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 N2 S6 Zn -","- C10 H10 N2 S6 Zn -","- C40 H40 N8 S24 Zn4 -","4","0.5","","Zhou, Pan-Ke; Lin, Xiao-Li; Chee, Mun Yin; Lew, Wen Siang; Zeng, Tao; Li, Hao-Hong; Chen, Xiong; Chen, Zhi-Rong; Zheng, Hui-Dong","Switching the memory behaviour from binary to ternary by triggering S<sub>6</sub><sup>2-</sup> relaxation in polysulfide-bearing zinc-organic complex molecular memories.","Materials horizons","2023","10","7","2535","2541","10.1039/d3mh00037k","","","0.71073","MoKα","","0.0652","0.0315","","","0.0573","0.0647","","","","","","1.004","","","","has coordinates","284985","2023-07-05","11:06:43",""
"1568577","8.1617","0.0009","9.4765","0.001","12.0105","0.0015","109.535","0.004","99.066","0.004","100.714","0.004","835.64","0.17","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 N2 S6 Zn -","- C12 H8 N2 S6 Zn -","- C24 H16 N4 S12 Zn2 -","2","1","","Zhou, Pan-Ke; Lin, Xiao-Li; Chee, Mun Yin; Lew, Wen Siang; Zeng, Tao; Li, Hao-Hong; Chen, Xiong; Chen, Zhi-Rong; Zheng, Hui-Dong","Switching the memory behaviour from binary to ternary by triggering S<sub>6</sub><sup>2-</sup> relaxation in polysulfide-bearing zinc-organic complex molecular memories.","Materials horizons","2023","10","7","2535","2541","10.1039/d3mh00037k","","","0.71073","MoKα","","0.0922","0.0667","","","0.1693","0.1863","","","","","","1.065","","","","has coordinates","284985","2023-07-05","11:06:44",""
"1568578","9.175","0.0013","9.797","0.002","11.3263","0.0017","83.744","0.007","75.751","0.005","62.164","0.004","872.6","0.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","11","","- C12 H14 N2 S6 Zn -","- C12 H14 N2 S6 Zn -","- C24 H28 N4 S12 Zn2 -","2","1","","Zhou, Pan-Ke; Lin, Xiao-Li; Chee, Mun Yin; Lew, Wen Siang; Zeng, Tao; Li, Hao-Hong; Chen, Xiong; Chen, Zhi-Rong; Zheng, Hui-Dong","Switching the memory behaviour from binary to ternary by triggering S<sub>6</sub><sup>2-</sup> relaxation in polysulfide-bearing zinc-organic complex molecular memories.","Materials horizons","2023","10","7","2535","2541","10.1039/d3mh00037k","","","0.71073","MoKα","","0.0571","0.0549","","","0.1269","0.1285","","","","","","1.029","","","","has coordinates","284985","2023-07-05","11:06:44",""
"1568579","18.958","0.004","7.3171","0.0017","22.257","0.005","90","","101.81","0.007","90","","3022.1","1.2","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 N2 S6 Zn -","- C10 H8 N2 S6 Zn -","- C80 H64 N16 S48 Zn8 -","8","1","","Zhou, Pan-Ke; Lin, Xiao-Li; Chee, Mun Yin; Lew, Wen Siang; Zeng, Tao; Li, Hao-Hong; Chen, Xiong; Chen, Zhi-Rong; Zheng, Hui-Dong","Switching the memory behaviour from binary to ternary by triggering S<sub>6</sub><sup>2-</sup> relaxation in polysulfide-bearing zinc-organic complex molecular memories.","Materials horizons","2023","10","7","2535","2541","10.1039/d3mh00037k","","","0.71073","MoKα","","0.1132","0.0525","","","0.0984","0.1175","","","","","","1.008","","","","has coordinates","284985","2023-07-05","11:06:44",""
"1568697","8.2666","0.0003","5.6858","0.0002","15.5021","0.0007","90","","91.087","0.004","90","","728.5","0.05","296","","296","","","","","","","","","3","P 1 n 1","P -2yac","7","APHTZ","5-(4-aminophenyl)-1H-tetrazole","","- C7 H7 N5 -","- C7 H7 N5 -","- C28 H28 N20 -","4","2","","Horiuchi, Sachio; Minemawari, Hiromi; Ishibashi, Shoji","Competition of polar and antipolar states hidden behind a variety of polarization switching modes in hydrogen-bonded molecular chains.","Materials horizons","2023","10","6","2149","2159","10.1039/d2mh01530g","","","0.71075","MoKα","","0.0434","0.0328","","","0.0807","0.0851","","","","","","1.038","","","","has coordinates","284983","2023-07-05","11:06:13",""
"1568698","8.0914","0.0018","5.9622","0.0013","14.789","0.004","90","","92.037","0.005","90","","713","0.3","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","FPHTZ","5-(4-fluorophenyl)-1H-tetrazole","","- C7 H5 F N4 -","- C7 H5 F N4 -","- C28 H20 F4 N16 -","4","1","","Horiuchi, Sachio; Minemawari, Hiromi; Ishibashi, Shoji","Competition of polar and antipolar states hidden behind a variety of polarization switching modes in hydrogen-bonded molecular chains.","Materials horizons","2023","10","6","2149","2159","10.1039/d2mh01530g","","","0.71075","MoKα","","0.0411","0.0376","","","0.1043","0.1082","","","","","","1.069","","","","has coordinates","284983","2023-07-05","11:06:14",""
"1568699","9.457","0.003","11.427","0.003","7.298","0.002","90","","107.987","0.006","90","","750.1","0.4","295","","295","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","CPHTZ","5-(4-chlorophenyl)-1H-tetrazole","","- C7 H5 Cl N4 -","- C7 H5 Cl N4 -","- C28 H20 Cl4 N16 -","4","1","","Horiuchi, Sachio; Minemawari, Hiromi; Ishibashi, Shoji","Competition of polar and antipolar states hidden behind a variety of polarization switching modes in hydrogen-bonded molecular chains.","Materials horizons","2023","10","6","2149","2159","10.1039/d2mh01530g","","","0.71075","MoKα","","0.0447","0.0399","","","0.1119","0.1168","","","","","","1.074","","","","has coordinates","284983","2023-07-05","11:06:14",""
"1568700","9.7712","0.0005","9.0593","0.0004","17.7198","0.001","90","","90","","90","","1568.56","0.14","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","MPHTZ","5-p-tolyl-1H-tetrazole","","- C8 H8 N4 -","- C8 H8 N4 -","- C64 H64 N32 -","8","1","","Horiuchi, Sachio; Minemawari, Hiromi; Ishibashi, Shoji","Competition of polar and antipolar states hidden behind a variety of polarization switching modes in hydrogen-bonded molecular chains.","Materials horizons","2023","10","6","2149","2159","10.1039/d2mh01530g","","","0.71073","MoKα","","0.0524","0.0411","","","0.1334","0.1413","","","","","","1.092","","","","has coordinates","284983","2023-07-05","11:06:14",""
"1568701","4.0674","0.0003","16.0311","0.0008","10.1239","0.0005","90","","90","","90","","660.13","0.07","296","","296","","","","","","","","","4","P b c m","-P 2c 2b","57","DM-BIM","2-Bromo-4,5-dimethyl-1H-imidazole","","- C5 H7 Br N2 -","- C5 H7 Br N2 -","- C20 H28 Br4 N8 -","4","0.5","","Horiuchi, Sachio; Minemawari, Hiromi; Ishibashi, Shoji","Competition of polar and antipolar states hidden behind a variety of polarization switching modes in hydrogen-bonded molecular chains.","Materials horizons","2023","10","6","2149","2159","10.1039/d2mh01530g","","","0.71075","MoKα","","0.0382","0.0272","","","0.0716","0.0753","","","","","","1.073","","","","has coordinates","284983","2023-07-05","11:06:14",""
"1568702","10.3316","0.0019","9.7732","0.0016","9.7411","0.0018","90","","116.898","0.003","90","","877.2","0.3","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TFPHTZ","5-(4-trifluoromethylphenyl)-1H-tetrazole","","- C8 H5 F3 N4 -","- C8 H5 F3 N4 -","- C32 H20 F12 N16 -","4","1","","Horiuchi, Sachio; Minemawari, Hiromi; Ishibashi, Shoji","Competition of polar and antipolar states hidden behind a variety of polarization switching modes in hydrogen-bonded molecular chains.","Materials horizons","2023","10","6","2149","2159","10.1039/d2mh01530g","","","0.71075","MoKα","","0.0487","0.0452","","","0.1277","0.132","","","","","","1.062","","","","has coordinates","284983","2023-07-05","11:06:14",""
"1568703","9.8121","0.0007","15.2562","0.0014","4.5459","0.0004","90","","90","","90","","680.5","0.1","296","","296","","","","","","","","","3","A m a 2","A 2 -2a","40","PHTZ","5-phenyl-1H-tetrazole","","- C7 H6 N4 -","- C7 H6 N4 -","- C28 H24 N16 -","4","0.5","","Horiuchi, Sachio; Minemawari, Hiromi; Ishibashi, Shoji","Competition of polar and antipolar states hidden behind a variety of polarization switching modes in hydrogen-bonded molecular chains.","Materials horizons","2023","10","6","2149","2159","10.1039/d2mh01530g","","","0.71075","MoKα","","0.0354","0.0297","","","0.0709","0.0732","","","","","","1.049","","","","has coordinates","284983","2023-07-05","11:06:14",""
"1568793","57.933","0.007","57.933","0.007","57.933","0.007","90","","90","","90","","194437","4","100","2","100","2","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","","","","- C522 H496 N72 Ni52 O264 -","- C522 H496 N72 Ni52 O264 -","- C4176 H3968 N576 Ni416 O2112 -","8","0.0833333","","Nguyen, Thanh Nhan; Nguyen, Anh Ngoc; Tran, Ngoc Minh; Park, In Hyeok; Yoo, Hyojong","Hierarchical packing of racemic metallosupramolecular cages with Ni(II)-based triple-stranded helicate building blocks.","IUCrJ","2023","10","3","","","10.1107/S2052252523002385","","","0.71073","MoKα","","0.0484","0.0408","","","0.1171","0.1209","","","","","","1.053","","","","has coordinates","282412","2023-04-05","11:40:08",""
"1568794","58.6","0.007","58.6","0.007","58.6","0.007","90","","90","","90","","201230","4","100","2","100","2","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","","","","- C540 H544 N60 Ni52 O264 -","- C540 H544 N60 Ni52 O264 -","- C4320 H4352 N480 Ni416 O2112 -","8","0.0833333","","Nguyen, Thanh Nhan; Nguyen, Anh Ngoc; Tran, Ngoc Minh; Park, In Hyeok; Yoo, Hyojong","Hierarchical packing of racemic metallosupramolecular cages with Ni(II)-based triple-stranded helicate building blocks.","IUCrJ","2023","10","3","","","10.1107/S2052252523002385","","","0.7","synchrotron","","0.0639","0.05","","","0.1555","0.165","","","","","","1.025","","","","has coordinates,has disorder","282412","2023-04-05","11:40:09",""
"1568795","58.069","0.007","58.069","0.007","58.069","0.007","90","","90","","90","","195809","4","100","2","100","2","","","","","","","","6","F d -3 :2","-F 2uv 2vw 3","203","","","","- C504 H442 Br18 N72 Ni52 O264 -","- C504 H442 Br18 N72 Ni52 O264 -","- C4032 H3536 Br144 N576 Ni416 O2112 -","8","0.0833333","","Nguyen, Thanh Nhan; Nguyen, Anh Ngoc; Tran, Ngoc Minh; Park, In Hyeok; Yoo, Hyojong","Hierarchical packing of racemic metallosupramolecular cages with Ni(II)-based triple-stranded helicate building blocks.","IUCrJ","2023","10","3","","","10.1107/S2052252523002385","","","0.71073","MoKα","","0.0653","0.0592","","","0.1607","0.1646","","","","","","1.026","","","","has coordinates","282412","2023-04-05","11:40:09",""
"1568796","58.38","0.007","58.38","0.007","58.38","0.007","90","","90","","90","","198972","4","100","2","100","2","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","","","","- C522 H496 Co52 N72 O264 -","- C522 H496 Co52 N72 O264 -","- C4176 H3968 Co416 N576 O2112 -","8","0.0833333","","Nguyen, Thanh Nhan; Nguyen, Anh Ngoc; Tran, Ngoc Minh; Park, In Hyeok; Yoo, Hyojong","Hierarchical packing of racemic metallosupramolecular cages with Ni(II)-based triple-stranded helicate building blocks.","IUCrJ","2023","10","3","","","10.1107/S2052252523002385","","","0.7","synchrotron","","0.0457","0.0413","","","0.1144","0.1171","","","","","","1.067","","","","has coordinates,has disorder","282412","2023-04-05","11:40:09",""
"1568858","11.4014","0.0005","16.6771","0.0007","22.4823","0.0009","99.153","0.002","96.453","0.002","91.012","0.002","4190.9","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C104 H96 Cl2 D6 O3 P4 Rh2 -","- C104 H96 Cl2 D6 O3 P4 Rh2 -","- C208 H192 Cl4 D12 O6 P8 Rh4 -","2","1","","Bush, Nancy G.; Assefa, Mikiyas K.; Bac, Selin; Mallikarjun Sharada, Shaama; Fieser, Megan E.","Controlling selectivity for dechlorination of poly(vinyl chloride) with (xantphos)RhCl.","Materials horizons","2023","10","6","2047","2052","10.1039/d2mh01293f","","","1.54178","CuKα","","0.0294","0.0276","","","0.0697","0.0711","","","","","","1.048","","","","has coordinates","284982","2023-07-05","11:05:49",""
"1568921","11.2185","0.0002","10.2204","0.0002","13.5244","0.0002","90","","106.427","0.001","90","","1487.38","0.05","116","","116","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C32 H31 K O14 -","- C32 H31 K O14 -","- C64 H62 K2 O28 -","2","0.5","LQ5051","Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J.","Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation.","IUCrJ","2023","10","3","","","10.1107/S205225252300266X","","","1.54178","CuKα","","0.0564","0.0537","","","0.1577","0.1613","","","","","","1.071","","","","has coordinates","282789","2023-04-21","01:46:24",""
"1568922","19.4072","0.0008","20.4384","0.0008","17.3645","0.0011","90","","104.006","0.005","90","","6682.9","0.6","113.15","","113.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H33 K O13 -","- C34 H33 K O13 -","- C272 H264 K8 O104 -","8","1","","Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J.","Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation.","IUCrJ","2023","10","3","","","10.1107/S205225252300266X","","x-ray","0.71073","MoKα","","0.1026","0.0798","","","0.1886","0.205","","","","","","1.025","","","","has coordinates,has disorder","282789","2023-04-21","01:46:25",""
"1568923","19.6211","0.0003","20.3628","0.0003","17.2684","0.0003","90","","104.282","0.001","90","","6686.19","0.19","113","","113","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H31 K O13 -","- C33 H31 K O13 -","- C264 H248 K8 O104 -","8","1","","Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J.","Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation.","IUCrJ","2023","10","3","","","10.1107/S205225252300266X","","","1.54178","CuKα","","0.0564","0.0554","","","0.1437","0.1465","","","","","","1.131","","","","has coordinates,has disorder","282789","2023-04-21","01:46:25",""
"1568924","13.9343","0.0003","7.8657","0.0002","31.4425","0.0007","90","","90","","90","","3446.19","0.14","113","","113","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H19 K O9 -","- C16 H19 K O9 -","- C128 H152 K8 O72 -","8","1","","Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J.","Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation.","IUCrJ","2023","10","3","","","10.1107/S205225252300266X","","","1.54178","CuKα","","0.0475","0.0454","","","0.1151","0.1165","","","","","","1.08","","","","has coordinates,has disorder","282789","2023-04-21","01:46:25",""
"1568925","10.7741","0.0006","9.6357","0.0006","13.8452","0.0009","90","","107.103","0.002","90","","1373.79","0.15","150","","150","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C16 H13.5 Na0.5 O6 -","- C16 H13.5 Na0.5 O6 -","- C64 H54 Na2 O24 -","4","1","","Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J.","Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation.","IUCrJ","2023","10","3","","","10.1107/S205225252300266X","","x-ray","0.71073","MoKα","","0.0573","0.0425","","","0.1103","0.1168","","","","","","1.074","","","","has coordinates","282789","2023-04-21","01:46:25",""
"1568926","10.8865","0.0005","10.9884","0.0006","16.1451","0.0008","81.871","0.004","74.681","0.005","68.049","0.005","1725.73","0.17","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H39 Na O14 -","- C36 H39 Na O14 -","- C72 H78 Na2 O28 -","2","1","","Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J.","Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation.","IUCrJ","2023","10","3","","","10.1107/S205225252300266X","","x-ray","0.71073","MoKα","","0.0845","0.0607","","","0.143","0.1648","","","","","","1.047","","","","has coordinates,has disorder","282789","2023-04-21","01:46:25",""
"1568927","11.0666","0.0004","13.2714","0.0004","10.0412","0.0003","90","","94.43","0.001","90","","1470.34","0.08","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Na O7 -","- C16 H15 Na O7 -","- C64 H60 Na4 O28 -","4","1","","Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J.","Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation.","IUCrJ","2023","10","3","","","10.1107/S205225252300266X","","x-ray","0.71073","MoKα","","0.062","0.0475","","","0.1158","0.1244","","","","","","1.043","","","","has coordinates,has disorder","282789","2023-04-21","01:46:25",""
"1568976","22.0822","0.0004","22.0822","0.0004","6.1544","0.0002","90","","90","","120","","2598.97","0.11","293","2","293","2","","","","","","","","7","P 63 m c","P 6c -2c","186","Rb3K6Li2Mn4Ga12S27Cl1","","","- Cl Ga12 K6 Li2 Mn4 Rb3 S27 -","- Cl Ga12 K6 Li2.0001 Mn3.9999 Rb3 S27 -","- Cl2 Ga24 K12 Li4.0002 Mn7.9998 Rb6 S54 -","2","0.166667","","Pei, Shao-Min; Liu, Bin-Wen; Chen, Wen-Fa; Jiang, Xiao-Ming; Guo, Guo-Cong","Breaking the bottleneck of simultaneously wide band gap and large nonlinear optical coefficient by a ""pore reconstruction"" strategy in a salt-inclusion chalcogenide.","Materials horizons","2023","10","8","2921","2926","10.1039/d3mh00389b","","","0.71073","MoKα","","0.0617","0.0573","","","0.1829","0.1883","","","","","","1.064","","","","has coordinates","285538","2023-08-05","09:39:00",""
"1569103","25.8992","0.001","25.3671","0.001","38.125","0.002","90","","92.409","0.001","90","","25025.5","1.9","193","2","193","2","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C162 H324 K9 Mo3 N18 O54 Sb24 -","- C162 H324 K9 Mo3 N18 O54 Sb24 -","- C648 H1296 K36 Mo12 N72 O216 Sb96 -","4","1","","Wang, Hui; Chen, Jia-Xiong; Zhou, Lu; Zhang, Xi; Yu, Jia; Wang, Kai; Zhang, Xiao-Hong","A dual-locked triarylamine donor enables high-performance deep-red/NIR thermally activated delayed fluorescence organic light-emitting diodes.","Materials horizons","2023","10","8","2997","3004","10.1039/d3mh00445g","","","0.71073","MoKα","","0.0951","0.0548","","","0.1285","0.1443","","","","","","0.987","","","","has coordinates,has disorder","285539","2023-08-05","09:39:24",""
"1569216","15.808","0.003","15.808","0.003","7.9627","0.0018","90","","90","","90","","1989.8","0.7","120","2","120","2","","","","","","","","5","P 42","P 4c","77","","","","- C6 H16 B F4 N -","- C6 H16 B F4 N -","- C48 H128 B8 F32 N8 -","8","2","","Sahoo, Supriya; Kothavade, Premkumar Anil; Naphade, Dipti R.; Torris, Arun; Praveenkumar, Balu; Zaręba, Jan K; Anthopoulos, Thomas D.; Shanmuganathan, Kadhiravan; Boomishankar, Ramamoorthy","3D-printed polymer composite devices based on a ferroelectric chiral ammonium salt for high-performance piezoelectric energy harvesting.","Materials horizons","2023","10","8","3153","3161","10.1039/d3mh00444a","","","0.71073","MoKα","","0.0932","0.0896","","","0.2317","0.2359","","","","","","1.805","","","","has coordinates","285537","2023-08-05","09:38:44",""
"1569217","15.93","0.03","15.93","0.03","8.241","0.016","90","","90","","90","","2091","7","298","2","298","2","","","","","","","","5","P 42","P 4c","77","","","","- C6 H16 B F4 N -","- C6 H16 B F4 N -","- C48 H128 B8 F32 N8 -","8","2","","Sahoo, Supriya; Kothavade, Premkumar Anil; Naphade, Dipti R.; Torris, Arun; Praveenkumar, Balu; Zaręba, Jan K; Anthopoulos, Thomas D.; Shanmuganathan, Kadhiravan; Boomishankar, Ramamoorthy","3D-printed polymer composite devices based on a ferroelectric chiral ammonium salt for high-performance piezoelectric energy harvesting.","Materials horizons","2023","10","8","3153","3161","10.1039/d3mh00444a","","","0.71073","MoKα","","0.1628","0.085","","","0.2143","0.2837","","","","","","1.023","","","","has coordinates,has disorder","285537","2023-08-05","09:38:48",""
"1569367","9.1959","0.0006","13.4702","0.001","10.7519","0.0006","90","","91.216","0.005","90","","1331.54","0.15","292.26","0.1","292.26","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H11 N O2 -","- C20 H11 N O2 -","- C80 H44 N4 O8 -","4","0.5","","Wu, Yimin; Liu, Xiaoyu; Liu, Junjie; Yang, Ge; Han, Songyan; Yang, Dezhi; Cao, Xiaosong; Ma, Dongge; Bin, Zhengyang; You, Jingsong","Geometry engineering of a multiple resonance core <i>via</i> a phenyl-embedded strategy toward highly efficient narrowband blue OLEDs.","Materials horizons","2023","10","9","3785","3790","10.1039/d3mh00617d","","x-ray","1.54184","CuKα","","0.0742","0.0719","","","0.1623","0.1673","","","","","","1.08","","","","has coordinates","286199","2023-09-05","20:28:27",""
"1569368","8.0822","0.0016","11.034","0.0019","11.143","0.002","61.646","0.006","69.236","0.004","83.968","0.006","815.3","0.3","308","2","308","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H13 N O2 -","- C24 H13 N O2 -","- C48 H26 N2 O4 -","2","1","","Wu, Yimin; Liu, Xiaoyu; Liu, Junjie; Yang, Ge; Han, Songyan; Yang, Dezhi; Cao, Xiaosong; Ma, Dongge; Bin, Zhengyang; You, Jingsong","Geometry engineering of a multiple resonance core <i>via</i> a phenyl-embedded strategy toward highly efficient narrowband blue OLEDs.","Materials horizons","2023","10","9","3785","3790","10.1039/d3mh00617d","","","0.71073","MoKα","","0.065","0.0429","","","0.1031","0.1158","","","","","","1.03","","","","has coordinates","286199","2023-09-05","20:28:27",""
"1569369","15.167","0.0004","10.9238","0.0004","11.5354","0.0004","90","","94.397","0.003","90","","1905.57","0.11","293.9","0.2","293.9","0.2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C28 H15 N O2 -","- C28 H15 N O2 -","- C112 H60 N4 O8 -","4","0.5","","Wu, Yimin; Liu, Xiaoyu; Liu, Junjie; Yang, Ge; Han, Songyan; Yang, Dezhi; Cao, Xiaosong; Ma, Dongge; Bin, Zhengyang; You, Jingsong","Geometry engineering of a multiple resonance core <i>via</i> a phenyl-embedded strategy toward highly efficient narrowband blue OLEDs.","Materials horizons","2023","10","9","3785","3790","10.1039/d3mh00617d","","x-ray","1.54184","CuKα","","0.0637","0.0606","","","0.1541","0.1589","","","","","","1.081","","","","has coordinates","286199","2023-09-05","20:28:27",""
"1569370","14.7721","0.0008","14.0494","0.0008","12.9393","0.0007","90","","120.406","0.003","90","","2316.1","0.2","197","2","197","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H23 N O4 -","- C30 H23 N O4 -","- C120 H92 N4 O16 -","4","0.5","","Wu, Yimin; Liu, Xiaoyu; Liu, Junjie; Yang, Ge; Han, Songyan; Yang, Dezhi; Cao, Xiaosong; Ma, Dongge; Bin, Zhengyang; You, Jingsong","Geometry engineering of a multiple resonance core <i>via</i> a phenyl-embedded strategy toward highly efficient narrowband blue OLEDs.","Materials horizons","2023","10","9","3785","3790","10.1039/d3mh00617d","","","0.71073","MoKα","","0.0586","0.0392","","","0.0939","0.1024","","","","","","1.048","","","","has coordinates","286199","2023-09-05","20:28:27",""
"1569371","3.7973","0.0003","17.7163","0.0014","19.1364","0.0015","90","","90","","90","","1287.38","0.18","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H9 N O2 -","- C20 H9 N O2 -","- C80 H36 N4 O8 -","4","1","","Wu, Yimin; Liu, Xiaoyu; Liu, Junjie; Yang, Ge; Han, Songyan; Yang, Dezhi; Cao, Xiaosong; Ma, Dongge; Bin, Zhengyang; You, Jingsong","Geometry engineering of a multiple resonance core <i>via</i> a phenyl-embedded strategy toward highly efficient narrowband blue OLEDs.","Materials horizons","2023","10","9","3785","3790","10.1039/d3mh00617d","","","0.71073","MoKα","","0.1299","0.059","","","0.1039","0.1322","","","","","","1.019","","","","has coordinates","286199","2023-09-05","20:28:27",""
"1569372","16.208","0.004","4.087","0.001","12.278","0.002","90","","90","","90","","813.3","0.3","200","2","200","","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- C26 H13 N O2 -","- C26 H13 N O2 -","- C52 H26 N2 O4 -","2","0.5","","Wu, Yimin; Liu, Xiaoyu; Liu, Junjie; Yang, Ge; Han, Songyan; Yang, Dezhi; Cao, Xiaosong; Ma, Dongge; Bin, Zhengyang; You, Jingsong","Geometry engineering of a multiple resonance core <i>via</i> a phenyl-embedded strategy toward highly efficient narrowband blue OLEDs.","Materials horizons","2023","10","9","3785","3790","10.1039/d3mh00617d","","","0.71073","MoKα","","0.0632","0.0448","","","0.0901","0.0994","","","","","","1.059","","","","has coordinates","286199","2023-09-05","20:28:27",""
"1569373","14.4911","0.001","17.4128","0.0012","32.32","0.002","90","","99.617","0.003","90","","8040.7","0.9","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H33 B2 N3 O -","- C52 H33 B2 N3 O -","- C416 H264 B16 N24 O8 -","8","2","","Zou, Yang; He, Jiawei; Li, Nengquan; Hu, Yuxuan; Luo, Sai; Cao, Xiaosong; Yang, Chuluo","Precisely regulating the double-boron-based multi-resonance framework towards pure-red emitters: high-performance OLEDs with CIE coordinates fully satisfying the BT. 2020 standard.","Materials horizons","2023","10","9","3712","3718","10.1039/d3mh00800b","","","1.34139","GaKα","","0.1466","0.1087","","","0.3062","0.3387","","","","","","1.034","","","","has coordinates","286200","2023-09-05","20:28:38",""
"1569410","8.0781","0.001","4.793","0.0006","18.345","0.002","90","","90.223","0.008","90","","710.28","0.15","296","2","296","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","Leucopterin hemihydrate","","- C12 H12 N10 O7 -","- C12 H12 N10 O7 -","- C24 H24 N20 O14 -","2","0.5","LT5058","Bravetti, Federica; Tapmeyer, Lukas; Skorodumov, Kathrin; Alig, Edith; Habermehl, Stefan; Hühn, Robert; Bordignon, Simone; Gallo, Angelo; Nervi, Carlo; Chierotti, Michele R.; Schmidt, Martin U.","Leucopterin, the white pigment in butterfly wings: structural analysis by PDF fit, FIDEL fit, Rietveld refinement, solid-state NMR and DFT-D.","IUCrJ","2023","10","4","448","463","10.1107/S2052252523004281","","","1.54178","CuKα","","0.1461","0.1413","","","0.4417","0.4451","","","","","","2.411","","","","has coordinates","284769","2023-07-04","01:53:56",""
"1569411","8.10257","0.0004","4.83656","0.00029","17.8289","0.0014","90","","88.531","0.0042","90","","698.46","0.08","296","2","296","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","Leucopterin (variable hydrate) Remark: According to Rietveld refinement, the structure contains a partially occupied H2O molecule, which is represented by a single oxygen atom O1W. Its occupancy value Occ(O1W) = 0.421(8) corresponds to 0.17 H2O per leucopterin molecule. But this value is very uncertain (Powder data of limited quality). Hence, the water content of this structure should be regarded as being between 0 and 0.2 molecules of water per leucopterin molecule. The crystal structure and the tautomeric state were confirmed by DFT-D and SSNMR.","","","- C6 H5.34 N5 O3.17 -","- C6 H5 N5 O3.2106 -","- C24 H20 N20 O12.8424 -","4","1","LT5058","Bravetti, Federica; Tapmeyer, Lukas; Skorodumov, Kathrin; Alig, Edith; Habermehl, Stefan; Hühn, Robert; Bordignon, Simone; Gallo, Angelo; Nervi, Carlo; Chierotti, Michele R.; Schmidt, Martin U.","Leucopterin, the white pigment in butterfly wings: structural analysis by PDF fit, FIDEL fit, Rietveld refinement, solid-state NMR and DFT-D.","IUCrJ","2023","10","4","448","463","10.1107/S2052252523004281","powder diffraction","","1.54056","CuKα~1~","","0.01192","","","","","","","","1.591","","","","","","","has coordinates","287932","2023-12-01","13:55:15",""
"1569412","35.5224","0.0006","14.9127","0.0002","30.922","0.0005","90","","102.4","0.002","90","","15998.3","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Benzyl Biaryl Alcohol-9-Methyl (absorbed in crystalline sponge)","(2',3',6'-trimethyl-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C53.14 H44.05 I6 N12 O1.01 Zn3 -","- C53.1402 H44.0508 I6.0002 N12 O1.0132 Zn3.0001 -","- C425.122 H352.406 I48.0016 N96 O8.1056 Zn24.0008 -","8","1","LT5059","Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.","A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges","IUCrJ","2023","10","4","497","508","10.1107/S2052252523005146","","x-ray","1.54184","CuKα","","0.0519","0.048","","","0.1424","0.1447","","","","","","1.163","","","","has coordinates,has disorder","284770","2023-07-04","02:00:11",""
"1569413","35.6703","0.0005","14.9029","0.0002","30.5678","0.0006","90","","102.121","0.0015","90","","15887.3","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Benzyl Biaryl Alcohol (absorbed in crystalline sponge)","(2',6'-dimethyl-[1,1'-biphenyl]-2-yl)methanol (absorbed into crystalline sponge)","","- C55.92 H45.25 I6 N12 O1.33 Zn3 -","- C55.923 H45.2512 I6 N12 O1.3282 Zn3 -","- C447.384 H362.01 I48 N96 O10.6256 Zn24 -","8","1","","Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.","A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges","IUCrJ","2023","10","4","497","508","10.1107/S2052252523005146","","x-ray","1.54178","CuKα","","0.0909","0.089","","","0.2098","0.2106","","","","","","1.208","","","","has coordinates,has disorder","284770","2023-07-04","02:00:17",""
"1569414","14.8189","0.0003","19.1026","0.0003","31.814","0.0004","101.557","0.001","92.34","0.002","110.826","0.002","8184.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Benzyl Biaryl Alcohol-3-Methyl (absorbed in crystalline sponge)","(2',6,6'-trimethyl-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C53.17 H48.75 I6.01 N12 O0.62 Zn3.01 -","- C53.1649 H48.7479 I6.014 N12 O0.61485 Zn3.007 -","- C212.66 H194.992 I24.056 N48 O2.4594 Zn12.028 -","4","2","","Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.","A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges","IUCrJ","2023","10","4","497","508","10.1107/S2052252523005146","","x-ray","1.54184","CuKα","","0.0772","0.0644","","","0.2018","0.2161","","","","","","1.034","","","","has coordinates,has disorder","284770","2023-07-04","02:00:17",""
"1569415","35.62","0.002","14.9567","0.0003","30.9945","0.0016","90","","102.899","0.006","90","","16095.9","1.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Benzyl Biaryl Alcohol-10-Nitrile (absorbed in crystalline sponge)","2'-(hydroxymethyl)-2,6-dimethyl-[1,1'-biphenyl]-4-carbonitrile (absorbed in crystalline sponge)","","- C45.94 H34.64 I6 N12.54 O0.54 Zn3 -","- C45.9376 H34.6425 I5.9998 N12.5431 O0.5431 Zn2.9999 -","- C367.501 H277.14 I47.9984 N100.345 O4.3448 Zn23.9992 -","8","1","","Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.","A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges","IUCrJ","2023","10","4","497","508","10.1107/S2052252523005146","","x-ray","1.54184","CuKα","","0.1468","0.128","","","0.3303","0.3424","","","","","","1.094","","","","has coordinates,has disorder","284770","2023-07-04","02:00:17",""
"1569416","35.3379","0.0007","14.8649","0.0002","31.6259","0.0007","90","","102.979","0.002","90","","16188.5","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Phenyl Biaryl Alcohol-12-Methoxy (absorbed in crystalline sponge)","2'-methoxy-6'-methyl-[1,1'-biphenyl]-2-ol (absorbed in crystalline sponge)","","- C45.57 H34.77 I6 N12 O1.2 Zn3 -","- C45.5678 H34.7678 I6.0014 N12 O1.1954 Zn3.0007 -","- C364.542 H278.142 I48.0112 N96 O9.5632 Zn24.0056 -","8","1","","Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.","A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges","IUCrJ","2023","10","4","497","508","10.1107/S2052252523005146","","x-ray","1.54184","CuKα","","0.0694","0.0637","","","0.2014","0.2097","","","","","","1.045","","","","has coordinates,has disorder","284770","2023-07-04","02:00:18",""
"1569417","31.5077","0.0005","14.9991","0.0001","34.4289","0.0006","90","","102.086","0.001","90","","15910","0.4","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","Benzyl Biaryl Alcohol-8,12-Methoxy (absorbed in crystalline sponge)","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C50.67 H46.7 I6 N12 O1.42 Zn3 -","- C50.6748 H46.6996 I5.9998 N12 O1.425 Zn2.9999 -","- C405.398 H373.597 I47.9984 N96 O11.4 Zn23.9992 -","8","2","","Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.","A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges","IUCrJ","2023","10","4","497","508","10.1107/S2052252523005146","","x-ray","1.54184","CuKα","","0.0851","0.0709","","","0.2087","0.2206","","","","","","1.057","","","","has coordinates,has disorder","284770","2023-07-04","02:00:18",""
"1569418","34.533","0.003","15.0103","0.0009","30.9081","0.0014","90","","101.4","0.006","90","","15705.2","1.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Benzyl Biaryl Alcohol-8,10,12-Methoxy (absorbed in crystalline sponge)","(2',4',6'-trimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C54.39 H49.06 I6 N12 O3.35 Zn3 -","- C54.385 H49.0548 I6 N12 O3.3472 Zn3 -","- C435.08 H392.438 I48 N96 O26.7776 Zn24 -","8","1","","Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.","A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges","IUCrJ","2023","10","4","497","508","10.1107/S2052252523005146","","x-ray","1.54184","CuKα","","0.1297","0.1172","","","0.2681","0.2736","","","","","","1.134","","","","has coordinates,has disorder","284770","2023-07-04","02:00:18",""
"1569419","35.4079","0.0004","14.9066","0.0002","31.8633","0.0003","90","","103.664","0.001","90","","16341.8","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Phenyl Biaryl Alcohol (absorbed in crystalline sponge)","2'-methyl-[1,1'-biphenyl]-2-ol (absorbed in crystalline sponge)","","- C56.93 H43.09 I6.02 N12 O1.61 Zn3.01 -","- C56.9261 H43.2908 I6.0178 N12 O1.6097 Zn3.0089 -","- C455.409 H346.326 I48.1424 N96 O12.8776 Zn24.0712 -","8","1","","Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.","A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges","IUCrJ","2023","10","4","497","508","10.1107/S2052252523005146","","x-ray","1.54184","CuKα","","0.0511","0.0488","","","0.1542","0.1568","","","","","","1.063","","","","has coordinates,has disorder","284770","2023-07-04","02:00:18",""
"1569420","35.6889","0.0007","14.8458","0.0002","31.8064","0.0006","90","","103.685","0.002","90","","16373.6","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Phenyl Biaryl Alcohol-2-Fluorine (absorbed in crystalline sponge)","6-fluoro-2'-methyl-[1,1'-biphenyl]-2-ol (absorbed in crystalline sponge)","","- C44.23 H30.91 F0.63 I6 N12 O0.63 Zn3 -","- C44.229 H30.913 F0.633 I6.0014 N12 O0.633 Zn3.0007 -","- C353.832 H247.304 F5.064 I48.0112 N96 O5.064 Zn24.0056 -","8","1","","Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.","A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges","IUCrJ","2023","10","4","497","508","10.1107/S2052252523005146","","x-ray","1.54184","CuKα","","0.066","0.0577","","","0.1849","0.1953","","","","","","1.031","","","","has coordinates,has disorder","284770","2023-07-04","02:00:18",""
"1569421","35.7099","0.0002","14.85945","0.0001","31.593","0.00019","90","","103.011","0.0006","90","","16333.8","0.18","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Phenyl Biaryl Alcohol-2-Fluorine (absorbed in crystalline sponge)","5-fluoro-2'-methyl-[1,1'-biphenyl]-2-ol (absorbed in crystalline sponge)","","- C48.16 H34.29 F0.94 I6 N12 O0.94 Zn3 -","- C48.1654 H34.2938 F0.9358 I6.0018 N12 O0.9358 Zn3.0009 -","- C385.323 H274.35 F7.4864 I48.0144 N96 O7.4864 Zn24.0072 -","8","1","","Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.","A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges","IUCrJ","2023","10","4","497","508","10.1107/S2052252523005146","","x-ray","1.54184","CuKα","","0.0495","0.0481","","","0.1533","0.155","","","","","","1.049","","","","has coordinates,has disorder","284770","2023-07-04","02:00:18",""
"1569422","14.778","0.0005","18.2345","0.0005","30.797","0.0005","98.227","0.002","91.736","0.002","113.055","0.003","7523.4","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Phenyl Biaryl Alcohol-2,6-Iodine (absorbed in crystalline sponge)","3,5-diiodo-2'-methyl-[1,1'-biphenyl]-2-ol (absorbed in crystalline sponge)","","- C22.86 H16.22 I3.75 N6 O0.37 Zn1.5 -","- C22.8571 H16.2183 I3.74725 N6 O0.373625 Zn1.5 -","- C182.857 H129.746 I29.978 N48 O2.989 Zn12 -","8","4","","Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.","A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges","IUCrJ","2023","10","4","497","508","10.1107/S2052252523005146","","x-ray","1.54184","CuKα","","0.1003","0.0922","","","0.2964","0.307","","","","","","1.356","","","","has coordinates,has disorder","284770","2023-07-04","02:00:18",""
"1569423","35.5509","0.0006","14.9182","0.0003","30.8851","0.0005","90","","102.449","0.002","90","","15995","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Phenyl Biaryl Alcohol-2-Methyl (absorbed in crystalline sponge)","2',5-dimethyl-[1,1'-biphenyl]-2-ol (absorbed in crystalline sponge)","","- C49.98 H38.21 I6 N12 O Zn3 -","- C49.9816 H37.9808 I5.9998 N12 O0.9986 Zn2.9999 -","- C399.853 H303.846 I47.9984 N96 O7.9888 Zn23.9992 -","8","1","","Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.","A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges","IUCrJ","2023","10","4","497","508","10.1107/S2052252523005146","","x-ray","1.54184","CuKα","","0.0635","0.058","","","0.1873","0.1913","","","","","","1.047","","","","has coordinates,has disorder","284770","2023-07-04","02:00:19",""
"1569424","34.9529","0.0006","14.9266","0.0002","30.7318","0.0005","90","","101.777","0.002","90","","15696.1","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Phenyl Biaryl Alcohol-2-Phenyl (absorbed in crystalline sponge)","2''-methyl-[1,1':3',1''-terphenyl]-4'-ol (absorbed in crystalline sponge)","","- C48.24 H36.74 I6 N12 O0.53 Zn3 -","- C48.2403 H36.7392 I6.0008 N12 O0.5337 Zn3.0004 -","- C385.922 H293.914 I48.0064 N96 O4.2696 Zn24.0032 -","8","1","","Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.","A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges","IUCrJ","2023","10","4","497","508","10.1107/S2052252523005146","","x-ray","1.54178","CuKα","","0.0643","0.0587","","","0.1757","0.1807","","","","","","1.036","","","","has coordinates,has disorder","284770","2023-07-04","02:00:19",""
"1569436","9.7279","0.0018","12.109","0.002","16.102","0.003","87.019","0.007","89.242","0.007","70.646","0.006","1787.1","0.6","145","","145","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H51 N O9 -","- C38 H51 N O9 -","- C76 H102 N2 O18 -","2","1","","Xu, Xin; Yan, Bing","Bioinspired HOF-based luminescent skin sensor with triple mechanochromism responses for the recognition and collection of human biophysical signals.","Materials horizons","2023","10","6","2062","2074","10.1039/d3mh00096f","","","0.71073","MoKα","","0.1451","0.0843","","","0.1861","0.2186","","","","","","1.041","","","","has coordinates","284824","2023-07-05","08:00:03",""
"1569527","10.119","0.0004","13.7179","0.0005","15.1622","0.0006","80.631","0.002","77.512","0.002","74.361","0.002","1966.56","0.13","110","","110","","","","","","","","","4","P -1","-P 1","2","","","","- C52 H48 N2 O4 -","- C52 H48 N2 O4 -","- C104 H96 N4 O8 -","2","1","","Leng, Mingwan; Koripally, Nandu; Huang, Junjie; Vriza, Aikaterini; Lee, Kyeong Yeon; Ji, Xiaozhou; Li, Chenxuan; Hays, Megan; Tu, Qing; Dunbar, Kim; Xu, Jie; Ng, Tse Nga; Fang, Lei","Synthesis and exceptional operational durability of polyaniline-inspired conductive ladder polymers.","Materials horizons","2023","10","10","4354","4364","10.1039/d3mh00883e","","","1.54178","CuKα","","0.0595","0.0489","","","0.1339","0.1431","","","","","","1.035","","","","has coordinates,has disorder","286817","2023-10-06","00:54:57",""
"1569528","13.0055","0.0005","13.0942","0.0005","18.4103","0.0007","91.925","0.002","92.264","0.002","116.058","0.001","2809.78","0.19","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C55.8 H55.6 Br Cl7.6 N2 O4 -","- C55.8 H55.6 Br Cl7.6 N2 O4 -","- C111.6 H111.2 Br2 Cl15.2 N4 O8 -","2","1","","Leng, Mingwan; Koripally, Nandu; Huang, Junjie; Vriza, Aikaterini; Lee, Kyeong Yeon; Ji, Xiaozhou; Li, Chenxuan; Hays, Megan; Tu, Qing; Dunbar, Kim; Xu, Jie; Ng, Tse Nga; Fang, Lei","Synthesis and exceptional operational durability of polyaniline-inspired conductive ladder polymers.","Materials horizons","2023","10","10","4354","4364","10.1039/d3mh00883e","","","1.54178","CuKα","","0.0535","0.0523","","","0.1409","0.142","","","","","","1.03","","","","has coordinates,has disorder","286817","2023-10-06","00:54:58",""
"1569529","24.6382","0.0014","10.7607","0.0006","18.6232","0.0018","90","","124.745","0.001","90","","4057.1","0.5","110","","110","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C48 H70 N2 -","- C48 H70 N2 -","- C192 H280 N8 -","4","0.5","","Leng, Mingwan; Koripally, Nandu; Huang, Junjie; Vriza, Aikaterini; Lee, Kyeong Yeon; Ji, Xiaozhou; Li, Chenxuan; Hays, Megan; Tu, Qing; Dunbar, Kim; Xu, Jie; Ng, Tse Nga; Fang, Lei","Synthesis and exceptional operational durability of polyaniline-inspired conductive ladder polymers.","Materials horizons","2023","10","10","4354","4364","10.1039/d3mh00883e","","x-ray","0.71073","MoKα","","0.0445","0.0376","","","0.0926","0.0989","","","","","","1.031","","","","has coordinates","286817","2023-10-06","00:54:58",""
"1569622","6.8738","0.0005","14.2252","0.0009","16.4821","0.0011","65.736","0.002","85.602","0.003","81.263","0.002","1452.04","0.17","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C40 H23 N5 -","- C40 H23 N5 -","- C80 H46 N10 -","2","1","","Wang, Hui; Chen, Jia-Xiong; Zhou, Lu; Zhang, Xi; Yu, Jia; Wang, Kai; Zhang, Xiao-Hong","A dual-locked triarylamine donor enables high-performance deep-red/NIR thermally activated delayed fluorescence organic light-emitting diodes.","Materials horizons","2023","10","8","2997","3004","10.1039/d3mh00445g","","","0.71073","MoKα","","0.0564","0.0423","","","0.103","0.118","","","","","","1.031","","","","has coordinates","285459","2023-08-05","08:07:29",""
"1569658","7.5475","0.0001","10.6805","0.0001","11.8682","0.0002","94.694","0.001","107.997","0.002","109.497","0.001","839.27","0.02","273","","273","","","","","","","","","6","P -1","-P 1","2","","","","- C6 H22 Cl6 In N3 O -","- C6 H22 Cl6 In N3 O -","- C12 H44 Cl12 In2 N6 O2 -","2","1","","Li, Dong-Yang; Shang, Yan-Bing; Liu, Qi; Zhang, Hua-Wu; Zhang, Xin-Yue; Yue, Cheng-Yang; Lei, Xiao-Wu","0D hybrid indium halide as a highly efficient X-ray scintillation and ultra-sensitive fluorescent probe.","Materials horizons","2023","10","11","5004","5015","10.1039/d3mh00536d","","","1.54178","CuKα","","0.0251","0.0231","","","0.0625","0.0632","","","","","","1.048","","","","has coordinates","287427","2023-11-06","08:33:13",""
"1569659","7.8936","0.0003","11.084","0.0005","12.1633","0.0005","94.554","0.002","108.689","0.002","109.006","0.001","932.85","0.07","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C6 H22 Br6 In N3 O -","- C6 H22 Br6 In N3 O -","- C12 H44 Br12 In2 N6 O2 -","2","1","","Li, Dong-Yang; Shang, Yan-Bing; Liu, Qi; Zhang, Hua-Wu; Zhang, Xin-Yue; Yue, Cheng-Yang; Lei, Xiao-Wu","0D hybrid indium halide as a highly efficient X-ray scintillation and ultra-sensitive fluorescent probe.","Materials horizons","2023","10","11","5004","5015","10.1039/d3mh00536d","","","0.71073","MoKα","","0.053","0.0311","","","0.0566","0.0619","","","","","","1.07","","","","has coordinates","287427","2023-11-06","08:33:14",""
"1569763","7.884","0.0003","7.2121","0.0003","16.7362","0.0006","90","","94.4437","0.0003","90","","948.76","0.06","100","0.2","100","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-bis(2-hydroxyethyl)-6-methylpyrimidine-2,4(1H,3H)-dione","","- C9 H14 N2 O4 -","- C9 H14 N2 O4 -","- C36 H56 N8 O16 -","4","1","LT5061","Saifina, Alina F.; Kartashov, Sergey V.; Saifina, Liliya F.; Fayzullin, Robert R.","Applicability of transferable multipole pseudo-atoms for restoring inner-crystal electronic force density fields. Chemical bonding and binding features in the crystal and dimer of 1,3-bis(2-hydroxyethyl)-6-methyluracil","IUCrJ","2023","10","5","584","602","10.1107/S2052252523007108","","x-ray","0.71073","MoKα","","0.0182","0.0182","","","0.0286","0.0286","","","","","","1.005","","","","has coordinates","285967","2023-09-02","02:10:47",""
"1569862","14.4011","0.0005","8.239","0.0002","8.3208","0.0002","90","","94.932","0.003","90","","983.61","0.05","100","0.8","100","0.8","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H28 Br4 N2 Pb -","- C10 H28 Br4 N2 Pb -","- C20 H56 Br8 N4 Pb2 -","2","0.5","","You, Shihai; Yu, Panpan; Zhu, Tingting; Guan, Qianwen; Wu, Jianbo; Dai, Hongliang; Zhong, Haiqing; Zhu, Zeng-Kui; Luo, Junhua","Alternating chiral and achiral spacers for constructing two-dimensional chiral hybrid perovskites toward circular-polarization-sensitive photodetection.","Materials horizons","2023","10","11","5307","5312","10.1039/d3mh00745f","","x-ray","0.71073","MoKα","","0.0363","0.0296","","","0.0736","0.0761","","","","","","1.051","","","","has coordinates","287428","2023-11-06","08:33:40",""
"1569863","8.016","0.0003","8.4161","0.0004","34.5711","0.0019","90","","90","","90","","2332.29","0.19","300.47","0.1","300.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H28 Br4 N2 Pb -","- C14 H28 Br4 N2 Pb -","- C56 H112 Br16 N8 Pb4 -","4","1","","You, Shihai; Yu, Panpan; Zhu, Tingting; Guan, Qianwen; Wu, Jianbo; Dai, Hongliang; Zhong, Haiqing; Zhu, Zeng-Kui; Luo, Junhua","Alternating chiral and achiral spacers for constructing two-dimensional chiral hybrid perovskites toward circular-polarization-sensitive photodetection.","Materials horizons","2023","10","11","5307","5312","10.1039/d3mh00745f","","","0.71073","MoKα","","0.0606","0.0458","","","0.1048","0.1099","","","","","","1.051","","","","has coordinates","287428","2023-11-06","08:33:40",""
"1569864","8.0152","0.0003","8.4073","0.0003","34.575","0.0015","90","","90","","90","","2329.88","0.16","300.4","0.1","300.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H28 Br4 N2 Pb -","- C14 H28 Br4 N2 Pb -","- C56 H112 Br16 N8 Pb4 -","4","1","","You, Shihai; Yu, Panpan; Zhu, Tingting; Guan, Qianwen; Wu, Jianbo; Dai, Hongliang; Zhong, Haiqing; Zhu, Zeng-Kui; Luo, Junhua","Alternating chiral and achiral spacers for constructing two-dimensional chiral hybrid perovskites toward circular-polarization-sensitive photodetection.","Materials horizons","2023","10","11","5307","5312","10.1039/d3mh00745f","","","0.71073","MoKα","","0.0597","0.046","","","0.111","0.1172","","","","","","1.107","","","","has coordinates","287428","2023-11-06","08:33:40",""
"1569894","9.4322","0.0004","11.3669","0.0004","16.0822","0.0007","90","","106","0.004","90","","1657.46","0.12","113.15","","113.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O10 Zn -","- C14 H16 N2 O10 Zn -","- C56 H64 N8 O40 Zn4 -","4","1","ED5029","Guan, Lei; Wang, Ying; Jin, Hongzhe; Yin, Pengpeng","A new route for the syntheses of coordination polymers using magnetic influence: syntheses, crystal structures and fluorescence properties.","IUCrJ","2023","10","6","","","10.1107/S2052252523007650","","x-ray","0.71073","MoKα","","0.0704","0.0519","","","0.1173","0.126","","","","","","1.104","","","","has coordinates","286397","2023-09-19","01:47:59",""
"1569895","10.2539","0.0005","10.2539","0.0005","30.4058","0.0015","90","","90","","90","","3196.9","0.3","193","2","193","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C14 H16 Co N2 O10 -","- C14 H16 Co N2 O10 -","- C112 H128 Co8 N16 O80 -","8","1","","Guan, Lei; Wang, Ying; Jin, Hongzhe; Yin, Pengpeng","A new route for the syntheses of coordination polymers using magnetic influence: syntheses, crystal structures and fluorescence properties.","IUCrJ","2023","10","6","","","10.1107/S2052252523007650","","","1.34139","GaKα","","0.0306","0.0297","","","0.0948","0.096","","","","","","0.858","","","","has coordinates","286397","2023-09-19","01:48:00",""
"1569896","8.5332","0.0002","9.6081","0.0002","14.1363","0.0003","95.32","0.001","97.103","0.001","104.473","0.001","1104.36","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 N4 O7 Zn -","- C24 H18 N4 O7 Zn -","- C48 H36 N8 O14 Zn2 -","2","1","","Guan, Lei; Wang, Ying; Jin, Hongzhe; Yin, Pengpeng","A new route for the syntheses of coordination polymers using magnetic influence: syntheses, crystal structures and fluorescence properties.","IUCrJ","2023","10","6","","","10.1107/S2052252523007650","","","0.71073","MoKα","","0.0349","0.0311","","","0.1086","0.1145","","","","","","0.923","","","","has coordinates","286397","2023-09-19","01:48:00",""
"1569897","7.7901","0.0004","10.0895","0.0007","15.5233","0.0008","94.751","0.002","101.411","0.002","107.809","0.002","1125.17","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Co N4 O8 -","- C24 H20 Co N4 O8 -","- C48 H40 Co2 N8 O16 -","2","1","","Guan, Lei; Wang, Ying; Jin, Hongzhe; Yin, Pengpeng","A new route for the syntheses of coordination polymers using magnetic influence: syntheses, crystal structures and fluorescence properties.","IUCrJ","2023","10","6","","","10.1107/S2052252523007650","","","0.71073","MoKα","","0.0413","0.0347","","","0.1121","0.1209","","","","","","0.866","","","","has coordinates","286397","2023-09-19","01:48:00",""
"1569898","7.2074","0.0004","16.8579","0.0007","18.3599","0.0007","90","","100.371","0.002","90","","2194.31","0.17","193","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Cu N4 O7 -","- C24 H18 Cu N4 O7 -","- C96 H72 Cu4 N16 O28 -","4","1","","Guan, Lei; Wang, Ying; Jin, Hongzhe; Yin, Pengpeng","A new route for the syntheses of coordination polymers using magnetic influence: syntheses, crystal structures and fluorescence properties.","IUCrJ","2023","10","6","","","10.1107/S2052252523007650","","","0.71073","MoKα","","0.0692","0.0472","","","0.0956","0.1042","","","","","","1.065","","","","has coordinates","286397","2023-09-19","01:48:00",""
"1569899","12.02","0.002","11.953","0.002","14.174","0.003","90","","103.163","0.007","90","","1982.9","0.6","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 N4 O6 -","- C24 H18 N4 O6 -","- C96 H72 N16 O24 -","4","0.5","","Guan, Lei; Wang, Ying; Jin, Hongzhe; Yin, Pengpeng","A new route for the syntheses of coordination polymers using magnetic influence: syntheses, crystal structures and fluorescence properties.","IUCrJ","2023","10","6","","","10.1107/S2052252523007650","","x-ray","0.71073","MoKα","","0.0507","0.046","","","0.1249","0.1294","","","","","","1.074","","","","has coordinates","286397","2023-09-19","01:48:00",""
"1569900","14.1895","0.001","14.8309","0.0009","22.402","0.0015","90","","92.676","0.006","90","","4709.2","0.5","113.15","","113.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C50 H48 N8 O14 Zn -","- C50 H48 N8 O14 Zn -","- C200 H192 N32 O56 Zn4 -","4","1","","Guan, Lei; Wang, Ying; Jin, Hongzhe; Yin, Pengpeng","A new route for the syntheses of coordination polymers using magnetic influence: syntheses, crystal structures and fluorescence properties.","IUCrJ","2023","10","6","","","10.1107/S2052252523007650","","x-ray","0.71073","MoKα","","0.1433","0.0647","","","0.1039","0.1312","","","","","","1.002","","","","has coordinates","286397","2023-09-19","01:48:01",""
"1569988","9.4895","0.0004","11.6539","0.0005","13.4967","0.0006","114.125","0.001","100.242","0.001","91.853","0.001","1331.33","0.1","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H26 N2 S2 -","- C34 H26 N2 S2 -","- C68 H52 N4 S4 -","2","1","YC5044","Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B.","Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids.","IUCrJ","2023","10","6","","","10.1107/S2052252523008060","","","0.71073","MoKα","","0.0603","0.0439","","","0.0963","0.1036","","","","","","1.043","","","","has coordinates","286553","2023-09-27","02:10:25",""
"1569989","9.8916","0.0004","25.9653","0.001","10.937","0.0006","90","","109.525","0.001","90","","2647.5","0.2","90","","90","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C34 H26 N2 S2 -","- C34 H26 N2 S2 -","- C136 H104 N8 S8 -","4","0.5","","Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B.","Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids.","IUCrJ","2023","10","6","","","10.1107/S2052252523008060","","","0.71073","MoKα","","0.0372","0.0337","","","0.0908","0.0944","","","","","","1.056","","","","has coordinates,has disorder","286553","2023-09-27","02:10:26",""
"1569990","17.1862","0.0006","12.2494","0.0004","18.3174","0.0006","90","","113.273","0.001","90","","3542.4","0.2","90","","90","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C84 H64 N4 O12 S4 -","- C84 H64 N4 O12 S4 -","- C168 H128 N8 O24 S8 -","2","0.5","","Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B.","Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids.","IUCrJ","2023","10","6","","","10.1107/S2052252523008060","","","0.71073","MoKα","","0.0622","0.0453","","","0.1111","0.1225","","","","","","1.022","","","","has coordinates,has disorder","286553","2023-09-27","02:10:26",""
"1569991","10.602","0.002","16.714","0.004","24.181","0.005","71.454","0.006","88.132","0.006","78.607","0.006","3980.2","1.5","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C185 H145 N8 O28 S8 -","- C185 H145 N8 O28 S8 -","- C185 H145 N8 O28 S8 -","1","0.5","","Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B.","Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids.","IUCrJ","2023","10","6","","","10.1107/S2052252523008060","","","0.71073","MoKα","","0.1188","0.0879","","","0.2205","0.2382","","","","","","1.095","","","","has coordinates,has disorder","286553","2023-09-27","02:10:26",""
"1569992","9.6987","0.0002","20.7245","0.0005","22.9341","0.0006","90","","101.68","0.001","90","","4514.32","0.19","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H35 N2 O12 S2 -","- C49 H35 N2 O12 S2 -","- C196 H140 N8 O48 S8 -","4","1","","Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B.","Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids.","IUCrJ","2023","10","6","","","10.1107/S2052252523008060","","","0.71073","MoKα","","0.0923","0.0519","","","0.1034","0.118","","","","","","1.022","","","","has coordinates,has disorder","286553","2023-09-27","02:10:26",""
"1569993","30.6739","0.0012","9.6686","0.0004","24.285","0.0009","90","","90","","90","","7202.3","0.5","90","","90","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H32 N2 O4 S2 -","- C42 H32 N2 O4 S2 -","- C336 H256 N16 O32 S16 -","8","2","","Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B.","Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids.","IUCrJ","2023","10","6","","","10.1107/S2052252523008060","","","0.71073","MoKα","","0.0433","0.0358","","","0.0841","0.088","","","","","","1.032","","","","has coordinates","286553","2023-09-27","02:10:27",""
"1569994","9.8404","0.0004","21.4458","0.0008","67.537","0.003","90","","90","","90","","14252.7","1","90","","90","","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C68 H56 Co N4 O2 S4 -","- C68 H56 Co N4 O2 S4 -","- C544 H448 Co8 N32 O16 S32 -","8","0.25","","Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B.","Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids.","IUCrJ","2023","10","6","","","10.1107/S2052252523008060","","","0.71073","MoKα","","0.0663","0.048","","","0.1055","0.1143","","","","","","1.034","","","","has coordinates","286553","2023-09-27","02:10:27",""
"1569995","9.8621","0.0006","21.6164","0.0013","67.069","0.004","90","","90","","90","","14298","1.5","100","","100","","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C68 H56 N4 Ni O2 S4 -","- C68 H56 N4 Ni O2 S4 -","- C544 H448 N32 Ni8 O16 S32 -","8","0.25","","Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B.","Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids.","IUCrJ","2023","10","6","","","10.1107/S2052252523008060","","","0.41328","synchrotron","","0.0435","0.0378","","","0.0977","0.1011","","","","","","1.086","","","","has coordinates","286553","2023-09-27","02:10:27",""
"1569996","9.8296","0.0005","21.4844","0.0012","67.4","0.004","90","","90","","90","","14233.7","1.4","90","","90","","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C68 H56 N6 O8 S4 Zn -","- C68 H56 N6 O8 S4 Zn -","- C544 H448 N48 O64 S32 Zn8 -","8","0.25","","Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B.","Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids.","IUCrJ","2023","10","6","","","10.1107/S2052252523008060","","","0.71073","MoKα","","0.0965","0.0863","","","0.2209","0.2268","","","","","","1.21","","","","has coordinates,has disorder","286553","2023-09-27","02:10:27",""
"1569997","9.8116","0.0012","21.432","0.003","69.162","0.008","90","","90","","90","","14544","3","90","","90","","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C68 H56 Cd N6 O8 S4 -","- C68 H56 Cd N6 O8 S4 -","- C544 H448 Cd8 N48 O64 S32 -","8","0.25","YC5044","Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B.","Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids.","IUCrJ","2023","10","6","","","10.1107/S2052252523008060","","","0.71073","MoKα","","0.0937","0.0927","","","0.2321","0.2326","","","","","","1.268","","","","has coordinates,has disorder","286553","2023-09-27","02:10:27",""
"1569998","9.496","0.003","10.032","0.003","17.38","0.005","86.772","0.008","84.163","0.009","83.443","0.009","1634.7","0.9","90","","90","","","","","","","","","7","P -1","-P 1","2","","","","- C35 H28 Cl2 Cu I N2 S2 -","- C35 H28 Cl2 Cu I N2 S2 -","- C70 H56 Cl4 Cu2 I2 N4 S4 -","2","1","YC5044","Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B.","Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids.","IUCrJ","2023","10","6","","","10.1107/S2052252523008060","","","0.71073","MoKα","","0.0844","0.0553","","","0.1279","0.1388","","","","","","1.046","","","","has coordinates,has disorder","286553","2023-09-27","02:10:27",""
"1569999","9.5108","0.0003","11.4444","0.0003","16.0164","0.0004","105.012","0.001","98.452","0.001","99.178","0.001","1629.52","0.08","90","","90","","","","","","","","","7","P -1","-P 1","2","","","","- C74 H66 Br2 Cu N6 O2 S4 -","- C74 H66 Br2 Cu N6 O2 S4 -","- C74 H66 Br2 Cu N6 O2 S4 -","1","0.5","YC5044","Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B.","Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids.","IUCrJ","2023","10","6","","","10.1107/S2052252523008060","","","0.71073","MoKα","","0.058","0.044","","","0.1104","0.1167","","","","","","1.051","","","","has coordinates,has disorder","286553","2023-09-27","02:10:27",""
"1570000","10.1753","0.0013","10.952","0.0013","18.411","0.002","89.839","0.004","82.711","0.004","69.145","0.004","1899.8","0.4","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H33 N3 O8 S2 Zn -","- C42 H33 N3 O8 S2 Zn -","- C84 H66 N6 O16 S4 Zn2 -","2","1","YC5044","Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B.","Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids.","IUCrJ","2023","10","6","","","10.1107/S2052252523008060","","","0.71073","MoKα","","0.0508","0.0428","","","0.1027","0.106","","","","","","1.053","","","","has coordinates","286553","2023-09-27","02:10:27",""
"1570001","14.2712","0.0009","14.7916","0.0009","19.2839","0.0012","98.124","0.002","104.4","0.002","117.968","0.002","3320.3","0.4","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C82 H60 N4 O5 S4 Zn -","- C82 H60 N4 O5 S4 Zn -","- C164 H120 N8 O10 S8 Zn2 -","2","1","YC5044","Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B.","Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids.","IUCrJ","2023","10","6","","","10.1107/S2052252523008060","","","0.71073","MoKα","","0.0744","0.0446","","","0.0888","0.0991","","","","","","1.014","","","","has coordinates","286553","2023-09-27","02:10:27",""
"1570002","11.873","0.002","17.012","0.003","22.921","0.004","78.006","0.004","76.999","0.004","83.799","0.004","4403.4","1.3","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C90 H93 N7 O17 S4 Zn2 -","- C90 H93 N7 O17 S4 Zn2 -","- C180 H186 N14 O34 S8 Zn4 -","2","1","YC5044","Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B.","Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids.","IUCrJ","2023","10","6","","","10.1107/S2052252523008060","","","0.71073","MoKα","","0.1171","0.0765","","","0.1916","0.2142","","","","","","1.043","","","","has coordinates,has disorder","286553","2023-09-27","02:10:28",""
"1570003","10.1309","0.0004","11.6998","0.0004","19.7642","0.0007","76.491","0.001","78.625","0.001","67.929","0.001","2095.27","0.13","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H39 N3 O8 S2 Zn -","- C46 H39 N3 O8 S2 Zn -","- C92 H78 N6 O16 S4 Zn2 -","2","1","YC5044","Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B.","Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids.","IUCrJ","2023","10","6","","","10.1107/S2052252523008060","","","0.71073","MoKα","","0.0874","0.0562","","","0.1053","0.1185","","","","","","1.027","","","","has coordinates","286553","2023-09-27","02:10:28",""
"1570004","10.262","0.0011","11.2119","0.0012","18.905","0.002","87.543","0.003","82.666","0.003","66.797","0.003","1982.8","0.4","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H37 N3 O7 S2 Zn -","- C46 H37 N3 O7 S2 Zn -","- C92 H74 N6 O14 S4 Zn2 -","2","1","YC5044","Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B.","Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids.","IUCrJ","2023","10","6","","","10.1107/S2052252523008060","","","0.71073","MoKα","","0.1263","0.0693","","","0.1156","0.135","","","","","","1.051","","","","has coordinates","286553","2023-09-27","02:10:28",""
"1570005","15.4656","0.0004","15.4656","0.0004","45.0635","0.0014","90","","90","","120","","9334.5","0.4","90","","90","","","","","","","","","6","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C48 H38 N2 O6 S2 Zn -","- C48 H38 N2 O6 S2 Zn -","- C288 H228 N12 O36 S12 Zn6 -","6","0.5","YC5044","Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B.","Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids.","IUCrJ","2023","10","6","","","10.1107/S2052252523008060","","","0.71073","MoKα","","0.0704","0.0522","","","0.1103","0.1172","","","","","","1.054","","","","has coordinates,has disorder","286553","2023-09-27","02:10:28",""
"1570006","20.2935","0.0007","16.6798","0.0006","25.1409","0.0012","90","","109.835","0.001","90","","8005.1","0.6","273.15","","273.15","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C76 H56 N4 O4 S4 Zn2 -","- C76 H56 N4 O4 S4 Zn2 -","- C304 H224 N16 O16 S16 Zn8 -","4","0.5","YC5044","Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B.","Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids.","IUCrJ","2023","10","6","","","10.1107/S2052252523008060","","","0.71073","MoKα","","0.0435","0.0337","","","0.0841","0.0893","","","","","","1.06","","","","has coordinates","286553","2023-09-27","02:10:28",""
"1570008","15.4453","0.0012","8.5038","0.0005","12.4151","0.0011","90","","113.671","0.003","90","","1493.5","0.2","193","","193","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H2 N10 O12 -","- C7 H2 N10 O12 -","- C28 H8 N40 O48 -","4","1","","Dong, Yaqun; Li, Miao; Liu, Jing; Liu, Yuji; Huang, Wei; Shreeve, Jean'ne M.; Tang, Yongxing","Pushing the limits of the heat of detonation <i>via</i> the construction of polynitro bipyrazole.","Materials horizons","2023","10","12","5729","5733","10.1039/d3mh01381b","","","0.71073","MoKα","","0.0684","0.0471","","","0.1076","0.1284","","","","","","1.067","","","","has coordinates","288913","2024-01-06","10:01:55",""
"1570009","5.0954","0.0002","8.4208","0.0004","11.6907","0.0005","79.354","0.003","78.91","0.003","72.855","0.003","465.97","0.04","193","","193","","","","","","","","","4","P -1","-P 1","2","","123","","- C8 H4 N6 O4 -","- C8 H4 N6 O4 -","- C16 H8 N12 O8 -","2","1","","Dong, Yaqun; Li, Miao; Liu, Jing; Liu, Yuji; Huang, Wei; Shreeve, Jean'ne M.; Tang, Yongxing","Pushing the limits of the heat of detonation <i>via</i> the construction of polynitro bipyrazole.","Materials horizons","2023","10","12","5729","5733","10.1039/d3mh01381b","","","1.54178","CuKα","","0.0664","0.0598","","","0.1939","0.1983","","","","","","1.081","","","","has coordinates","288913","2024-01-06","10:02:07",""
"1570010","9.144","","12.629","","12.031","","90","","99.17","","90","","1371.58","","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H3 N9 O10 -","- C7 H3 N9 O10 -","- C28 H12 N36 O40 -","4","1","","Dong, Yaqun; Li, Miao; Liu, Jing; Liu, Yuji; Huang, Wei; Shreeve, Jean'ne M.; Tang, Yongxing","Pushing the limits of the heat of detonation <i>via</i> the construction of polynitro bipyrazole.","Materials horizons","2023","10","12","5729","5733","10.1039/d3mh01381b","","","1.54178","CuKα","","0.1027","0.0773","","","0.211","0.229","","","","","","1.123","","","","has coordinates","288913","2024-01-06","10:02:10",""
"1570096","12.6847","0.0003","5.8648","0.0002","23.2236","0.0005","90","","93.284","0.002","90","","1724.84","0.08","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Hexafluorobenzene:pyrrole","","- C34 H20 F18 N4 -","- C34 H20 F18 N4 -","- C68 H40 F36 N8 -","2","0.5","LT5060","Bear, Joseph Charles; Terzoudis, Nikitas; Cockcroft, Jeremy Karl","Single-crystal quality data from polycrystalline samples: finding the needle in the haystack.","IUCrJ","2023","10","6","","","10.1107/S2052252523008163","","x-ray","1.54184","CuKα","","0.0701","0.0605","","","0.1594","0.1669","","","","","","1.051","","","","has coordinates,has disorder","286893","2023-10-11","02:21:03",""
"1570097","5.8577","0.0001","10.4534","0.0002","17.3482","0.0003","90","","90","","90","","1062.28","0.03","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","pyridine:hexafluorobenzene","","- C11 H5 F6 N -","- C11 H5 F6 N -","- C44 H20 F24 N4 -","4","1","","Bear, Joseph Charles; Terzoudis, Nikitas; Cockcroft, Jeremy Karl","Single-crystal quality data from polycrystalline samples: finding the needle in the haystack.","IUCrJ","2023","10","6","","","10.1107/S2052252523008163","","x-ray","1.54184","CuKα","","0.0429","0.0346","","","0.0929","0.0983","","","","","","1.065","","","","has coordinates,has disorder","286893","2023-10-11","02:21:04",""
"1570098","6.3499","0.0004","7.2178","0.0005","7.3804","0.0005","108.087","0.007","93.949","0.006","98.796","0.006","315.32","0.04","160","","160","","","","","","","","","3","P -1","-P 1","2","","p-xylene:pentafluorobenzene","","- C14 H11 F5 -","- C14 H11.002 F4.998 -","- C14 H11.002 F4.998 -","1","0.5","","Bear, Joseph Charles; Terzoudis, Nikitas; Cockcroft, Jeremy Karl","Single-crystal quality data from polycrystalline samples: finding the needle in the haystack.","IUCrJ","2023","10","6","","","10.1107/S2052252523008163","","x-ray","1.54184","CuKα","","0.0692","0.0617","","","0.1742","0.1894","","","","","","1.156","","","","has coordinates,has disorder","286893","2023-10-11","02:21:04",""
"1570099","10.2296","0.0005","8.7819","0.0005","14.6776","0.0007","106.811","0.005","80.111","0.004","97.168","0.004","1239.51","0.12","120","","120","","","","","","","","","3","I -1","-I 1","2","","p-xylene:pentafluorobenzene","","- C14 H11 F5 -","- C14 H11.001 F4.999 -","- C56 H44.004 F19.996 -","4","","","Bear, Joseph Charles; Terzoudis, Nikitas; Cockcroft, Jeremy Karl","Single-crystal quality data from polycrystalline samples: finding the needle in the haystack.","IUCrJ","2023","10","6","","","10.1107/S2052252523008163","","x-ray","1.54184","CuKα","","0.077","0.0685","","","0.201","0.2184","","","","","","1.092","","","","has coordinates,has disorder","286893","2023-10-11","02:21:04",""
"1570230","18.302","0.002","18.302","0.002","36.441","0.003","90","","90","","90","","12206","2","100","2","100","2","","","","","","","","1","P 21 21 21","P 2ac 2ab","19","","","","- P4 -","- P4 -","- P464 -","116","29","LT5062","Herbst-Irmer, Regine; Wang, Xiaobai; Haberstock, Laura; Köhne, Ingo; Oswald, Rainer; Behler, Jörg; Stalke, Dietmar","A new polymorph of white phosphorus at ambient conditions","IUCrJ","2023","10","6","766","771","10.1107/S2052252523009247","","","0.71073","MoKα","","0.0393","0.0363","","","0.0818","0.0836","","","","","","1.009","","","","has coordinates","287195","2023-11-01","03:25:38",""
"1570231","18.298","0.002","18.298","0.002","36.408","0.003","90","","90","","90","","12190","2","100","2","100","2","","","","","","","","1","P 21 21 21","P 2ac 2ab","19","","","","- P4 -","- P4 -","- P464 -","116","29","LT5062","Herbst-Irmer, Regine; Wang, Xiaobai; Haberstock, Laura; Köhne, Ingo; Oswald, Rainer; Behler, Jörg; Stalke, Dietmar","A new polymorph of white phosphorus at ambient conditions","IUCrJ","2023","10","6","766","771","10.1107/S2052252523009247","","","0.71073","MoKα","","0.036","0.0338","","","0.0758","0.0768","","","","","","1.127","","","","has coordinates","287195","2023-11-01","03:25:39",""
"1570243","6.4862","0.0004","7.9267","0.0007","8.8787","0.0007","80.588","0.007","72.781","0.006","82.059","0.007","428.21","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H9 S2 -","- C10 H9 S2 -","- C20 H18 S4 -","2","1","","Bulgarevich, Kirill; Takimiya, Kazuo","Crystal-structure simulation of molecular semiconductors: brickwork-related crystal structures of methylthiolated <i>peri</i>-condensed polycyclic aromatic hydrocarbons.","Materials horizons","2023","10","12","5492","5499","10.1039/d3mh01055d","","x-ray","1.54184","CuKα","","0.0862","0.0772","","","0.2116","0.2155","","","","","","1.06","","","","has coordinates","288914","2024-01-06","10:02:26",""
"1570244","6.5057","0.0005","7.9795","0.0008","8.8895","0.0005","80.578","0.007","72.733","0.006","81.783","0.007","432.55","0.06","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H9 S2 -","- C10 H9 S2 -","- C20 H18 S4 -","2","1","","Bulgarevich, Kirill; Takimiya, Kazuo","Crystal-structure simulation of molecular semiconductors: brickwork-related crystal structures of methylthiolated <i>peri</i>-condensed polycyclic aromatic hydrocarbons.","Materials horizons","2023","10","12","5492","5499","10.1039/d3mh01055d","","x-ray","1.54184","CuKα","","0.0991","0.0875","","","0.2609","0.2665","","","","","","1.161","","","","has coordinates","288914","2024-01-06","10:02:35",""
"1570245","5.325","0.0002","13.4178","0.0006","16.3151","0.0004","108.191","0.003","91.312","0.003","99.886","0.004","1087.36","0.07","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H22 S4 -","- C30 H22 S4 -","- C60 H44 S8 -","2","1","","Bulgarevich, Kirill; Takimiya, Kazuo","Crystal-structure simulation of molecular semiconductors: brickwork-related crystal structures of methylthiolated <i>peri</i>-condensed polycyclic aromatic hydrocarbons.","Materials horizons","2023","10","12","5492","5499","10.1039/d3mh01055d","","x-ray","1.54184","CuKα","","0.1102","0.0774","","","0.197","0.2216","","","","","","1.015","","","","has coordinates","288914","2024-01-06","10:02:38",""
"1570246","6.527","0.0005","8.0689","0.001","8.9496","0.0006","79.553","0.008","72.238","0.006","81.345","0.008","439.14","0.07","300","2","300","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H9 S2 -","- C10 H9 S2 -","- C20 H18 S4 -","2","1","","Bulgarevich, Kirill; Takimiya, Kazuo","Crystal-structure simulation of molecular semiconductors: brickwork-related crystal structures of methylthiolated <i>peri</i>-condensed polycyclic aromatic hydrocarbons.","Materials horizons","2023","10","12","5492","5499","10.1039/d3mh01055d","","x-ray","1.54184","CuKα","","0.0974","0.0772","","","0.2002","0.211","","","","","","1.143","","","","has coordinates","288914","2024-01-06","10:02:49",""
"1570516","9.3556","0.0009","6.8168","0.0007","9.3773","0.0008","90","","93.497","0.002","90","","596.93","0.1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 Br2 Cu N8 O6 -","- C4 H4 Br2 Cu N8 O6 -","- C8 H8 Br4 Cu2 N16 O12 -","2","0.5","","Lei, Guorong; Cheng, Wenchuan; Lu, Zujia; Zhang, Tonglai; Li, Zhimin; Zhang, Jianguo","A three-dimensional energetic coordination compound (BLG-1) with excellent initiating ability for lead-free primary explosives.","Materials horizons","2023","10","12","5775","5781","10.1039/d3mh01410j","","","0.71073","MoKα","","0.0428","0.0402","","","0.0969","0.0984","","","","","","1.03","","","","has coordinates","288071","2023-12-06","13:04:20",""
"1572658","15.5504","0.0004","20.3269","0.0006","24.9693","0.0007","90","","96.155","0.002","90","","7847.1","0.4","200","2","200","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","(μ-pyrazine radical anion)-tetrakis(pentamethylcyclopentadienyl) -bis(tetrahydrofuran)-dysprosium(III) tetraphenylborate unknown solvate","","- C76 H100 B Dy2 N2 O2 -","- C76 H100 B Dy2 N2 O2 -","- C304 H400 B4 Dy8 N8 O8 -","4","0.5","","Bajaj, Neha; Mavragani, Niki; Kitos, Alexandros A.; Chartrand, Daniel; Maris, Thierry; Mansikkamäki, Akseli; Murugesu, Muralee","Hard single-molecule magnet behavior and strong magnetic coupling in pyrazinyl radical-bridged lanthanide metallocenes","CHEM","2024","10","","2484","2499","10.1016/j.chempr.2024.04.006","","","0.71073","MoKα","","0.0471","0.0404","","","0.0883","0.0923","","","","","","1.156","","","","has coordinates","294850","2024-09-21","20:13:12",""
"1572659","13.3406","0.0008","16.5532","0.0009","17.2872","0.0009","62.71","0.002","89.744","0.003","78.631","0.003","3309.8","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","tetrakis(μ-pyrazine radical anion)-octakis(pentamethylcyclopentadienyl) -tetra-dysprosium(III) tetrahydrofuran solvate","","- C136 H216 Dy4 N8 O10 -","- C136 H216 Dy4 N8 O10 -","- C136 H216 Dy4 N8 O10 -","1","0.5","","Bajaj, Neha; Mavragani, Niki; Kitos, Alexandros A.; Chartrand, Daniel; Maris, Thierry; Mansikkamäki, Akseli; Murugesu, Muralee","Hard single-molecule magnet behavior and strong magnetic coupling in pyrazinyl radical-bridged lanthanide metallocenes","CHEM","2024","10","","2484","2499","10.1016/j.chempr.2024.04.006","","x-ray","1.34139","GaKα","","0.1298","0.0682","","","0.1697","0.2037","","","","","","1.041","","","","has coordinates,has disorder","294851","2024-09-21","20:13:29",""
"1572660","15.6446","0.001","20.4132","0.0013","24.9024","0.0015","90","","96.161","0.003","90","","7906.8","0.9","200","2","200","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","(μ-pyrazine radical anion)-tetrakis(pentamethylcyclopentadienyl) -bis(tetrahydrofuran)-gadoliniumium(III) tetraphenylborate unknown solvate","","- C76 H100 B Gd2 N2 O2 -","- C76 H100 B Gd2 N2 O2 -","- C304 H400 B4 Gd8 N8 O8 -","4","0.5","","Bajaj, Neha; Mavragani, Niki; Kitos, Alexandros A.; Chartrand, Daniel; Maris, Thierry; Mansikkamäki, Akseli; Murugesu, Muralee","Hard single-molecule magnet behavior and strong magnetic coupling in pyrazinyl radical-bridged lanthanide metallocenes","CHEM","2024","10","","2484","2499","10.1016/j.chempr.2024.04.006","","","0.71073","MoKα","","0.0644","0.0463","","","0.1019","0.1096","","","","","","1.129","","","","has coordinates","294852","2024-09-21","20:13:41",""
"1572661","13.2525","0.0006","16.5811","0.0007","17.3758","0.0007","62.586","0.002","89.513","0.002","78.844","0.002","3311.1","0.3","90","","90","","","","","","","","","5","P -1","-P 1","2","","tetrakis(μ-pyrazine radical anion)-octakis(pentamethylcyclopentadienyl) -tetra-gadolinium(III) tetrahydrofuran solvate","","- C136 H216 Gd4 N8 O10 -","- C136 H216 Gd4 N8 O10 -","- C136 H216 Gd4 N8 O10 -","1","0.5","","Bajaj, Neha; Mavragani, Niki; Kitos, Alexandros A.; Chartrand, Daniel; Maris, Thierry; Mansikkamäki, Akseli; Murugesu, Muralee","Hard single-molecule magnet behavior and strong magnetic coupling in pyrazinyl radical-bridged lanthanide metallocenes","CHEM","2024","10","","2484","2499","10.1016/j.chempr.2024.04.006","","x-ray","1.34139","GaKα","","0.1455","0.0634","","","0.1418","0.1696","","","","","","1.01","","","","has coordinates,has disorder","294853","2024-09-21","20:13:51",""
"1573429","11.6894","0.0002","15.4536","0.0004","16.1745","0.0005","79.469","0.002","87.062","0.002","81.301","0.002","2838.72","0.13","293","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H41 Ce Cu5 N17 O24 -","- C30 H41 Ce Cu5 N17 O24 -","- C60 H82 Ce2 Cu10 N34 O48 -","2","1","","Tempesta, Jésio D.; Paiva, Fábio Faria; Ferreira, Leonildo A.; da Silva, Rafaela M. R.; Botelho, Luckerman D. G.; Rosa, Iara M. L.; Candido, Caio Cesar; Gomes, Angelo Marcio; Nunes, Wallace C.; Guedes, Guilherme P.; Marinho, Maria Vanda","Metallacrown of CeIIICuII5: Synthesis, Structural Characterization and Insights for Nanoparticles","Magnetochemistry","2024","10","12","96","","10.3390/magnetochemistry10120096","","x-ray","0.71073","MoKα","","0.0719","0.0447","","","0.09","0.1048","","","","","","1.007","","","","has coordinates,has disorder","296742","2024-12-07","08:12:03",""
"2300516","9.11","","9.11","","9.11","","90","","90","","90","","756.058","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","Th4 D15","","- D15 Th4 -","- D15 Th4 -","- D60 Th16 -","4","0.0833333","","Mueller, M.H.; Caton, R.; Beyerlein, R.A.; Brun, T.O.; Jorgensen, J.D.; Satterthwaite, C.B.","Structure of Th4 D15 from measurement at the argonne ZING-P pulsed neutron source","Journal of Applied Crystallography","1977","10","","79","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","142809","2020-10-21","18:00:00",""
"2300529","8.847","","5.452","","4.824","","90","","90","","90","","232.68","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Si2 N2 O","","- N2 O Si2 -","- N2 O Si2 -","- N8 O4 Si8 -","4","0.5","","Srinivasa, S.R.; Jorgensen, J.D.; Cartz, L.; Worlton, T.G.; Beyerlein, R.A.; Billy, M.","High-pressure neutron diffraction study of Si2 N2 O","Journal of Applied Crystallography","1977","10","","167","171","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2300587","9.3653","","9.3653","","6.8816","","90","","90","","120","","522.713","","","","","","","","","","","","","2","P 63/m","-P 6c","176","","Ca9.2 (P O4)5.55 F2","","- Ca9.2 O22.2 -","- Ca9.2 O22.2 -","- Ca9.2 O22.2 -","1","0.0833333","","Young, R.A.; Mackie, P.E.; von Dreele, R.B.","Application of the Pattern-Fitting Structure-Refinement Method to X-ray Powder Diffractometer Patterns","Journal of Applied Crystallography","1977","10","","262","269","","","","","","","","","","","","","","","","","","","","","","has coordinates","174336","2020-10-21","18:00:00",""
"2310023","4.08","","11.48","","4.65","","90","","90","","90","","217.799","","","","","","","","","","","","","2","C m c 21","C 2c -2","36","","","","- Ag Ca -","- Ag Ca -","- Ag4 Ca4 -","4","0.5","","Dunsmore, R.S.; Calvert, L.D.; Tse, R.S.; Kuhi, L.V.","The crystal structure of Ag Ca and Ag2 Ca","Acta Crystallographica (1,1948-23,1967)","1957","10","","775","775","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310062","6.07","","6.13","","6.68","","90","","90","","90","","248.557","","","","","","","","","","","","","3","C m m a","-C 2a 2","67","","","","- Ag Cl O2 -","- Ag Cl O2 -","- Ag4 Cl4 O8 -","4","0.25","","Curti, R.; Riganti, V.; Locchi, S.","The Crystal Structure of Ag Cl O2","Acta Crystallographica (1,1948-23,1967)","1957","10","","687","691","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310070","7.26","","4.68","","8.14","","90","","90","","90","","276.571","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Ag2 Ca -","- Ag2 Ca -","- Ag8 Ca4 -","4","0.25","","Dunsmore, R.S.; Kuhi, L.V.; Calvert, L.D.; Tse, R.S.","The crystal structure of Ag Ca and Ag2 Ca","Acta Crystallographica (1,1948-23,1967)","1957","10","","775","775","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310104","8.78","","5.41","","7.16","","90","","90","","90","","340.099","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba B O F3","","- B Ba F3 O -","- B Ba F3 O -","- B4 Ba4 F12 O4 -","4","0.5","","Chackraburtty, D.M.","The Structure of Ba B O F3","Acta Crystallographica (1,1948-23,1967)","1957","10","","199","200","10.1107/S0365110X57000638","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310210","3.427","","3.427","","9.834","","90","","90","","90","","115.494","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Mo U2 -","- Mo U2 -","- Mo2 U4 -","2","0.0625","","Halteman, E.K.","The crystal structure of U2 Mo","Acta Crystallographica (1,1948-23,1967)","1957","10","","166","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310264","5.54","","5.54","","23.15","","90","","90","","120","","615.32","","","","","","","","","","","","","1","R -3 m :H","-R 3 2""","166","","Na5 Pb2","","- Pb2 -","- Pb2 -","- Pb6 -","3","0.0833333","","Weston, N.E.; Shoemaker, D.P.","The crystal structures of three phases in the Pb-Na system","Acta Crystallographica (1,1948-23,1967)","1957","10","","775","775","","","","","","","","","","","","","","","","","","","","","","has coordinates","143487","2020-10-21","18:00:00",""
"2310265","5.51","","5.51","","40.39","","90","","90","","120","","1061.96","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","","Na13 Pb5","","- Pb5 -","- Pb5 -","- Pb10 -","2","0.0833333","","Weston, N.E.; Shoemaker, D.P.","The crystal structures of three phases in the Pb-Na system","Acta Crystallographica (1,1948-23,1967)","1957","10","","775","775","","","","","","","","","","","","","","","","","","","","","","has coordinates","143489","2020-10-21","18:00:00",""
"2310313","16.983","","4.752","","9.07","","90","","90","","90","","731.978","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","","","- Cr9.54 Mo25.24 Ni21.22 -","- Cr9.54 Mo25.24 Ni21.22 -","- Cr9.54 Mo25.24 Ni21.22 -","1","0.125","","Shoemaker, D.P.; Shoemaker, C.B.; Wilson, F.C.","The crystal structure of the P-phase, Mo - Ni - Cr. II. Refinemant of parameters and discussion of atomic coordination","Acta Crystallographica (1,1948-23,1967)","1957","10","","1","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310525","6.65","","4.79","","7.86","","90","","112.4","","90","","231.477","","","","","","","","","","","","","3","A 1 2/a 1","-A 2ya","15","","N H2 N O2","","- H2 N2 O2 -","- H2 N2 O2 -","- H8 N8 O8 -","4","0.5","","Beevers, C.A.; Trotman-Dickenson, A.F.","The Crystal Structure of Nitramide, N H2 N O2","Acta Crystallographica (1,1948-23,1967)","1957","10","","34","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","194474","2020-10-21","18:00:00",""
"2310537","7.78","","11.07","","6","","90","","103.1","","90","","503.3","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","C (N H2)2 (N H N H2) Cl","","- C H7 Cl N4 -","- C Cl N4 -","- C4 Cl4 N16 -","4","1","","Bryden, J.H.","The Crystal Structure of Aminoguanidine Hydrochloride","Acta Crystallographica (1,1948-23,1967)","1957","10","","677","680","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310561","5.155","","7.842","","6.338","","90","","90","","90","","256.217","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Ni S O4","","- Ni O4 S -","- Ni O4 S -","- Ni4 O16 S4 -","4","0.25","","Dimaras, P.I.","Morphology and Structure of Anhydrous Nickel Sulphate","Acta Crystallographica (1,1948-23,1967)","1957","10","","313","315","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310566","4.787","","4.787","","4.787","","36.3","","36.3","","36.3","","34.405","","","","","","","","","","","","","3","R -3 m :R","-P 3* 2","166","","H (Cr O2)","","- Cr H O2 -","- Cr H O2 -","- Cr H O2 -","1","0.0833333","","Douglass, R.M.","The crystal structure of H Cr O2","Acta Crystallographica (1,1948-23,1967)","1957","10","","423","427","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310582","10.25","","10.25","","3.84","","90","","90","","90","","403.44","","","","","","","","","","","","","4","I -4","I -4","82","","N H4 Cu7 S4","","- Cu7 H4 N S4 -","- Cu7 N S4 -","- Cu14 N2 S8 -","2","0.25","","Gattow, G.","Die Kristallstruktur von N H4 Cu7 S4","Acta Crystallographica (1,1948-23,1967)","1957","10","","549","553","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310587","5.525","","5.53","","7.819","","90","","90","","90","","238.896","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","La Co0.2 Mn0.8 O3","","- Co0.2 La Mn0.8 O3 -","- Co0.2 La Mn0.8 O3 -","- Co0.8 La4 Mn3.2 O12 -","4","0.5","","Gilleo, M.A.","Crystallographic Studies of Perovskite-Like Compounds. III. Mn(1-x) O3 with M = Co, Fe and Cr","Acta Crystallographica (1,1948-23,1967)","1957","10","","161","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310589","5.46","","5.541","","7.531","","90","","90","","90","","227.842","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- Pd S2 -","- Pd S2 -","- Pd4 S8 -","4","0.5","","Gronvold, F.; Rost, E.","The crystal structure of Pd Se2 and Pd S2","Acta Crystallographica (1,1948-23,1967)","1957","10","","329","331","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310594","9.52","","5.47","","18.19","","90","","101.65","","90","","927.72","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Fe7 Mg1.2 (Al15 Si8 O40) (O H)12","","- Al15 Fe7 H12 Mg1.2 O52 Si8 -","- Al15 Fe7 Mg1.2 O52 Si8 -","- Al15 Fe7 Mg1.2 O52 Si8 -","1","0.125","","Harrison, F.W.; Brindley, G.W.","The crystal structure of chloritoid","Acta Crystallographica (1,1948-23,1967)","1957","10","","77","82","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310596","15.45","","4.05","","9.43","","90","","116.83","","90","","526.539","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Na (O H) (H2 O)4","","- H9 Na O5 -","- Na O5 -","- Na4 O20 -","4","0.5","","Hemily, P.W.","Structures cristallines des hydrates de la soude. I. Structure cristalline de Na O H (H2 O)4","Acta Crystallographica (1,1948-23,1967)","1957","10","","37","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310597","5.279","","5.279","","5.279","","56.97","","56.97","","56.97","","96.757","","","","","","","","","","","","","2","R -3 c :R","-P 3* 2n","167","","","","- Co F3 -","- Co F3 -","- Co2 F6 -","2","0.166667","","Hepworth, M.A.; Jack, K.H.; Peacock, R.D.; Westland, G.J.","The crystal structures of the trifluorides of iron, cobalt, ruthenium, rhodium, palladium and iridium","Acta Crystallographica (1,1948-23,1967)","1957","10","","63","69","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310598","5.408","","5.408","","5.408","","54.67","","54.67","","54.67","","97.951","","","","","","","","","","","","","2","R -3 c :R","-P 3* 2n","167","","Ru F3","","- F3 Ru -","- F3 Ru -","- F6 Ru2 -","2","0.166667","","Hepworth, M.A.; Jack, K.H.; Westland, G.J.; Peacock, R.D.","The crystal structures of the trifluorides of iron, cobalt, ruthenium, rhodium, palladium and iridium","Acta Crystallographica (1,1948-23,1967)","1957","10","","63","69","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310599","5.33","","5.33","","5.33","","54.42","","54.42","","54.42","","93.137","","","","","","","","","","","","","2","R -3 c :R","-P 3* 2n","167","","Rh F3","","- F3 Rh -","- F3 Rh -","- F6 Rh2 -","2","0.166667","","Hepworth, M.A.; Peacock, R.D.; Jack, K.H.; Westland, G.J.","The crystal structures of the trifluorides of iron, cobalt, ruthenium, rhodium, palladium and iridium","Acta Crystallographica (1,1948-23,1967)","1957","10","","63","69","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310600","5.5234","","5.5234","","5.5234","","53.925","","53.925","","53.925","","102.241","","","","","","","","","","","","","2","R -3 c :R","-P 3* 2n","167","","Pd F3","","- F3 Pd -","- F3 Pd -","- F6 Pd2 -","2","0.166667","","Hepworth, M.A.; Peacock, R.D.; Jack, K.H.; Westland, G.J.","The crystal structures of the trifluorides of iron, cobalt, ruthenium, rhodium, palladium and iridium","Acta Crystallographica (1,1948-23,1967)","1957","10","","63","69","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310601","5.418","","5.418","","5.418","","54.13","","54.13","","54.13","","97.049","","","","","","","","","","","","","2","R -3 c :R","-P 3* 2n","167","","Ir F3","","- F3 Ir -","- F3 Ir -","- F6 Ir2 -","2","0.166667","","Hepworth, M.A.; Jack, K.H.; Peacock, R.D.; Westland, G.J.","The crystal structures of the trifluorides of iron, cobalt, ruthenium, rhodium, palladium and iridium","Acta Crystallographica (1,1948-23,1967)","1957","10","","63","69","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310616","5.348","","7.615","","5.417","","90","","90","","90","","220.607","","","","","","","","","","","","","3","P c 21 n","P -2n -2ac","33","","Cd Ti O3","","- Cd O3 Ti -","- Cd O3 Ti -","- Cd4 O12 Ti4 -","4","1","","Kay, H.F.; Miles, J.L.","The Structure of Cadmium Titanate and Sodium Tantalate","Acta Crystallographica (1,1948-23,1967)","1957","10","","213","218","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310617","5.4941","","7.7508","","5.513","","90","","90","","90","","234.764","","","","","","","","","","","","","3","P c 21 n","P -2n -2ac","33","","Na (Ta O3)","","- Na O3 Ta -","- Na O3 Ta -","- Na4 O12 Ta4 -","4","1","","Kay, H.F.; Miles, J.L.","The structure of cadmium titanate and sodium tantalate","Acta Crystallographica (1,1948-23,1967)","1957","10","","213","218","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310618","5.367","","7.6438","","5.4439","","90","","90","","90","","223.332","","","","","","","","","","","","","3","P c m n","-P 2n 2ac","62","","Ca (Ti O3)","","- Ca O3 Ti -","- Ca O3 Ti -","- Ca4 O12 Ti4 -","4","0.5","","Kay, H.F.; Bailey, P.C.","Structure and properties of Ca Ti O3","Acta Crystallographica (1,1948-23,1967)","1957","10","","219","226","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310619","4.6","","5.66","","4.91","","90","","90.01","","90","","127.837","","","","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","Ni (W O4)","","- Ni O4 W -","- Ni O4 W -","- Ni2 O8 W2 -","2","0.5","","Keeling, R.O.jr.","The structure of Ni W O4","Acta Crystallographica (1,1948-23,1967)","1957","10","","209","213","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310627","8.74","","7.96","","12.32","","90","","138.6","","90","","566.815","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ag (S C N)","","- C Ag N S -","- C Ag N S -","- C8 Ag8 N8 S8 -","8","1","","Lindqvist, I.","On the crystal structure of silver thiocyanate","Acta Crystallographica (1,1948-23,1967)","1957","10","","29","32","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310628","4.02","","23.86","","7.23","","90","","96.08","","90","","689.581","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(N H4) Ag (S C N)2","","- C2 H4 Ag N3 S2 -","- C2 Ag N3 S2 -","- C8 Ag4 N12 S8 -","4","1","","Lindqvist, I.; Strandberg, B.","The crystal structure of ammonium silver dithiocyanate","Acta Crystallographica (1,1948-23,1967)","1957","10","","173","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310629","6.936","","6.166","","7.548","","90","","102.61","","90","","315.022","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","K2 (S2 O5)","","- K2 O5 S2 -","- K2 O5 S2 -","- K4 O10 S4 -","2","0.5","","Lindqvist, I.; Moertsell, M.","The structure of potassium pyrosulfite and the nature of the pyrosulfite ion","Acta Crystallographica (1,1948-23,1967)","1957","10","","406","409","","","","","","","","","","","","","","","","","","","","","","has coordinates","151274","2020-10-21","18:00:00",""
"2310643","7.528","","7.528","","6.253","","90","","90","","120","","306.887","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","(N H2 N H)3 C Cl","","- C H9 Cl N6 -","- C H9 Cl N6 -","- C2 H18 Cl2 N12 -","2","0.166667","","Okaya, Y.; Pepinsky, R.","Crystal Structure of Triaminoguanidium Chloride, (NH~2~.NH)~3~C.Cl","Acta Crystallographica (1,1948-23,1967)","1957","10","11","681","684","10.1107/S0365110X57002364","","","","","","","","","","","","","","","","","","","","","has coordinates","189486","2020-10-21","18:00:00",""
"2310653","6.04","","6.04","","7.78","","90","","90","","90","","283.827","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","Cu Cr2 O4","","- Cr2 Cu O4 -","- Cr2 Cu O4 -","- Cr8 Cu4 O16 -","4","0.25","","Prince, E.","Crystal and magnetic structure of copper chromite","Acta Crystallographica (1,1948-23,1967)","1957","10","","554","556","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310654","4.74","","5.64","","13.8","","90","","90","","90","","368.924","","","","","","","","","","","","","3","P c m n","-P 2n 2ac","62","","K (Cl O3)","","- Cl K O3 -","- Cl K O3 -","- Cl4 K4 O12 -","4","0.5","","Ramachandran, G.N.; Lonappan, M.A.","The structure of high-temperature potassium chlorate","Acta Crystallographica (1,1948-23,1967)","1957","10","","281","287","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310672","3.7893","","14.975","","3.7606","","90","","90","","90","","213.394","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Zr Ge2","","- Ge2 Zr -","- Ge2 Zr -","- Ge8 Zr4 -","4","0.25","","Smith, J.F.; Bailey, D.M.","The Structures of Zr Ge2, Hf Si2 and Hf Ge2","Acta Crystallographica (1,1948-23,1967)","1957","10","","341","342","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310673","3.8154","","15.004","","3.7798","","90","","90","","90","","216.379","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Hf Ge2","","- Ge2 Hf -","- Ge2 Hf -","- Ge8 Hf4 -","4","0.25","","Smith, J.F.; Bailey, D.M.","The Structures of Zr Ge2, Hf Si2 and Hf Ge2","Acta Crystallographica (1,1948-23,1967)","1957","10","","341","342","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310690","6.68","","3.6","","12.03","","90","","107.83","","90","","275.402","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Li V3 O8","","- Li O8 V3 -","- Li O8 V3 -","- Li2 O16 V6 -","2","0.5","","Wadsley, A.D.","Crystal chemistry of non-stoichiometric pentavalent vanadium O crystal structure of Li(1+X) V3 O8","Acta Crystallographica (1,1948-23,1967)","1957","10","","261","267","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310695","7.22","","7.22","","17.93","","90","","90","","120","","809.441","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cs3 (Cr2 Cl9)","","- Cl9 Cr2 Cs3 -","- Cl9 Cr2 Cs3 -","- Cl18 Cr4 Cs6 -","2","0.0833333","","Wessel, G.J.; Ijdo, D.J.W.","The crystal structure of Cs3 Cr2 Cl9","Acta Crystallographica (1,1948-23,1967)","1957","10","","466","468","","","","","","","","","","","","","","","","","","","","","","has coordinates","151869","2020-10-21","18:00:00",""
"2310700","6.21","","11.72","","6.05","","90","","90","","90","","440.326","","","","","","","","","","","","","3","P c a b","-P 2bc 2ac","61","","Na (O H) (H2 O)","","- H3 Na O2 -","- Na O2 -","- Na8 O16 -","8","1","","Wunderlich, J.A.","Structures cristallines des hydrates de la soude. III. La structure cristalline de Na O H H2 O","Acta Crystallographica (1,1948-23,1967)","1957","10","","462","463","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310703","8.39","","5","","6.21","","90","","114.5","","90","","237.054","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Li2 (C O3)","","- C Li2 O3 -","- C Li2 O3 -","- C4 Li8 O12 -","4","0.5","","Zemann, J.","Die Kristallstruktur von Li2 C O3","Acta Crystallographica (1,1948-23,1967)","1957","10","","664","666","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310706","8.904","","5.037","","13.448","","90","","92.74","","90","","602.446","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","Mn F3","","- F3 Mn -","- F3 Mn -","- F36 Mn12 -","12","1.5","","Hepworth, M.A.; Jack, K.H.","The crystal structure of manganese trifluoride, Mn F3","Acta Crystallographica (1,1948-23,1967)","1957","10","","345","351","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310974","11.77","","3.962","","11.62","","90","","90","","90","","541.872","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Sb2 Se3 -","- Sb2 Se3 -","- Sb8 Se12 -","4","0.5","","Tideswell, N.W.; Kruse, F.H.; McCullough, J.D.","The crystal structure of antimony selenide, Sb2 Se3","Acta Crystallographica (1,1948-23,1967)","1957","10","","99","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311006","4.2","","4.2","","8.01","","90","","90","","90","","141.296","","","","","","","","","","","","","2","I 41/a m d :1","I 4bw 2bw -1bw","141","","","","- Mo2 N0.76 -","- Mo2 N0.76 -","- Mo8 N3.04 -","4","0.125","","Evans, D.A.; Jack, K.H.","The alpha->beta phase transformation in the Mo-N system","Acta Crystallographica (1,1948-23,1967)","1957","10","","833","834","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"3000243","3.0778","0.0006","5.335","0.0014","15.1219","0.0006","90","","90","","90","","248.3","0.08","291.66","","291.66","","","","","","","","","2","C m c 21","C 2c -2","36","","","Moissanite 6O SiC","- C Si -","- C Si -","- C12 Si12 -","12","1.5","","El Mendili, Yassine; Orberger, Beate; Chateigner, Daniel; Bardeau, Jean-François; Gascoin, Stéphanie; Petit, Sébastien; Perez, Olivier; Khadraoui, Fouzia","Insight into the structural, elastic and electronic properties of a new orthorhombic 6O-SiC polytype","Scientific Reports","2020","10","1","7562","","10.1038/s41598-020-64415-4","","x-ray","1.54184","CuKα","","0.0452","0.0329","","","0.0438","0.0442","","","","3.81","3.81","3","","","","has coordinates","251946","2020-10-21","18:00:00",""
"4001657","3.9101","0.0001","3.9101","0.0001","9.4758","0.0006","90","","90","","90","","144.874","0.011","293","2","293","2","","","","","","","CaS + CuI + NH4I in NH3 at 365 C","4","P 4/m m m","-P 4 2","123","Ammonium tetracoppertrisulfide","","","- Cu4 H4 N S3 -","- Cu4 H2 N S3 -","- Cu4 H2 N S3 -","1","0.0625","","Purdy, Andrew P.","Ammonothermal Crystal Growth of Sulfide Materials","Chemistry of Materials","1998","10","3","692","","10.1021/cm970674h","","","0.71073","MoKα","","0.0334","0.0274","","0.0701","0.0661","","","","1.072","1.091","1.091","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001658","3.94","0.0004","3.94","0.0004","6.523","0.0013","90","","90","","120","","87.69","0.02","293","2","293","2","","","","","","","CaS + CuI + NH4I in NH3 at 365 C","3","P -3 m 1","-P 3 2""","164","calcium copper sulfide","","","- Ca Cu2 S2 -","- Ca Cu2 S2 -","- Ca Cu2 S2 -","1","0.0833333","","Purdy, Andrew P.","Ammonothermal Crystal Growth of Sulfide Materials","Chemistry of Materials","1998","10","3","692","","10.1021/cm970674h","","","0.71073","MoKα","","0.0597","0.0463","","0.139","0.1283","","","","1.128","1.153","1.153","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001733","9.373","","9.373","","3.028","","90","","90","","90","","266.019","","","","","","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","Sc2 Fe Ir5 B2","","- B2 Fe Ir5 Sc2 -","- B2 Fe Ir5 Sc2 -","- B4 Fe2 Ir10 Sc4 -","2","0.125","","Jung, W.; Nagelschmitz, E.A.","Scandium iridium boride Sc3 Ir5 B2 and the quaternary derivatives Sc2 M Ir5 B2 with M = Be, Al, Si, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Gaor Ge : preparation, crystal structure and physical properties","Chemistry of Materials (1,1989-)","1998","10","","3189","3195","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001734","9.227","","9.227","","3.069","","90","","90","","90","","261.287","","","","","","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","Sc2 Si Ir5 B2","","- B2 Ir5 Sc2 Si -","- B2 Ir5 Sc2 Si -","- B4 Ir10 Sc4 Si2 -","2","0.125","","Jung, W.; Nagelschmitz, E.A.","Scandium iridium boride Sc3 Ir5 B2 and the quaternary derivatives Sc2 M Ir5 B2 with M = Be, Al, Si, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Ga or Ge : preparation, crystal structure and physical properties","Chemistry of Materials (1,1989-)","1998","10","","3189","3195","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001735","9.29","","9.29","","3.116","","90","","90","","90","","268.924","","","","","","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","Sc2 V Ir5 B2","","- B2 Ir5 Sc2 V -","- B2 Ir5 Sc2 V -","- B4 Ir10 Sc4 V2 -","2","0.125","","Nagelschmitz, E.A.; Jung, W.","Scandium iridium boride Sc3 Ir5 B2 and the quaternary derivatives Sc2 M Ir5 B2 with M = Be, Al, Si, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Ga or Ge : preparation, crystal structure and physical properties","Chemistry of Materials (1,1989-)","1998","10","","3189","3195","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001840","6.8967","0.0007","6.8967","0.0007","17.166","0.002","90","","90","","90","","816.49","0.15","293","2","293","2","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","","","- Er H5 O10 S2 -","- Er H5 O10 S2 -","- Er4 H20 O40 S8 -","4","0.125","","Wickleder, Mathias S.","Synthesis, Crystal Structure, and Thermal Behavior of the Rare Earth Sulfates (H5O2)M(SO4)2(M = Ho, Er, Y)","Chemistry of Materials","1998","10","10","3212","","10.1021/cm980301w","","","0.71073","MoKα","","0.0126","0.0122","","0.0356","0.0353","","","","1.042","1.04","1.04","","","","","has coordinates","200438","2020-10-21","18:00:00",""
"4001893","8.1484","0.0004","8.1484","0.0004","8.1484","0.0004","90","","90","","90","","541.02","0.05","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1.27/1.73/4.06)","","- Li1.24 Mn1.72 O4 -","- Li1.24 Mn1.72 O4 -","- Li9.92 Mn13.76 O32 -","8","0.0416667","","Ammundsen, Brett; Jones, Deborah J.; Rozière, Jacques; Berg, Helena; Tellgren, Roland; Thomas, John O.","Ion exchange in manganese dioxide spinel: proton, deuteron, and lithium sites determined from neutron powder diffraction data","Chemistry of Materials","1998","10","6","1680","1687","10.1021/cm9800478","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4028968","6.9659","0.0003","7.5441","0.0004","13.4092","0.0005","90.994","0.004","90.947","0.004","106.218","0.005","676.36","0.06","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H14 Br N3 O2 -","- C13 H14 Br N3 O2 -","- C26 H28 Br2 N6 O4 -","2","1","","Pavlovskaya, Tatyana L.; Yaremenko, Fedor G.; Lipson, Victoria V.; Shishkina, Svetlana V.; Shishkin, Oleg V.; Musatov, Vladimir I.; Karpenko, Alexander S.","The regioselective synthesis of spirooxindolo pyrrolidines and pyrrolizidines via three-component reactions of acrylamides and aroylacrylic acids with isatins and α-amino acids.","Beilstein journal of organic chemistry","2014","10","","117","126","10.3762/bjoc.10.8","","","0.71073","MoKα","","0.0728","0.0464","","","0.1022","0.111","","","","","","1.049","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028969","8.8751","0.0007","10.5764","0.0009","12.3519","0.001","75.858","0.005","84.297","0.005","76.237","0.005","1090.96","0.16","466","2","466","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H19 Br Cl2 N2 O5 -","- C21 H19 Br Cl2 N2 O5 -","- C42 H38 Br2 Cl4 N4 O10 -","2","1","","Pavlovskaya, Tatyana L.; Yaremenko, Fedor G.; Lipson, Victoria V.; Shishkina, Svetlana V.; Shishkin, Oleg V.; Musatov, Vladimir I.; Karpenko, Alexander S.","The regioselective synthesis of spirooxindolo pyrrolidines and pyrrolizidines via three-component reactions of acrylamides and aroylacrylic acids with isatins and α-amino acids.","Beilstein journal of organic chemistry","2014","10","","117","126","10.3762/bjoc.10.8","","","0.71073","MoKα","","0.082","0.043","","","0.1012","0.1103","","","","","","1.055","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4029324","34.473","0.004","5.5047","0.0004","17.7523","0.0017","90","","101.619","0.01","90","","3299.7","0.6","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,6,7-Triphenyl-5-oxa-1-azabicyclo[4.1.0]hept-3-en-2-one","","- C23 H17 N O2 -","- C23 H17 N O2 -","- C184 H136 N8 O16 -","8","1","","Khlebnikov, Alexander F.; Novikov, Mikhail S.; Pakalnis, Viktoriia V.; Iakovenko, Roman O.; Yufit, Dmitry S.","Domino reactions of 2H-azirines with acylketenes from furan-2,3-diones: Competition between the formation of ortho-fused and bridged heterocyclic systems.","Beilstein journal of organic chemistry","2014","10","","784","793","10.3762/bjoc.10.74","","","0.7107","MoKα","Mo","0.189","0.0737","","","0.0951","0.1376","","","","","","0.902","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029325","12.1236","0.0005","18.2526","0.0007","13.4793","0.0005","90","","103.738","0.004","90","","2897.5","0.2","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(6aRS,12aRS)-6a,12a-Bis(4-methoxyphenyl)-2,8-diphenyl-6,6a,12,12a-tetrahydrobis- [1,3]oxazino[3,2-a:3',2'-d]pyrazine-4,10-dione","","- C36 H30 N2 O6 -","- C36 H30 N2 O6 -","- C144 H120 N8 O24 -","4","1","","Khlebnikov, Alexander F.; Novikov, Mikhail S.; Pakalnis, Viktoriia V.; Iakovenko, Roman O.; Yufit, Dmitry S.","Domino reactions of 2H-azirines with acylketenes from furan-2,3-diones: Competition between the formation of ortho-fused and bridged heterocyclic systems.","Beilstein journal of organic chemistry","2014","10","","784","793","10.3762/bjoc.10.74","","","0.7107","MoKα","Mo","0.0981","0.0567","","","0.1074","0.1284","","","","","","1.043","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029326","14.56","0.0005","17.9642","0.0006","17.1799","0.0006","90","","105.85","0.001","90","","4322.7","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,6,8-Triphenyl-5,7-dioxa-1-azabicyclo[4.4.1]undeca-3,8-diene-2,10-dione","","- C26 H19 N O4 -","- C26 H19 N O4 -","- C208 H152 N8 O32 -","8","2","","Khlebnikov, Alexander F.; Novikov, Mikhail S.; Pakalnis, Viktoriia V.; Iakovenko, Roman O.; Yufit, Dmitry S.","Domino reactions of 2H-azirines with acylketenes from furan-2,3-diones: Competition between the formation of ortho-fused and bridged heterocyclic systems.","Beilstein journal of organic chemistry","2014","10","","784","793","10.3762/bjoc.10.74","","x-ray","1.54178","CuKα","K-L~3~","0.0704","0.044","","","0.0993","0.1073","","","","","","0.991","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029327","8.062","0.0005","16.422","0.001","16.717","0.001","90","","90","","90","","2213.2","0.2","123","2","123","2","","","","","","","","2","P 21 c a","P -2ac 2a","29","","","","- C37 H20 -","- C37 H20 -","- C148 H80 -","4","1","","Shrestha, Binod Babu; Higashibayashi, Shuhei; Sakurai, Hidehiro","Columnar/herringbone dual crystal packing of pyrenylsumanene and its photophysical properties.","Beilstein journal of organic chemistry","2014","10","","841","847","10.3762/bjoc.10.80","","","0.71069","MoKα","","0.1684","0.0639","","","0.1308","0.1715","","","","","","0.933","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029421","9.9427","0.0015","16.894","0.003","14.819","0.002","90","","109.195","0.002","90","","2350.8","0.6","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N O2 P -","- C29 H24 N O2 P -","- C116 H96 N4 O8 P4 -","4","1","","Gangadhararao, G.; Kotikalapudi, Ramesh; Nagarjuna Reddy, M.; Swamy, K. C. Kumara","Allenylphosphine oxides as simple scaffolds for phosphinoylindoles and phosphinoylisocoumarins.","Beilstein journal of organic chemistry","2014","10","","996","1005","10.3762/bjoc.10.99","","","0.71073","MoKα","","0.0465","0.0408","","","0.1101","0.114","","","","","","1.074","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029422","11.2497","0.0006","21.1287","0.0009","15.288","0.0006","90","","90","","90","","3633.8","0.3","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H20 N O P -","- C22 H20 N O P -","- C176 H160 N8 O8 P8 -","8","1","","Gangadhararao, G.; Kotikalapudi, Ramesh; Nagarjuna Reddy, M.; Swamy, K. C. Kumara","Allenylphosphine oxides as simple scaffolds for phosphinoylindoles and phosphinoylisocoumarins.","Beilstein journal of organic chemistry","2014","10","","996","1005","10.3762/bjoc.10.99","","","0.71073","MoKα","","0.0537","0.043","","","0.1076","0.1141","","","","","","1.085","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029423","9.744","0.0019","9.9918","0.0017","10.2864","0.0018","84.229","0.014","76.556","0.016","66.323","0.018","892","0.3","298","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H17 O3 P -","- C22 H17 O3 P -","- C44 H34 O6 P2 -","2","1","","Gangadhararao, G.; Kotikalapudi, Ramesh; Nagarjuna Reddy, M.; Swamy, K. C. Kumara","Allenylphosphine oxides as simple scaffolds for phosphinoylindoles and phosphinoylisocoumarins.","Beilstein journal of organic chemistry","2014","10","","996","1005","10.3762/bjoc.10.99","","","0.71073","MoKα","","0.0686","0.0455","","","0.1114","0.1191","","","","","","1.01","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029424","7.9413","0.0019","7.9674","0.0019","9.746","0.002","66.05","0.02","79.379","0.019","62.93","0.02","501.8","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H9 Br O2 -","- C11 H9 Br O2 -","- C22 H18 Br2 O4 -","2","1","","Gangadhararao, G.; Kotikalapudi, Ramesh; Nagarjuna Reddy, M.; Swamy, K. C. Kumara","Allenylphosphine oxides as simple scaffolds for phosphinoylindoles and phosphinoylisocoumarins.","Beilstein journal of organic chemistry","2014","10","","996","1005","10.3762/bjoc.10.99","","","0.71073","MoKα","","0.0513","0.0425","","","0.1021","0.1108","","","","","","1.097","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029596","11.7538","0.0017","11.8065","0.0017","22.371","0.003","90","","90","","90","","3104.5","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","RO_3-061","","","- C31 H47 N O4 Si -","- C31 H47 N O4 Si -","- C124 H188 N4 O16 Si4 -","4","1","","Ries, Oliver; Büschleb, Martin; Granitzka, Markus; Stalke, Dietmar; Ducho, Christian","Amino acid motifs in natural products: synthesis of O-acylated derivatives of (2S,3S)-3-hydroxyleucine.","Beilstein journal of organic chemistry","2014","10","","1135","1142","10.3762/bjoc.10.113","","","0.71073","MoKα","","0.0292","0.0271","","","0.0641","0.0655","","","","","","1.061","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029597","7.6353","0.0011","8.0212","0.0017","12.559","0.003","88.846","0.019","76.201","0.017","66.218","0.017","681","0.3","120","","120","","","","","","","","","5","P -1","-P 1","2","","Diethyl 2-fluoro-2-(2-nitrophenyl)-malonate","","- C13 H14 F N O6 -","- C13 H14 F N O6 -","- C26 H28 F2 N2 O12 -","2","1","","Harsanyi, Antal; Sandford, Graham; Yufit, Dmitri S.; Howard, Judith Ak","Syntheses of fluorooxindole and 2-fluoro-2-arylacetic acid derivatives from diethyl 2-fluoromalonate ester.","Beilstein journal of organic chemistry","2014","10","","1213","1219","10.3762/bjoc.10.119","","","0.7107","MoKα","Mo","0.1339","0.0733","","","0.1489","0.1932","","","","","","1.014","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029598","7.2946","0.0007","16.473","0.002","7.7761","0.0011","90","","90","","90","","934.4","0.2","120","","120","","","","","","","","","5","P n a 21","P 2c -2n","33","","Methyl 2-fluoro-2-(2-nitrophenyl)acetate","","- C9 H8 F N O4 -","- C9 H8 F N O4 -","- C36 H32 F4 N4 O16 -","4","1","","Harsanyi, Antal; Sandford, Graham; Yufit, Dmitri S.; Howard, Judith Ak","Syntheses of fluorooxindole and 2-fluoro-2-arylacetic acid derivatives from diethyl 2-fluoromalonate ester.","Beilstein journal of organic chemistry","2014","10","","1213","1219","10.3762/bjoc.10.119","","","0.7107","MoKα","Mo","0.086","0.0534","","","0.1065","0.1266","","","","","","1.096","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029599","5.6568","0.0003","15.4823","0.0009","7.1654","0.0004","90","","96.767","0.002","90","","623.18","0.06","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-fluoromethyl-3-nitropyridine","","- C6 H5 F N2 O2 -","- C6 H5 F N2 O2 -","- C24 H20 F4 N8 O8 -","4","1","","Harsanyi, Antal; Sandford, Graham; Yufit, Dmitri S.; Howard, Judith Ak","Syntheses of fluorooxindole and 2-fluoro-2-arylacetic acid derivatives from diethyl 2-fluoromalonate ester.","Beilstein journal of organic chemistry","2014","10","","1213","1219","10.3762/bjoc.10.119","","x-ray","0.71073","MoKα","K-L~3~","0.0587","0.0462","","","0.1217","0.1347","","","","","","1.036","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029830","5.2508","0.0005","14.2668","0.0012","19.7267","0.0013","90","","90","","90","","1477.8","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Cl2 O3 -","- C13 H15 Cl2 O4 -","- C52 H60 Cl8 O16 -","4","1","","Ding, Haixin; Li, Wei; Ruan, Zhizhong; Yang, Ruchun; Mao, Zhijie; Xiao, Qiang; Wu, Jun","Concise total synthesis of two marine natural nucleosides: trachycladines A and B.","Beilstein journal of organic chemistry","2014","10","","1681","1685","10.3762/bjoc.10.176","","","0.71073","MoKα","","0.0756","0.0548","","","0.1668","0.1984","","","","","","0.791","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029844","8.2597","0.0009","9.772","0.001","11.0233","0.0009","95.851","0.007","99.783","0.008","100.761","0.009","853.13","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","cyclo-bis(ethinyldiphenylurea) - bis(dimethylformamide)","","- C40 H34 N6 O4 -","- C40 H34 N6 O4 -","- C40 H34 N6 O4 -","1","0.5","","Kretschmer, Claudia; Dittmann, Gertrud; Beck, Johannes","Macrocyclic bis(ureas) as ligands for anion complexation.","Beilstein journal of organic chemistry","2014","10","","1834","1839","10.3762/bjoc.10.193","","","0.71073","MoKα","","0.0727","0.0364","","","0.0903","0.1048","","","","","","0.991","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029845","8.2244","0.0013","17.995","0.002","12.1198","0.0017","90","","113.483","0.01","90","","1645.1","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","cyclo-bis(ethinyldiphenylurea) - bis(dimethylsulfoxide)","","- C38 H32 N4 O4 S2 -","- C38 H32 N4 O4 S2 -","- C76 H64 N8 O8 S4 -","2","0.5","","Kretschmer, Claudia; Dittmann, Gertrud; Beck, Johannes","Macrocyclic bis(ureas) as ligands for anion complexation.","Beilstein journal of organic chemistry","2014","10","","1834","1839","10.3762/bjoc.10.193","","","0.71073","MoKα","","0.1531","0.0522","","","0.0803","0.1038","","","","","","0.738","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029846","12.7152","0.0006","17.5556","0.0008","20.5472","0.0008","90","","125.548","0.003","90","","3731.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetraethylammonium-cyclo-bis(butadiynyldiphenylurea)-bromide complex","","- C42 H40 Br N5 O2 -","- C42 H40 Br N5 O2 -","- C168 H160 Br4 N20 O8 -","4","1","","Kretschmer, Claudia; Dittmann, Gertrud; Beck, Johannes","Macrocyclic bis(ureas) as ligands for anion complexation.","Beilstein journal of organic chemistry","2014","10","","1834","1839","10.3762/bjoc.10.193","","","0.71073","MoKα","","0.1654","0.0617","","","0.123","0.1628","","","","","","1.005","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029847","11.8302","0.0016","7.098","0.0015","13.47","0.0013","90","","102.437","0.008","90","","1104.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dihydroindoloquinolinone","","- C15 H10 N2 O -","- C15 H10 N2 O -","- C60 H40 N8 O4 -","4","1","","Kretschmer, Claudia; Dittmann, Gertrud; Beck, Johannes","Macrocyclic bis(ureas) as ligands for anion complexation.","Beilstein journal of organic chemistry","2014","10","","1834","1839","10.3762/bjoc.10.193","","","0.71073","MoKα","","0.0988","0.0421","","","0.0978","0.116","","","","","","0.985","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029967","9.8661","0.0002","12.1391","0.0003","12.6797","0.0003","74.046","0.002","77.445","0.002","67.218","0.002","1335.61","0.06","296","2","293","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 F3 N O3 -","- C14 H12 F3 N O3 -","- C56 H48 F12 N4 O12 -","4","2","","Kim, JungKeun; Shokova, Elvira; Tafeenko, Victor; Kovalev, Vladimir","(CF3CO)2O/CF3SO3H-mediated synthesis of 1,3-diketones from carboxylic acids and aromatic ketones.","Beilstein journal of organic chemistry","2014","10","","2270","2278","10.3762/bjoc.10.236","","","1.54186","CuKα","","0.1014","0.0422","","","0.1033","0.1203","","","","","","0.701","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029968","6.872","0.0002","22.4177","0.0004","7.7044","0.0002","90","","90.798","0.002","90","","1186.78","0.05","293","2","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Cl N O2 -","- C12 H14 Cl N O2 -","- C48 H56 Cl4 N4 O8 -","4","1","","Kim, JungKeun; Shokova, Elvira; Tafeenko, Victor; Kovalev, Vladimir","(CF3CO)2O/CF3SO3H-mediated synthesis of 1,3-diketones from carboxylic acids and aromatic ketones.","Beilstein journal of organic chemistry","2014","10","","2270","2278","10.3762/bjoc.10.236","","","1.54086","CuKα","","0.0735","0.0507","","","0.1203","0.1283","","","","","","0.875","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029969","4.7721","0.0001","11.6674","0.0004","28.3435","0.0007","90","","91.577","0.001","90","","1577.51","0.07","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","7-bromo-3-(bromphenyl)-2,4-dihydro-indeno[1,2-c]pyrazole","","","- C18 H14 Br2 N2 -","- C18 H14 Br2 N2 -","- C72 H56 Br8 N8 -","4","1","","Kim, JungKeun; Shokova, Elvira; Tafeenko, Victor; Kovalev, Vladimir","(CF3CO)2O/CF3SO3H-mediated synthesis of 1,3-diketones from carboxylic acids and aromatic ketones.","Beilstein journal of organic chemistry","2014","10","","2270","2278","10.3762/bjoc.10.236","","","1.54186","CuKα","","0.0521","0.04","","","0.0971","0.1001","","","","","","0.902","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029970","6.5776","0.0003","7.4148","0.0003","17.7488","0.0009","100.413","0.004","92.503","0.004","104.794","0.004","819.48","0.07","295","2","295","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H24 O2 -","- C21 H24 O2 -","- C42 H48 O4 -","2","1","","Kim, JungKeun; Shokova, Elvira; Tafeenko, Victor; Kovalev, Vladimir","(CF3CO)2O/CF3SO3H-mediated synthesis of 1,3-diketones from carboxylic acids and aromatic ketones.","Beilstein journal of organic chemistry","2014","10","","2270","2278","10.3762/bjoc.10.236","","","1.54086","CuKα","","0.0836","0.063","","","0.1678","0.1853","","","","","","0.752","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029994","7.4466","0.0008","11.1033","0.0012","12.5493","0.0013","74.933","0.005","73.64","0.005","78.131","0.005","951.49","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 F3 N2 O2 -","- C22 H17 F3 N2 O2 -","- C44 H34 F6 N4 O4 -","2","1","","Zhou, Xiaoli; Liu, Meiling; Luo, Puying; Lai, Yingjun; Yang, Tangtao; Ding, Qiuping","Synthesis of 2-trifluoromethylpyrazolo[5,1-a]isoquinolines via silver triflate-catalyzed or electrophile-mediated one-pot tandem reaction.","Beilstein journal of organic chemistry","2014","10","","2286","2292","10.3762/bjoc.10.238","","","0.71073","MoKα","","0.1102","0.0792","","","0.224","0.2589","","","","","","1.071","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029995","19.222","0.008","13.042","0.005","14.091","0.006","90","","95.239","0.005","90","","3518","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H13 F3 I N2 O2 -","- C18 H14 F3 I N2 O2 -","- C144 H112 F24 I8 N16 O16 -","8","1","","Zhou, Xiaoli; Liu, Meiling; Luo, Puying; Lai, Yingjun; Yang, Tangtao; Ding, Qiuping","Synthesis of 2-trifluoromethylpyrazolo[5,1-a]isoquinolines via silver triflate-catalyzed or electrophile-mediated one-pot tandem reaction.","Beilstein journal of organic chemistry","2014","10","","2286","2292","10.3762/bjoc.10.238","","","0.71073","MoKα","","0.0487","0.0409","","","0.1051","0.1118","","","","","","1.004","","","","has coordinates,has disorder","178478","2020-10-21","18:00:00",""
"4030315","13.5133","0.0016","13.5483","0.0008","9.6825","0.0005","90","","92.293","0.007","90","","1771.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Br N2 O3 -","- C18 H17 Br N2 O4 -","- C72 H68 Br4 N8 O16 -","4","1","","Singh, Radhey Mohan; Bharadwaj, Kishor Chandra; Tiwari, Dharmendra Kumar","Morita-Baylis-Hillman reaction of acrylamide with isatin derivatives.","Beilstein journal of organic chemistry","2014","10","","2975","2980","10.3762/bjoc.10.315","","","0.71073","MoKα","","0.2039","0.0639","","","0.106","0.1475","","","","","","0.943","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030342","11.9769","0.0012","6.797","0.0007","19.8608","0.0019","90","","90.491","0.002","90","","1616.7","0.3","186","2","186","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N4 S -","- C20 H14 N4 S -","- C80 H56 N16 S4 -","4","1","","Samanta, Debabrata; Rana, Anup; Bats, Jan W.; Schmittel, Michael","A one-pot multistep cyclization yielding thiadiazoloimidazole derivatives","Beilstein Journal of Organic Chemistry","2014","10","","2989","","10.3762/bjoc.10.317","","","0.71073","MoKα","","0.1359","0.0729","","","0.1319","0.1535","","","","","","1.043","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4031683","6.02","","6.02","","6.02","","90","","90","","90","","218.167","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ge Te -","- Ge Te -","- Ge4 Te4 -","4","0.0208333","","Shelimova, L.E.; Abrikosov, N.Kh.; Zhdanova, V.V.","The Ge-Te system in the region of the compound GeTe","Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)","1965","10","","650","652","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4331398","3.0391","","3.0391","","18.59","","90","","90","","120","","148.696","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Ag Fe O2 -","- Ag Fe O2 -","- Ag3 Fe3 O6 -","3","0.0833333","","Shannon, R.D.; Rogers, D.B.; Prewitt, C.T.","Chemistry of noble metal oxides","Inorganic Chemistry","1971","10","","719","723","10.1021/ic50098a012","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4331399","16.74","","7.25","","10.62","","90","","90.05","","90","","1288.9","","","","","","","","","","","","","3","I 1 2 1","I 2y","5","","Hg (C N)2 Ag N O3 (H2 O)2","","- Ag Hg O2 -","- Ag Hg O2 -","- Ag6 Hg6 O12 -","6","1.5","","Britton, D.; Mahon, C.","The Crystal Structure of Mercury(II) Cyanide-Silver Nitrate Dihydrate","Inorganic Chemistry","1971","10","","586","589","10.1021/ic50097a028","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4343786","10.517","","7.596","","8.599","","90","","100.85","","90","","674.669","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","K Sb2 F7","","- F7 K Sb2 -","- F7 K Sb2 -","- F28 K4 Sb8 -","4","1","","Mastin, S.H.; Ryan, R.R.","Crystal Structure of K Sb2 F7. On the Existence of the Sb2 F7 Ion","Inorganic Chemistry","1971","10","","1757","1760","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343796","19.315","","6.878","","5.594","","90","","90.09","","90","","743.154","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Cs (Sb2 F7)","","- Cs F7 Sb2 -","- Cs F7 Sb2 -","- Cs4 F28 Sb8 -","4","0.5","","Ryan, R.R.; Larson, A.C.; Mastin, S.H.","The geometry of the heptafluorodiantimonate ion. The crystal structure of cesium heptafluorodiantimonate(III)","Inorganic Chemistry","1971","10","","2793","2795","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344154","15.005","","13.401","","16.489","","90","","107.96","","90","","3154.08","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","S8 (As F6)2","","- As2 F12 S8 -","- As2 F12 S8 -","- As16 F96 S64 -","8","2","","Davies, C.G.; Gillespie, R.J.; Passmore, J.; Park, J.J.","Polyatomic Cations of Sulfur. II. The Crystal Structure of Octasulfur Bis(hexafluoroarsenate), S8 (As F6)2","Inorganic Chemistry","1971","10","","2781","2784","","","","","","","","","","","","","","","","","","","","","","has coordinates","158638","2020-10-21","18:00:00",""
"4344192","5.63","","5.63","","31.85","","90","","90","","120","","874.293","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","(Na2 O) (Mg O)4 (Al2 O3)15","","- Al30 Mg4 Na2 O50 -","- Al30.0016 Mg3.9984 Na2 O50 -","- Al30.0016 Mg3.9984 Na2 O50 -","1","0.0416667","","Bettman, M.; Terner, L.L.","On the structure of (Na2 O) (Mg O)4 (Al2 O3)15, a Variant of beta-Alumina","Inorganic Chemistry","1971","10","","1442","1446","","","","","","","","","","","","","","","","","","","","","","has coordinates","160808","2020-10-21","18:00:00",""
"4344194","8.518","","8.518","","8.518","","90","","90","","90","","618.035","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ba2 Nd Mo O6","","- Ba2 Mo Nd O6 -","- Ba2 Mo Nd O6 -","- Ba8 Mo4 Nd4 O24 -","4","0.0208333","","Brandle, C.D.; Steinfink, H.","Phase Transitions in Ordered Barium-Rare Earth-Molybdenum Perovskites","Inorganic Chemistry","1971","10","","922","926","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344198","7.721","","5.606","","17.202","","90","","109.78","","90","","700.64","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Se4 (H S2 O7)2","","- H2 O14 S4 Se4 -","- O14 S4 Se4 -","- O28 S8 Se8 -","2","0.5","","Brown, I.D.; Crump, D.B.; Gillespie, R.J.","The Crystal Structure of Tetraselenium Bis(hydrogen disulfate)","Inorganic Chemistry","1971","10","","2319","2323","","","","","","","","","","","","","","","","","","","","","","has coordinates","160904","2020-10-21","18:00:00",""
"4344199","12.398","","9.562","","8.246","","90","","90","","90","","977.561","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Yb5 Sb3","","- Sb3 Yb5 -","- Sb3 Yb5 -","- Sb12 Yb20 -","4","0.5","","Brunton, G.D.; Steinfink, H.","The crystal structure of beta-ytterbium triantimonide, a low-temperature phase","Inorganic Chemistry","1971","10","","2301","2303","","","","","","","","","","","","","","","","","","","","","","has coordinates","160918","2020-10-21","18:00:00",""
"4344202","17.076","","10.404","","15.252","","90","","116.82","","90","","2418.17","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","Te Cl4","","- Cl4 Te -","- Cl4 Te -","- Cl64 Te16 -","16","2","","Buss, B.; Krebs, B.","The Crystal Structure of Tellurium Tetrachloride","Inorganic Chemistry","1971","10","","2795","2800","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344222","10.672","","10.672","","10.672","","90","","90","","90","","1215.45","","","","","","","","","","","","","5","F m -3","-F 2 2 3","202","","K2 Pb (Cu (N O2)6)","","- Cu K2 N6 O12 Pb -","- Cu K2 N6 O12 Pb -","- Cu4 K8 N24 O48 Pb4 -","4","0.0416667","","Cullen, D.L.; Lingafelter, E.C.","Redetermination of the crystal structure of potassium lead hexanitrocuprate(II), K2 Pb Cu (N O2)6","Inorganic Chemistry","1971","10","","1264","1268","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344223","14.124","","8.432","","7.028","","90","","108","","90","","796.024","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","U O2 (N O3)2 (H2 O)2","","- H4 N2 O10 U -","- H4 N2 O10 U -","- H16 N8 O40 U4 -","4","1","","Dalley, N.K.; Mueller, M.H.; Simonsen, S.H.","A Neutron Diffraction Study of Uranyl Nitrate Dihydrate","Inorganic Chemistry","1971","10","","323","328","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344273","7.637","","7.637","","21.61","","90","","90","","90","","1260.38","","","","","","","","","","","","","4","I -4 2 m","I -4 2","121","","(Pd (N O2) (N H3)3)2 (Pd (N H3)4) (N O3)4","","- H30 N16 O16 Pd3 -","- N16 O16 Pd3 -","- N32 O32 Pd6 -","2","0.125","","de Boer, F.P.; Carter, V.B.; Turley, J.W.","Single-Crystal X-Ray and Raman Studies of Bis(nitrotriamminepalladium(II)) Tetraamminepalladium(II) Tetranitrate","Inorganic Chemistry","1971","10","","651","661","","","","","","","","","","","","","","","","","","","","","","has coordinates","163775","2020-10-21","18:00:00",""
"4344295","23.042","","23.042","","23.042","","90","","90","","90","","12233.8","","","","","","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","(Cr (N H3)6) (Cu Br5)","","- Br5 Cr Cu H18 N6 -","- Br5 Cr Cu H18 N6 -","- Br160 Cr32 Cu32 H576 N192 -","32","0.166667","","Goldfield, S.A.; Raymond, K.N.","Axial bond length contraction in Cu X5 complexes. the structures of hexaamminechromium(III)pentabromocuprate(II) and hexaamminechromium(III)tribromodichlorocuprate(II)","Inorganic Chemistry","1971","10","","2604","2607","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344296","9.135","","4.471","","17.736","","90","","90","","90","","724.384","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba2 Mn Se3 -","- Ba2 Mn Se3 -","- Ba8 Mn4 Se12 -","4","0.5","","Grey, I.E.; Steinfink, H.","The crystal structure of Ba2 Mn Se3. Linear antiferromagnetism in Ba2 Mn X3 (X = S, Se)","Inorganic Chemistry","1971","10","","691","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4344297","8.814","","4.302","","17.048","","90","","90","","90","","646.423","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba2 Mn S3 -","- Ba2 Mn S3 -","- Ba8 Mn4 S12 -","4","0.5","","Grey, I.E.; Steinfink, H.","The crystal structure of Ba2 Mn Se3. Linear antiferromagnetism in Ba2 Mn X3 (X = S, Se)","Inorganic Chemistry","1971","10","","691","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4344298","25.49","","8.244","","14.949","","90","","118.852","","90","","2751.43","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Ba7 Fe6 S14 -","- Ba7 Fe6 S14 -","- Ba28 Fe24 S56 -","4","0.5","","Grey, I.E.; Hong, H.; Steinfink, H.","The Crystal Structure of Ba7 Fe6 S14, a Trinuclear Iron Complex","Inorganic Chemistry","1971","10","","340","343","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4344303","9.399","","16.343","","6.657","","90","","90","","90","","1022.57","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","P4 S3 I2","","- I2 P4 S3 -","- I2 P4 S3 -","- I8 P16 S12 -","4","0.5","","Hunt, G.W.; Cordes, A.W.","A New Isomer of Diiodotetraphosphorus Trisulfide. The Preparation and Crystal Structure of beta-P4 S3 I2","Inorganic Chemistry","1971","10","","1935","1937","","","","","","","","","","","","","","","","","","","","","","has coordinates","165593","2020-10-21","18:00:00",""
"4344305","3.343","","5.79","","7.84","","90","","90","","90","","151.751","","","","","","","","","","","","","2","C 2 2 2","C 2 2","21","","","","- Ho Sb2 -","- Ho Sb2 -","- Ho2 Sb4 -","2","0.25","","Johnson, Q.","The Crystal Structure of High-Pressure Synthesized Holmium Diantimonide","Inorganic Chemistry","1971","10","","2089","2090","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4344309","10.14","","11.68","","6.82","","90","","90","","90","","807.728","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Co (N O2)3 (N H3)3","","- Co H9 N6 O6 -","- Co H9 N6 O6 -","- Co4 H36 N24 O24 -","4","1","","Laing, M.; Baines, S.; Sommerville, P.","The Crystal Structure of Trinitrotriamminecobalt(III). A Redetermination","Inorganic Chemistry","1971","10","","1057","1061","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344330","17.598","","6.639","","16.112","","90","","94.99","","90","","1875.28","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Zn (N O3)2 (Hg (C N)2)2 (H2 O)7","","- C4 H14 Hg2 N6 O13 Zn -","- C4 Hg2 N6 O13 Zn -","- C16 Hg8 N24 O52 Zn4 -","4","0.5","","Mahon, C.","The Crystal Structure of Zinc Nitrate-2-Mercury(II) Cyanide-7-Water, Zn (N O3)2 (Hg (C N)2)2 (H2 O)7","Inorganic Chemistry","1971","10","","1813","1816","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344332","7.47","","7.597","","6.329","","105.37","","110.2","","114.63","","268.908","","","","","","","","","","","","","5","P -1","-P 1","2","","K3 (Re O2 (C N)4)","","- C4 K3 N4 O2 Re -","- C4 K3 N4 O2 Re -","- C4 K3 N4 O2 Re -","1","0.5","","Murmann, R.K.; Schlemper, E.O.","The Structure of Crystalline Potassium Dioxotetracyanothenium(V), K3 Re O2 (C N)4","Inorganic Chemistry","1971","10","","2352","2355","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344337","14.92","","10.67","","13.22","","90","","90","","90","","2104.58","","","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","Se8 (Al Cl4)2","","- Al2 Cl8 Se8 -","- Al2 Cl8 Se8 -","- Al8 Cl32 Se32 -","4","1","","McMillan, R.K.; Prince, D.J.; Corbett, J.D.","The Crystal Structure of Octaselenium(2+) Tetrachloroaluminate, Se8 (Al Cl4)2","Inorganic Chemistry","1971","10","","1749","1753","","","","","","","","","","","","","","","","","","","","","","has coordinates","166878","2020-10-21","18:00:00",""
"4344343","9.488","","12.494","","7.606","","90","","98.8","","90","","891.025","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Mn2 (Ru (C N)6) (H2 O)8","","- C6 H16 Mn2 N6 O8 Ru -","- C6 Mn2 N6 O8 Ru -","- C12 Mn4 N12 O16 Ru2 -","2","0.5","","Rueegg, M.; Rieder, K.; Ludi, A.","The crystal structure of manganese(II) hexacyanoruthenate(II) octahydrate, Mn2 (Ru (C N)6) (H2 O)8","Inorganic Chemistry","1971","10","","1775","1777","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344345","7.507","","7.507","","18.68","","90","","90","","120","","911.676","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cs3 Cr2 Br9","","- Br9 Cr2 Cs3 -","- Br9 Cr2 Cs3 -","- Br18 Cr4 Cs6 -","2","0.0833333","","Saillant, R.; Jackson, R.B.; Streib, W.E.; Folting, K.; Wentworth, R.A.D.","The Crystal Structures of Cs3 Cr2 Br9, Cs3 Mo2 Cl9 and Cs3 Mo2 Br9","Inorganic Chemistry","1971","10","","1453","1457","","","","","","","","","","","","","","","","","","","","","","has coordinates","167175","2020-10-21","18:00:00",""
"4344346","7.357","","7.357","","17.545","","90","","90","","120","","822.405","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cs3 (Cl3 (Mo Cl3)2)","","- Cl9 Cs3 Mo2 -","- Cl9 Cs3 Mo2 -","- Cl18 Cs6 Mo4 -","2","0.0833333","","Saillant, R.; Streib, W.E.; Jackson, R.B.; Folting, K.; Wentworth, R.A.D.","The crystal structures of Cs3 Cr2 Br9, Cs3 Mo2 Cl9 and Cs3 Mo2 Br9","Inorganic Chemistry","1971","10","","1453","1457","","","","","","","","","","","","","","","","","","","","","","has coordinates","167176","2020-10-21","18:00:00",""
"4344347","7.648","","7.648","","18.339","","90","","90","","120","","928.971","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cs3 (Br3 (Mo Br3)2)","","- Br9 Cs3 Mo2 -","- Br9 Cs3 Mo2 -","- Br18 Cs6 Mo4 -","2","0.0833333","","Saillant, R.; Jackson, R.B.; Folting, K.; Streib, W.E.; Wentworth, R.A.D.","The crystal structures of Cs3 Cr2 Br9, Cs3 Mo2 Cl9 and Cs3 Mo2 Br9","Inorganic Chemistry","1971","10","","1453","1457","","","","","","","","","","","","","","","","","","","","","","has coordinates","167177","2020-10-21","18:00:00",""
"4344352","14.778","","9.517","","11.267","","90","","130.21","","90","","1210.15","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","(Pt (N H3)4)2 (O (Re O (C N)4)2)","","- C8 H24 N16 O3 Pt2 Re2 -","- C8 H24 N16 O3 Pt2 Re2 -","- C16 H48 N32 O6 Pt4 Re4 -","2","0.25","","Shandles, R.; Schlemper, E. O.; Murmann, R. K.","The crystal and molecular structure of tetraammineplatinum(II) mue-oxo-bis(oxotetracyanorhenium(V))","Inorganic Chemistry","1971","10","","2785","2789","","","","","","","","","","","","","","","","","","","","","","has coordinates","189055","2020-10-21","18:00:00",""
"4344353","11.63","","11.63","","7.146","","90","","90","","90","","966.546","","","","","","","","","","","","","2","P 4/n :2","-P 4a","85","","Sr Br2","","- Br2 Sr -","- Br2 Sr -","- Br20 Sr10 -","10","1.25","","Smeggil, J.G.; Eick, H.A.","The crystal structure of strontium dibromide","Inorganic Chemistry","1971","10","","1458","1460","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344354","10.841","","10.841","","10.841","","90","","90","","90","","1274.11","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","(Ru (N H3)6) I2","","- H18 I2 N6 Ru -","- H18 I2 N6 Ru -","- H72 I8 N24 Ru4 -","4","0.0208333","","Stynes, H.C.; Ibers, J.A.","Effect of Metal-Ligand Bond Distances on Rates of Electron-Transfer Reactions. The Crystal Structures of Hexaammineruthenium(II) Iodide, (Ru (N H3)6) I2, and Hexaammineruthenium(III) Tetrafluoroborate, (Ru (N H3)6) (B F4)3","Inorganic Chemistry","1971","10","","2304","2308","","","","","","","","","","","","","","","","","","","","","","has coordinates","189055","2020-10-21","18:00:00",""
"4344355","11.385","","11.385","","11.385","","90","","90","","90","","1475.7","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","(Ru (N H3)6) (B F4)3","","- B3 F12 H18 N6 Ru -","- B3 F12 H18 N6 Ru -","- B12 F48 H72 N24 Ru4 -","4","0.0208333","","Stynes, H. C.; Ibers, J. A.","Effect of Metal-Ligand Bond Distances on Rates of Electron-Transfer Reactions. The Crystal Structures of Hexaammineruthenium(II) Iodide, (Ru (N H3)6) I2 and Hexaammineruthenium(III) Tetrafluoroborate, (Ru (N H3)6) (B F4)3","Inorganic Chemistry","1971","10","","2304","2308","","","","","","","","","","","","","","","","","","","","","","has coordinates","189055","2020-10-21","18:00:00",""
"4344356","12.346","","7.084","","12.378","","90","","110.2","","90","","1015.98","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Ge Cd4 S6","","- Cd4 Ge S6 -","- Cd4 Ge S6 -","- Cd16 Ge4 S24 -","4","1","","Susa, K.; Steinfink, H.","Ge Cd4 S6, a new defect tetrahedral structure type","Inorganic Chemistry","1971","10","","1754","1756","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344357","19.92","","19.92","","19.92","","90","","90","","90","","7904.38","","","","","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","H2 (Ta6 Cl18) (H2 O)6","","- Cl18 Ta6 -","- Cl18 Ta6 -","- Cl144 Ta48 -","8","0.0416667","","Thaxton, C.B.; Jacobson, R.A.","The Crystal Structure of H2 (Ta6 Cl18) (H2 O)6","Inorganic Chemistry","1971","10","","1460","1463","","","","","","","","","","","","","","","","","","","","","","has coordinates","168203","2020-10-21","18:00:00",""
"4344370","17.359","","12.187","","13.936","","90","","90","","90","","2948.22","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","((N H3)5 Co C N Co (C N)5) H2 O","","- C6 H17 Co2 N11 O -","- C6 H17 Co2 N11 O -","- C48 H136 Co16 N88 O8 -","8","1","","Wang, B.C.; Schaefer, W.P.; Marsh, R.E.","The Crystal Structure of Pentacyanocobalt(III)-mue-cyano-pentaamminecobalt(III) Monohydrate","Inorganic Chemistry","1971","10","","1492","1497","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344372","4.351","","4.351","","6.622","","90","","90","","120","","108.567","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Ir Si3 -","- Ir Si3 -","- Ir2 Si6 -","2","0.166667","","White, J.G.; Hockings, E.F.","Crystal Structure of Iridium Trisilicide, Ir Si3","Inorganic Chemistry","1971","10","","1934","1935","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4350820","11.9718","0.0003","6.8227","0.0002","16.7881","0.0004","90","","93.46","0.001","90","","1368.75","0.06","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","heptakis(aqua)-(1,3,4,6,7,9,9b-heptaazaphenalene-2,5,8-triolato)-neodymium(iii)","","- C6 H14 N7 Nd O10 -","- C6 H14 N7 Nd O10 -","- C24 H56 N28 Nd4 O40 -","4","1","","Mohamed Essalhi; Midhun Mohan; Nour Dissem; Najmedinne Ferhi; Adela Abidi; Thierry Maris; Adam Duong","Two different pore architectures of cyamelurate-based metal-organic frameworks for highly selective CO2 capture under ambient conditions","Inorganic Chemistry Frontiers","2023","10","","1037","1048","10.1039/d2qi02208g","","x-ray","1.54178","CuKα","","0.0229","0.0227","","","0.0606","0.0607","","","","","","1.051","","","","has coordinates,has Fobs","287834","2023-11-28","18:29:48",""
"4350821","11.4684","0.0003","12.9539","0.0003","20.1278","0.0005","90","","90","","90","","2990.2","0.13","100","","100","","","","","","","","","5","C 2 2 21","C 2c 2","20","","catena-[bis(μ-1,3,4,6,7,9,9b-heptaazaphenalene-2,5,8-triolato) -tetrakis(aqua)-neodymium(iii) tetrahydrate]","","- C6 H8 N7 Nd O7 -","- C6 H8 N7 Nd O7 -","- C48 H64 N56 Nd8 O56 -","8","1","","Mohamed Essalhi; Midhun Mohan; Nour Dissem; Najmedinne Ferhi; Adela Abidi; Thierry Maris; Adam Duong","Two different pore architectures of cyamelurate-based metal-organic frameworks for highly selective CO2 capture under ambient conditions","Inorganic Chemistry Frontiers","2023","10","","1037","1048","10.1039/d2qi02208g","","x-ray","1.54178","CuKα","","0.0452","0.045","","","0.1077","0.108","","","","","","1.138","","","","has coordinates,has disorder,has Fobs","287835","2023-11-28","18:30:03",""
"4350822","8.6409","0.0002","8.6409","0.0002","20.1002","0.0006","90","","90","","90","","1500.78","0.07","100","","100","","","","","","","","","5","P 41 2 2","P 4w 2c","91","","catena-[(μ-1,3,4,6,7,9,9b-heptaazaphenalene-2,5,8-triolato) -diaqua-neodymium(iii) N,N-dimethylformamide solvate]","","- C6 H4 N7 Nd O5 -","- C6 H4 N7 Nd O5 -","- C24 H16 N28 Nd4 O20 -","4","0.5","","Mohamed Essalhi; Midhun Mohan; Nour Dissem; Najmedinne Ferhi; Adela Abidi; Thierry Maris; Adam Duong","Two different pore architectures of cyamelurate-based metal-organic frameworks for highly selective CO2 capture under ambient conditions","Inorganic Chemistry Frontiers","2023","10","","1037","1048","10.1039/d2qi02208g","","x-ray","1.54178","CuKα","","0.0466","0.0465","","","0.1321","0.1321","","","","","","1.062","","","","has coordinates,has Fobs","287836","2023-11-28","18:30:14",""
"4500031","11.1336","0.0002","8.8786","0.0001","11.5617","0.0002","90","","95.395","0.001","90","","1137.82","0.03","100","","100","","","","","","","","Synthesized by the authors. See text","2","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 -","- C32 H26 -","- C64 H52 -","2","0.5","","Gagnon, Eric; Maris, Thierry; Arseneault, Pierre-Marc; Maly, Kenneth E.; Wuest,James D","Structural Features in Crystals of Derivatives of Benzene with Multiple Contiguous Phenyl Substituents","Cryst. Growth & Design","2010","10","","648","657","10.1021/cg9010746","","","1.54178","CuKα","","0.0379","0.0376","","","0.1005","0.1007","","","","","","1.085","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500032","38.2531","0.0007","11.7127","0.0002","24.218","0.0004","90","","90","","90","","10850.8","0.3","150","","150","","","","","","","","Synthesized by the authors. See text","2","P b c n","-P 2n 2ab","60","","","","- C77 H59 -","- C77 H59 -","- C616 H472 -","8","1","","Gagnon, Eric; Maris, Thierry; Arseneault, Pierre-Marc; Maly, Kenneth E.; Wuest,James D","Structural Features in Crystals of Derivatives of Benzene with Multiple Contiguous Phenyl Substituents","Cryst. Growth & Design","2010","10","","648","657","10.1021/cg9010746","","","1.54178","CuKα","","0.0673","0.0472","","","0.1309","0.1398","","","","","","1.034","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500033","16.1583","0.0005","27.9471","0.0008","12.0443","0.0003","90","","90","","90","","5438.9","0.3","200","2","200","2","","","","","","","Synthesized by the authors. See text","2","P c c n","-P 2ab 2ac","56","","","","- C78 H54 -","- C78 H54 -","- C312 H216 -","4","0.5","","Gagnon, Eric; Maris, Thierry; Arseneault, Pierre-Marc; Maly, Kenneth E.; Wuest,James D","Structural Features in Crystals of Derivatives of Benzene with Multiple Contiguous Phenyl Substituents","Cryst. Growth & Design","2010","10","","648","657","10.1021/cg9010746","","","1.54178","CuKα","","0.0471","0.0455","","","0.1303","0.1333","","","","","","1.028","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500034","10.1713","0.0003","12.1167","0.0004","13.0185","0.0005","63.194","0.001","68.387","0.002","65.645","0.001","1271.35","0.08","100","","100","","","","","","","","Synthesized by the authors. See text","2","P -1","-P 1","2","","","","- C36 H26 -","- C36 H26 -","- C72 H52 -","2","1","","Gagnon, Eric; Maris, Thierry; Arseneault, Pierre-Marc; Maly, Kenneth E.; Wuest,James D","Structural Features in Crystals of Derivatives of Benzene with Multiple Contiguous Phenyl Substituents","Cryst. Growth & Design","2010","10","","648","657","10.1021/cg9010746","","","1.54178","CuKα","","0.0369","0.034","","","0.0944","0.0963","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500035","10.0353","0.0012","12.2584","0.0014","13.529","0.0015","65.724","0.005","71.255","0.005","79.74","0.006","1434.6","0.3","150","","150","","","","","","","","Synthesized by the authors. See text","2","P -1","-P 1","2","","","","- C39 H29 -","- C39 H29 -","- C78 H58 -","2","1","","Gagnon, Eric; Maris, Thierry; Arseneault, Pierre-Marc; Maly, Kenneth E.; Wuest,James D","Structural Features in Crystals of Derivatives of Benzene with Multiple Contiguous Phenyl Substituents","Cryst. Growth & Design","2010","10","","648","657","10.1021/cg9010746","","","1.54178","CuKα","","0.0492","0.0454","","","0.1309","0.136","","","","","","1.057","","","","has coordinates,has disorder","179531","2020-10-21","18:00:00",""
"4500036","5.853","0.0002","7.4229","0.0003","11.8341","0.0005","83.8","0.002","89.608","0.002","81.588","0.002","505.62","0.03","100","2","100","2","","","","","","","Synthesized by the authors. See text","2","P -1","-P 1","2","","","","- C30 H22 -","- C30 H22 -","- C30 H22 -","1","0.5","","Gagnon, Eric; Maris, Thierry; Arseneault, Pierre-Marc; Maly, Kenneth E.; Wuest,James D","Structural Features in Crystals of Derivatives of Benzene with Multiple Contiguous Phenyl Substituents","Cryst. Growth & Design","2010","10","","648","657","10.1021/cg9010746","","","1.54178","CuKα","","0.0418","0.0408","","","0.0981","0.0983","","","","","","1.039","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500037","5.8971","0.0001","23.7467","0.0004","7.4112","0.0001","90","","98.049","0.001","90","","1027.62","0.03","150","","150","","","","","","","","Synthesized by the authors. See text","2","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 -","- C30 H22 -","- C60 H44 -","2","0.5","","Gagnon, Eric; Maris, Thierry; Arseneault, Pierre-Marc; Maly, Kenneth E.; Wuest,James D","Structural Features in Crystals of Derivatives of Benzene with Multiple Contiguous Phenyl Substituents","Cryst. Growth & Design","2010","10","","648","657","10.1021/cg9010746","","","1.54178","CuKα","","0.0357","0.0342","","","0.0901","0.0915","","","","","","1.007","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500038","6.0881","0.0001","8.4119","0.0002","10.6561","0.0002","104.517","0.001","91.259","0.001","92.359","0.001","527.56","0.018","150","","150","","","","","","","","Synthesized by the authors. See text","2","P -1","-P 1","2","","","","- C30 H22 -","- C30 H22 -","- C30 H22 -","1","0.5","","Gagnon, Eric; Maris, Thierry; Arseneault, Pierre-Marc; Maly, Kenneth E.; Wuest,James D","Structural Features in Crystals of Derivatives of Benzene with Multiple Contiguous Phenyl Substituents","Cryst. Growth & Design","2010","10","","648","657","10.1021/cg9010746","","","1.54178","CuKα","","0.0432","0.0414","","","0.116","0.1184","","","","","","1.054","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4501475","7.7029","0.0002","9.7491","0.0003","11.4399","0.0003","102.298","0.001","91.496","0.001","105.462","0.001","805.86","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 N2 Nd O10 -","- C14 H15 N2 Nd O10 -","- C28 H30 N4 Nd2 O20 -","2","1","","Wang, Xiu-Jian; Cen, Zhong-Min; Ni, Qing-Ling; Jiang, Xuan-Feng; Lian, Heng-Chi; Gui, Liu-Cheng; Zuo, Hua-Hong; Wang, Zuo-Yuan","Synthesis Structures, and Properties of Functional 2-D Lanthanide Coordination Polymers [Ln2(dpa)2(C2O4)2(H2O)2]n(dpa = 2,2′-(2-methylbenzimidazolium-1,3-diyl)diacetate, C2O42−= oxalate, Ln = Nd, Eu, Gd, Tb)","Crystal Growth & Design","2010","10","7","2960","","10.1021/cg1000045","","","0.71073","MoKα","","0.0255","0.0248","","","0.0659","0.0663","","","","","","1.131","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501476","9.6455","0.0003","13.6371","0.0005","13.9511","0.0003","66.889","0.001","88.544","0.001","70.52","0.001","1579.38","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 Eu2 N4 O19 -","- C28 H28 Eu2 N4 O19 -","- C56 H56 Eu4 N8 O38 -","2","1","","Wang, Xiu-Jian; Cen, Zhong-Min; Ni, Qing-Ling; Jiang, Xuan-Feng; Lian, Heng-Chi; Gui, Liu-Cheng; Zuo, Hua-Hong; Wang, Zuo-Yuan","Synthesis Structures, and Properties of Functional 2-D Lanthanide Coordination Polymers [Ln2(dpa)2(C2O4)2(H2O)2]n(dpa = 2,2′-(2-methylbenzimidazolium-1,3-diyl)diacetate, C2O42−= oxalate, Ln = Nd, Eu, Gd, Tb)","Crystal Growth & Design","2010","10","7","2960","","10.1021/cg1000045","","","0.71073","MoKα","","0.038","0.037","","","0.1025","0.1035","","","","","","1.159","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501477","10.5037","0.0009","13.3325","0.0011","13.6089","0.0012","61.936","0.001","85.446","0.001","70.396","0.001","1577.2","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 Gd2 N4 O19 -","- C28 H28 Gd2 N4 O19 -","- C56 H56 Gd4 N8 O38 -","2","1","","Wang, Xiu-Jian; Cen, Zhong-Min; Ni, Qing-Ling; Jiang, Xuan-Feng; Lian, Heng-Chi; Gui, Liu-Cheng; Zuo, Hua-Hong; Wang, Zuo-Yuan","Synthesis Structures, and Properties of Functional 2-D Lanthanide Coordination Polymers [Ln2(dpa)2(C2O4)2(H2O)2]n(dpa = 2,2′-(2-methylbenzimidazolium-1,3-diyl)diacetate, C2O42−= oxalate, Ln = Nd, Eu, Gd, Tb)","Crystal Growth & Design","2010","10","7","2960","","10.1021/cg1000045","","","0.71073","MoKα","","0.0256","0.022","","","0.0649","0.0669","","","","","","1.106","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501478","10.5173","0.0002","13.2428","0.0003","13.615","0.0003","62.649","0.001","85.627","0.001","69.687","0.001","1571.64","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 N4 O19 Tb2 -","- C28 H28 N4 O19 Tb2 -","- C56 H56 N8 O38 Tb4 -","2","1","","Wang, Xiu-Jian; Cen, Zhong-Min; Ni, Qing-Ling; Jiang, Xuan-Feng; Lian, Heng-Chi; Gui, Liu-Cheng; Zuo, Hua-Hong; Wang, Zuo-Yuan","Synthesis Structures, and Properties of Functional 2-D Lanthanide Coordination Polymers [Ln2(dpa)2(C2O4)2(H2O)2]n(dpa = 2,2′-(2-methylbenzimidazolium-1,3-diyl)diacetate, C2O42−= oxalate, Ln = Nd, Eu, Gd, Tb)","Crystal Growth & Design","2010","10","7","2960","","10.1021/cg1000045","","","0.71073","MoKα","","0.0313","0.0303","","","0.0771","0.0802","","","","","","1.071","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501479","9.545","0.003","13.783","0.004","14.087","0.004","69.967","0.003","86.315","0.004","88.713","0.004","1737.5","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H82 Cl2 N12 O25 Zn3 -","- C60 H72 Cl2 N12 O25 Zn3 -","- C60 H72 Cl2 N12 O25 Zn3 -","1","0.5","","Farnum, Gregory A.; LaDuca, Robert L.","Zinc Tricarballylate Coordination Polymers with a Threaded-Loop Self-Penetrated Layer and Triply Interpenetrated 3,4-Connected Binodal Network Structures: Topological Control through Anion Inclusion","Crystal Growth & Design","2010","10","4","1897","","10.1021/cg100006a","","","0.71073","MoKα","","0.0677","0.0513","","","0.1361","0.1463","","","","","","1.028","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501480","8.3207","0.0006","13.112","0.001","13.4253","0.001","71.716","0.001","79.758","0.001","88.055","0.001","1368.23","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H74 N8 O24 Zn3 -","- C44 H74 N8 O24 Zn3 -","- C44 H74 N8 O24 Zn3 -","1","0.5","","Farnum, Gregory A.; LaDuca, Robert L.","Zinc Tricarballylate Coordination Polymers with a Threaded-Loop Self-Penetrated Layer and Triply Interpenetrated 3,4-Connected Binodal Network Structures: Topological Control through Anion Inclusion","Crystal Growth & Design","2010","10","4","1897","","10.1021/cg100006a","","","0.71073","MoKα","","0.0282","0.0266","","","0.0697","0.0704","","","","","","1.067","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501481","10.793","0.002","22.999","0.005","12.253","0.003","90","","99.139","0.005","90","","3002.9","1.1","293","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 N4 O6 Zn -","- C24 H32 N4 O6 Zn -","- C96 H128 N16 O24 Zn4 -","4","1","","Liang, Xiao-Qiang; Li, Dong-Ping; Li, Cheng-Hui; Zhou, Xin-Hui; Li, Yi-Zhi; Zuo, Jing-Lin; You, Xiao-Zeng","Syntheses, Structures, and Physical Properties of Camphorate Coordination Polymers Controlled by Semirigid Auxiliary Ligands with Variable Coordination Positions and Conformations","Crystal Growth & Design","2010","10","6","2596","","10.1021/cg1000107","","","0.71073","MoKα","","0.0884","0.058","","","0.1072","0.1122","","","","","","1.024","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501482","14.76","0.005","10.497","0.004","15.085","0.005","90","","90","","90","","2337.2","1.4","291","2","291","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H28 N4 O4 Zn -","- C24 H28 N4 O4 Zn -","- C96 H112 N16 O16 Zn4 -","4","1","","Liang, Xiao-Qiang; Li, Dong-Ping; Li, Cheng-Hui; Zhou, Xin-Hui; Li, Yi-Zhi; Zuo, Jing-Lin; You, Xiao-Zeng","Syntheses, Structures, and Physical Properties of Camphorate Coordination Polymers Controlled by Semirigid Auxiliary Ligands with Variable Coordination Positions and Conformations","Crystal Growth & Design","2010","10","6","2596","","10.1021/cg1000107","","","0.71073","MoKα","","0.057","0.0524","","","0.1141","0.1148","","","","","","1.063","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501483","14.466","0.004","10.691","0.003","15.601","0.004","90","","90","","90","","2412.8","1.1","291","2","291","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H28 Cd N4 O4 -","- C24 H28 Cd N4 O4 -","- C96 H112 Cd4 N16 O16 -","4","1","","Liang, Xiao-Qiang; Li, Dong-Ping; Li, Cheng-Hui; Zhou, Xin-Hui; Li, Yi-Zhi; Zuo, Jing-Lin; You, Xiao-Zeng","Syntheses, Structures, and Physical Properties of Camphorate Coordination Polymers Controlled by Semirigid Auxiliary Ligands with Variable Coordination Positions and Conformations","Crystal Growth & Design","2010","10","6","2596","","10.1021/cg1000107","","","0.71073","MoKα","","0.072","0.054","","","0.1065","0.1107","","","","","","1.001","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501484","6.6272","0.0006","17.3245","0.0017","9.9414","0.0009","90","","97.338","0.001","90","","1132.05","0.18","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H28 N4 O4 Zn -","- C24 H28 N4 O4 Zn -","- C48 H56 N8 O8 Zn2 -","2","1","","Liang, Xiao-Qiang; Li, Dong-Ping; Li, Cheng-Hui; Zhou, Xin-Hui; Li, Yi-Zhi; Zuo, Jing-Lin; You, Xiao-Zeng","Syntheses, Structures, and Physical Properties of Camphorate Coordination Polymers Controlled by Semirigid Auxiliary Ligands with Variable Coordination Positions and Conformations","Crystal Growth & Design","2010","10","6","2596","","10.1021/cg1000107","","","0.71073","MoKα","","0.0633","0.0544","","","0.1157","0.1176","","","","","","1.068","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501485","18.8555","0.0015","31.189","0.002","12.0975","0.0015","90","","90","","90","","7114.3","1.1","291","2","291","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C30 H40 Cd2 N2 O11 S -","- C30 H40 Cd2 N2 O11 S -","- C240 H320 Cd16 N16 O88 S8 -","8","1","","Liang, Xiao-Qiang; Li, Dong-Ping; Li, Cheng-Hui; Zhou, Xin-Hui; Li, Yi-Zhi; Zuo, Jing-Lin; You, Xiao-Zeng","Syntheses, Structures, and Physical Properties of Camphorate Coordination Polymers Controlled by Semirigid Auxiliary Ligands with Variable Coordination Positions and Conformations","Crystal Growth & Design","2010","10","6","2596","","10.1021/cg1000107","","","0.71073","MoKα","","0.0763","0.0568","","","0.1274","0.1314","","","","","","1.015","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501486","10.0245","0.0004","10.8912","0.0004","20.7145","0.0008","90","","90","","90","","2261.58","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Zn2IDSbipy","","","- C18 H15 N3 O8 Zn2 -","- C18 H15 N3 O8 Zn2 -","- C72 H60 N12 O32 Zn8 -","4","1","","Gould, Jamie A.; Bacsa, John; Park, Hyunsoo; Claridge, John B.; Fogg, Andrew M.; Ramanathan, Vaidhyanathan; Warren, John E.; Rosseinsky, Matthew J.","Nanoporous Amino Acid Derived Material Formed via In-Situ Dimerization of Aspartic Acid","Crystal Growth & Design","2010","10","7","2977","","10.1021/cg100011a","","","0.671","synchrotron","","0.1164","0.1079","","","0.2707","0.2832","","","","","","1.087","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501487","7.0236","0.0005","18.4311","0.0012","10.5097","0.0007","90","","102.255","0.002","90","","1329.51","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H34 N4 O10 Pu -","- C20 H34 N4 O10 Pu -","- C40 H68 N8 O20 Pu2 -","2","0.5","","Kim, Seong-Yun; Takao, Koichiro; Haga, Yoshinori; Yamamoto, Etsuji; Kawata, Yoshihisa; Morita, Yasuji; Nishimura, Kenji; Ikeda, Yasuhisa","Molecular and Crystal Structures of Plutonyl(VI) Nitrate Complexes withN-Alkylated 2-Pyrrolidone Derivatives: Cocrystallization Potentiality of UVIand PuVI","Crystal Growth & Design","2010","10","5","2033","","10.1021/cg100015t","","","0.71073","MoKα","","0.0635","0.0443","","","0.0791","0.0852","","","","","","1.201","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501488","9.8161","0.0003","10.3389","0.0003","14.5174","0.0004","100.204","0.001","98.402","0.001","112.979","0.001","1296.74","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H34 N4 O10 Pu -","- C18 H30 N4 O10 Pu -","- C36 H60 N8 O20 Pu2 -","2","1","","Kim, Seong-Yun; Takao, Koichiro; Haga, Yoshinori; Yamamoto, Etsuji; Kawata, Yoshihisa; Morita, Yasuji; Nishimura, Kenji; Ikeda, Yasuhisa","Molecular and Crystal Structures of Plutonyl(VI) Nitrate Complexes withN-Alkylated 2-Pyrrolidone Derivatives: Cocrystallization Potentiality of UVIand PuVI","Crystal Growth & Design","2010","10","5","2033","","10.1021/cg100015t","","","0.71073","MoKα","","0.041","0.0366","","","0.0843","0.0907","","","","","","1.023","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501489","21.256","0.003","21.256","0.003","15.112","0.003","90","","90","","90","","6827.9","1.9","200","","200","","","","","","","","","6","I -4 c 2","I -4 -2c","120","","[Zn(F1)2(H2O)](ClO4)2","","- C30 H26 Cl2 N12 O9 Zn -","- C30 H26 Cl2 N12 O9 Zn -","- C240 H208 Cl16 N96 O72 Zn8 -","8","0.5","","Su, Zhi; Fan, Jian; Okamura, Taka-aki; Chen, Man-Sheng; Chen, Shui-Sheng; Sun, Wei-Yin; Ueyama, Norikazu","Interpenetrating and Self-Penetrating Zinc(II) Complexes with Rigid Tripodal Imidazole-Containing Ligand and Benzenedicarboxylate","Crystal Growth & Design","2010","10","4","1911","","10.1021/cg100020t","","","0.71075","MoKα","","0.0458","0.038","","","0.0891","0.0934","","","","","","1.034","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501490","8.715","0.0008","11.6095","0.001","27.89","0.003","90","","93.091","0.002","90","","2817.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H46 N12 O18 Zn4 -","- C54 H38 N12 O18 Zn4 -","- C108 H76 N24 O36 Zn8 -","2","0.5","","Su, Zhi; Fan, Jian; Okamura, Taka-aki; Chen, Man-Sheng; Chen, Shui-Sheng; Sun, Wei-Yin; Ueyama, Norikazu","Interpenetrating and Self-Penetrating Zinc(II) Complexes with Rigid Tripodal Imidazole-Containing Ligand and Benzenedicarboxylate","Crystal Growth & Design","2010","10","4","1911","","10.1021/cg100020t","","","0.71073","MoKα","","0.0729","0.0488","","","0.1009","0.1082","","","","","","0.975","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501491","10.141","0.004","16.865","0.007","14.646","0.006","90","","90","0.001","90","","2504.9","1.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 Cl N6 O8 Zn -","- C23 H17 Cl N6 O8 Zn -","- C92 H68 Cl4 N24 O32 Zn4 -","4","1","","Su, Zhi; Fan, Jian; Okamura, Taka-aki; Chen, Man-Sheng; Chen, Shui-Sheng; Sun, Wei-Yin; Ueyama, Norikazu","Interpenetrating and Self-Penetrating Zinc(II) Complexes with Rigid Tripodal Imidazole-Containing Ligand and Benzenedicarboxylate","Crystal Growth & Design","2010","10","4","1911","","10.1021/cg100020t","","","0.71073","MoKα","","0.0629","0.0433","","","0.0975","0.1041","","","","","","0.926","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501492","7.3942","0.0008","9.0166","0.001","19.515","0.002","100.837","0.002","91.264","0.003","95.107","0.002","1271.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H20 Cl2 N6 O6 Zn2 -","- C23 H20 Cl2 N6 O6 Zn2 -","- C46 H40 Cl4 N12 O12 Zn4 -","2","1","","Su, Zhi; Fan, Jian; Okamura, Taka-aki; Chen, Man-Sheng; Chen, Shui-Sheng; Sun, Wei-Yin; Ueyama, Norikazu","Interpenetrating and Self-Penetrating Zinc(II) Complexes with Rigid Tripodal Imidazole-Containing Ligand and Benzenedicarboxylate","Crystal Growth & Design","2010","10","4","1911","","10.1021/cg100020t","","","0.71073","MoKα","","0.0457","0.0388","","","0.0958","0.0994","","","","","","0.954","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501493","8.8946","0.0009","12.3328","0.0012","12.5363","0.0012","96.534","0.003","100.71","0.002","100.592","0.002","1312.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H18 Cl N6 O6 Zn2 -","- C27 H18 Cl N6 O6 Zn2 -","- C54 H36 Cl2 N12 O12 Zn4 -","2","1","","Su, Zhi; Fan, Jian; Okamura, Taka-aki; Chen, Man-Sheng; Chen, Shui-Sheng; Sun, Wei-Yin; Ueyama, Norikazu","Interpenetrating and Self-Penetrating Zinc(II) Complexes with Rigid Tripodal Imidazole-Containing Ligand and Benzenedicarboxylate","Crystal Growth & Design","2010","10","4","1911","","10.1021/cg100020t","","","0.71073","MoKα","","0.0392","0.0347","","","0.0909","0.0931","","","","","","0.998","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501494","15.9995","0.0018","14.8698","0.0016","16.0733","0.0018","90","","90","","90","","3824","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H16 N7 O6 Zn -","- C19 H16 N7 O6 Zn -","- C152 H128 N56 O48 Zn8 -","8","1","","Su, Zhi; Fan, Jian; Okamura, Taka-aki; Chen, Man-Sheng; Chen, Shui-Sheng; Sun, Wei-Yin; Ueyama, Norikazu","Interpenetrating and Self-Penetrating Zinc(II) Complexes with Rigid Tripodal Imidazole-Containing Ligand and Benzenedicarboxylate","Crystal Growth & Design","2010","10","4","1911","","10.1021/cg100020t","","","0.71073","MoKα","","0.049","0.0435","","","0.1088","0.1119","","","","","","1.053","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501495","9.9056","0.0014","7.662","0.0011","36.857","0.005","90","0.003","96.245","0.002","90","","2780.7","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 I2 N6 O6 Zn2 -","- C23 H16 I2 N6 O6 Zn2 -","- C92 H64 I8 N24 O24 Zn8 -","4","1","","Su, Zhi; Fan, Jian; Okamura, Taka-aki; Chen, Man-Sheng; Chen, Shui-Sheng; Sun, Wei-Yin; Ueyama, Norikazu","Interpenetrating and Self-Penetrating Zinc(II) Complexes with Rigid Tripodal Imidazole-Containing Ligand and Benzenedicarboxylate","Crystal Growth & Design","2010","10","4","1911","","10.1021/cg100020t","","","0.71073","MoKα","","0.0648","0.054","","","0.1315","0.1382","","","","","","1.001","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501496","11.5359","0.0001","11.9994","0.0005","12.7841","0.0002","85.774","0.007","69.384","0.005","84.189","0.007","1646.41","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H48 Eu2 N6 O30 -","- C60 H48 Eu2 N6 O30 -","- C60 H48 Eu2 N6 O30 -","1","0.5","","Feng, Rui; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Yan, Chun-Feng; Hong, Mao-Chun","Structures and Photoluminescent Properties of the Lanthanide Coordination Complexes with Hydroxyquinoline Carboxylate Ligands","Crystal Growth & Design","2010","10","5","2306","","10.1021/cg100026d","","","0.71073","MoKα","","0.0371","0.0345","","","0.0842","0.0872","","","","","","1.086","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501497","9.919","0.003","11.466","0.003","15.009","0.004","106.855","0.002","94.907","0.003","96.179","0.002","1611.9","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H54 Eu2 N8 O24 -","- C66 H54 Eu2 N8 O24 -","- C66 H54 Eu2 N8 O24 -","1","0.5","","Feng, Rui; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Yan, Chun-Feng; Hong, Mao-Chun","Structures and Photoluminescent Properties of the Lanthanide Coordination Complexes with Hydroxyquinoline Carboxylate Ligands","Crystal Growth & Design","2010","10","5","2306","","10.1021/cg100026d","","","0.71073","MoKα","","0.0346","0.0324","","","0.0777","0.0797","","","","","","1.092","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501498","9.9629","0.001","11.4065","0.0014","14.9499","0.0017","106.516","0.005","94.937","0.004","96.119","0.005","1607.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H54 Dy2 N8 O24 -","- C66 H54 Dy2 N8 O24 -","- C66 H54 Dy2 N8 O24 -","1","0.5","","Feng, Rui; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Yan, Chun-Feng; Hong, Mao-Chun","Structures and Photoluminescent Properties of the Lanthanide Coordination Complexes with Hydroxyquinoline Carboxylate Ligands","Crystal Growth & Design","2010","10","5","2306","","10.1021/cg100026d","","","0.71073","MoKα","","0.0674","0.058","","","0.1253","0.1341","","","","","","1.067","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501499","9.973","0.004","11.374","0.005","14.909","0.007","106.384","0.004","94.957","0.004","96.095","0.006","1601.3","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H54 Ho2 N8 O24 -","- C66 H54 Ho2 N8 O24 -","- C66 H54 Ho2 N8 O24 -","1","0.5","","Feng, Rui; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Yan, Chun-Feng; Hong, Mao-Chun","Structures and Photoluminescent Properties of the Lanthanide Coordination Complexes with Hydroxyquinoline Carboxylate Ligands","Crystal Growth & Design","2010","10","5","2306","","10.1021/cg100026d","","","0.71073","MoKα","","0.061","0.0538","","","0.1215","0.1281","","","","","","1.102","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501500","11.4001","0.001","12.0778","0.0009","13.2042","0.0012","94.113","0.002","112.814","0.004","96.776","0.002","1650.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H62 Ce2 N8 O26 -","- C66 H62 Ce2 N8 O26 -","- C66 H62 Ce2 N8 O26 -","1","0.5","","Feng, Rui; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Yan, Chun-Feng; Hong, Mao-Chun","Structures and Photoluminescent Properties of the Lanthanide Coordination Complexes with Hydroxyquinoline Carboxylate Ligands","Crystal Growth & Design","2010","10","5","2306","","10.1021/cg100026d","","","0.71073","MoKα","","0.0344","0.0307","","","0.0619","0.0651","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501501","11.44","0.003","12.067","0.003","13.226","0.003","94.173","0.003","112.716","0.003","96.626","0.001","1659.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H62 La2 N8 O26 -","- C66 H62 La2 N8 O26 -","- C66 H62 La2 N8 O26 -","1","0.5","","Feng, Rui; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Yan, Chun-Feng; Hong, Mao-Chun","Structures and Photoluminescent Properties of the Lanthanide Coordination Complexes with Hydroxyquinoline Carboxylate Ligands","Crystal Growth & Design","2010","10","5","2306","","10.1021/cg100026d","","","0.71073","MoKα","","0.0195","0.0186","","","0.0439","0.0446","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501502","11.3823","0.0013","12.0883","0.001","13.1848","0.0013","94.054","0.002","112.888","0.004","97.006","0.004","1644.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H62 N8 O26 Pr2 -","- C66 H62 N8 O26 Pr2 -","- C66 H62 N8 O26 Pr2 -","1","0.5","","Feng, Rui; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Yan, Chun-Feng; Hong, Mao-Chun","Structures and Photoluminescent Properties of the Lanthanide Coordination Complexes with Hydroxyquinoline Carboxylate Ligands","Crystal Growth & Design","2010","10","5","2306","","10.1021/cg100026d","","","0.71073","MoKα","","0.0395","0.0346","","","0.0701","0.0739","","","","","","1.099","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501503","18.113","0.004","5.6189","0.0011","18.304","0.004","90","","107.29","0.03","90","","1778.7","0.7","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 Cu2 N6 S2 -","- C17 H12 Cu2 N6 S2 -","- C68 H48 Cu8 N24 S8 -","4","0.5","","Li, Ling-Ling; Yuan, Rong-Xin; Liu, Lei-Lei; Ren, Zhi-Gang; Zheng, Ai-Xia; Cheng, Hong-Jian; Li, Hong-Xi; Lang, Jian-Ping","Formation of [CuSCN]n-Based Topological Structures via a Family of Flexible Benzimidazolyl-Based Linkers with Different Spacer Lengths","Crystal Growth & Design","2010","10","4","1929","","10.1021/cg100028y","","","0.71073","MoKα","","0.0508","0.0356","","","0.0799","0.0856","","","","","","1.041","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501504","7.4725","0.0015","9.859","0.002","12.482","0.003","86.07","0.03","73.52","0.03","69.17","0.03","823.6","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14 Cu N5 S -","- C17 H14 Cu N5 S -","- C34 H28 Cu2 N10 S2 -","2","1","","Li, Ling-Ling; Yuan, Rong-Xin; Liu, Lei-Lei; Ren, Zhi-Gang; Zheng, Ai-Xia; Cheng, Hong-Jian; Li, Hong-Xi; Lang, Jian-Ping","Formation of [CuSCN]n-Based Topological Structures via a Family of Flexible Benzimidazolyl-Based Linkers with Different Spacer Lengths","Crystal Growth & Design","2010","10","4","1929","","10.1021/cg100028y","","","0.71073","MoKα","","0.0652","0.0499","","","0.135","0.1388","","","","","","1.003","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501505","5.8256","0.0012","17.294","0.004","20.57","0.004","90","","96.89","0.03","90","","2057.4","0.8","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 Cu2 N6 S2 -","- C19 H16 Cu2 N6 S2 -","- C76 H64 Cu8 N24 S8 -","4","1","","Li, Ling-Ling; Yuan, Rong-Xin; Liu, Lei-Lei; Ren, Zhi-Gang; Zheng, Ai-Xia; Cheng, Hong-Jian; Li, Hong-Xi; Lang, Jian-Ping","Formation of [CuSCN]n-Based Topological Structures via a Family of Flexible Benzimidazolyl-Based Linkers with Different Spacer Lengths","Crystal Growth & Design","2010","10","4","1929","","10.1021/cg100028y","","","0.71073","MoKα","","0.141","0.0775","","","0.2066","0.2646","","","","","","1.091","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501506","9.7226","0.0019","9.75","0.002","12.448","0.003","100.75","0.03","98.54","0.03","119.04","0.03","973.5","0.6","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 Cu N6 S -","- C20 H19 Cu N6 S -","- C40 H38 Cu2 N12 S2 -","2","1","","Li, Ling-Ling; Yuan, Rong-Xin; Liu, Lei-Lei; Ren, Zhi-Gang; Zheng, Ai-Xia; Cheng, Hong-Jian; Li, Hong-Xi; Lang, Jian-Ping","Formation of [CuSCN]n-Based Topological Structures via a Family of Flexible Benzimidazolyl-Based Linkers with Different Spacer Lengths","Crystal Growth & Design","2010","10","4","1929","","10.1021/cg100028y","","","0.71073","MoKα","","0.08","0.0501","","","0.1063","0.1193","","","","","","1","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501507","9.5176","0.0019","11.197","0.002","13.924","0.003","90.53","0.03","90.05","0.03","103.81","0.03","1440.9","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H27 Cu2 N8 S2 -","- C29 H27 Cu2 N8 S2 -","- C58 H54 Cu4 N16 S4 -","2","1","","Li, Ling-Ling; Yuan, Rong-Xin; Liu, Lei-Lei; Ren, Zhi-Gang; Zheng, Ai-Xia; Cheng, Hong-Jian; Li, Hong-Xi; Lang, Jian-Ping","Formation of [CuSCN]n-Based Topological Structures via a Family of Flexible Benzimidazolyl-Based Linkers with Different Spacer Lengths","Crystal Growth & Design","2010","10","4","1929","","10.1021/cg100028y","","","0.71073","MoKα","","0.1224","0.0855","","","0.1487","0.1661","","","","","","1.186","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501508","10.24","0.002","10.55","0.002","11.05","0.002","108.71","0.03","102.75","0.03","93.47","0.03","1091.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 Cu2 N6 S2 -","- C21 H20 Cu2 N6 S2 -","- C42 H40 Cu4 N12 S4 -","2","1","","Li, Ling-Ling; Yuan, Rong-Xin; Liu, Lei-Lei; Ren, Zhi-Gang; Zheng, Ai-Xia; Cheng, Hong-Jian; Li, Hong-Xi; Lang, Jian-Ping","Formation of [CuSCN]n-Based Topological Structures via a Family of Flexible Benzimidazolyl-Based Linkers with Different Spacer Lengths","Crystal Growth & Design","2010","10","4","1929","","10.1021/cg100028y","","","0.71073","MoKα","","0.0657","0.0453","","","0.1066","0.1218","","","","","","1","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501509","5.7858","0.0012","18.804","0.004","10.748","0.002","90","","99.4","0.03","90","","1153.6","0.4","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Cu N3 S -","- C11 H11 Cu N3 S -","- C44 H44 Cu4 N12 S4 -","4","1","","Li, Ling-Ling; Yuan, Rong-Xin; Liu, Lei-Lei; Ren, Zhi-Gang; Zheng, Ai-Xia; Cheng, Hong-Jian; Li, Hong-Xi; Lang, Jian-Ping","Formation of [CuSCN]n-Based Topological Structures via a Family of Flexible Benzimidazolyl-Based Linkers with Different Spacer Lengths","Crystal Growth & Design","2010","10","4","1929","","10.1021/cg100028y","","","0.71073","MoKα","","0.1217","0.0686","","","0.1153","0.1363","","","","","","1.019","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501510","16.9135","0.0007","10.3252","0.0004","14.3606","0.0007","90","","98.519","0.004","90","","2480.2","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 N8 O10 S2 Zn2 -","- C17 H24 N8 O10 S2 Zn2 -","- C68 H96 N32 O40 S8 Zn8 -","4","1","","Bai, Hong-Ye; Ma, Jian-Fang; Yang, Jin; Zhang, Lai-Ping; Ma, Ji-Cheng; Liu, Ying-Ying","Eight Two-Dimensional and Three-Dimensional Metal−Organic Frameworks Based on a Flexible Tetrakis(imidazole) Ligand: Synthesis, Topological Structures, and Photoluminescent Properties","Crystal Growth & Design","2010","10","4","1946","","10.1021/cg100032n","","","0.71073","MoKα","","0.0915","0.0367","","","0.0442","0.0495","","","","","","0.712","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501511","9.615","0.002","18.555","0.003","11.988","0.003","90","","108.24","0.02","90","","2031.3","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H22.5 Co N8 O5.25 S -","- C17 H22.5 Co N8 O5.25 S -","- C68 H90 Co4 N32 O21 S4 -","4","1","","Bai, Hong-Ye; Ma, Jian-Fang; Yang, Jin; Zhang, Lai-Ping; Ma, Ji-Cheng; Liu, Ying-Ying","Eight Two-Dimensional and Three-Dimensional Metal−Organic Frameworks Based on a Flexible Tetrakis(imidazole) Ligand: Synthesis, Topological Structures, and Photoluminescent Properties","Crystal Growth & Design","2010","10","4","1946","","10.1021/cg100032n","","","0.71073","MoKα","","0.0611","0.0391","","","0.089","0.0951","","","","","","0.938","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501512","19.475","0.005","10.366","0.005","34.917","0.005","90","","93.941","0.005","90","","7032","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H35 N8 O11.5 Zn2 -","- C33 H30 N8 O11.5 Zn2 -","- C264 H240 N64 O92 Zn16 -","8","1","","Bai, Hong-Ye; Ma, Jian-Fang; Yang, Jin; Zhang, Lai-Ping; Ma, Ji-Cheng; Liu, Ying-Ying","Eight Two-Dimensional and Three-Dimensional Metal−Organic Frameworks Based on a Flexible Tetrakis(imidazole) Ligand: Synthesis, Topological Structures, and Photoluminescent Properties","Crystal Growth & Design","2010","10","4","1946","","10.1021/cg100032n","","","0.71073","MoKα","","0.0845","0.0699","","","0.1917","0.206","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501513","19.5199","0.001","10.3113","0.0004","34.7941","0.0016","90","","92.84","0.05","90","","6994.6","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H33 Co2 N8 O10.5 -","- C33 H31 Co2 N8 O10.5 -","- C264 H248 Co16 N64 O84 -","8","1","","Bai, Hong-Ye; Ma, Jian-Fang; Yang, Jin; Zhang, Lai-Ping; Ma, Ji-Cheng; Liu, Ying-Ying","Eight Two-Dimensional and Three-Dimensional Metal−Organic Frameworks Based on a Flexible Tetrakis(imidazole) Ligand: Synthesis, Topological Structures, and Photoluminescent Properties","Crystal Growth & Design","2010","10","4","1946","","10.1021/cg100032n","","","0.71073","MoKα","","0.1063","0.0488","","","0.1085","0.1207","","","","","","0.882","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501514","44.844","0.003","11.1049","0.0006","16.3434","0.0008","90","","94.167","0.005","90","","8117.3","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H38 N8 O17 Zn2 -","- C35 H38 N8 O17 Zn2 -","- C280 H304 N64 O136 Zn16 -","8","1","","Bai, Hong-Ye; Ma, Jian-Fang; Yang, Jin; Zhang, Lai-Ping; Ma, Ji-Cheng; Liu, Ying-Ying","Eight Two-Dimensional and Three-Dimensional Metal−Organic Frameworks Based on a Flexible Tetrakis(imidazole) Ligand: Synthesis, Topological Structures, and Photoluminescent Properties","Crystal Growth & Design","2010","10","4","1946","","10.1021/cg100032n","","","0.71073","MoKα","","0.1603","0.0475","","","0.0564","0.0659","","","","","","0.745","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501515","7.7765","0.0012","12.553","0.002","14.8021","0.0019","66.141","0.014","89.714","0.012","73.046","0.014","1253.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H23 Co1.5 N8 O6 -","- C26 H23 Co1.5 N8 O6 -","- C52 H46 Co3 N16 O12 -","2","1","","Bai, Hong-Ye; Ma, Jian-Fang; Yang, Jin; Zhang, Lai-Ping; Ma, Ji-Cheng; Liu, Ying-Ying","Eight Two-Dimensional and Three-Dimensional Metal−Organic Frameworks Based on a Flexible Tetrakis(imidazole) Ligand: Synthesis, Topological Structures, and Photoluminescent Properties","Crystal Growth & Design","2010","10","4","1946","","10.1021/cg100032n","","","1.54184","CuKα","","0.0601","0.0473","","","0.119","0.1261","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501516","38.967","0.005","8.985","0.005","19.114","0.005","90","0.005","92.438","0.005","90","0.005","6686","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H30 N8 O12 Zn2 -","- C27 H23 N8 O12 Zn2 -","- C216 H184 N64 O96 Zn16 -","8","1","","Bai, Hong-Ye; Ma, Jian-Fang; Yang, Jin; Zhang, Lai-Ping; Ma, Ji-Cheng; Liu, Ying-Ying","Eight Two-Dimensional and Three-Dimensional Metal−Organic Frameworks Based on a Flexible Tetrakis(imidazole) Ligand: Synthesis, Topological Structures, and Photoluminescent Properties","Crystal Growth & Design","2010","10","4","1946","","10.1021/cg100032n","","","1.54184","CuKα","","0.0948","0.0572","","","0.1514","0.1831","","","","","","0.986","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501517","17.532","0.005","12.212","0.005","27.703","0.005","90","0.005","101.918","0.005","90","0.005","5803","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H31 Co N8 O11.5 -","- C27 H31 Co N8 O11.5 -","- C216 H248 Co8 N64 O92 -","8","1","","Bai, Hong-Ye; Ma, Jian-Fang; Yang, Jin; Zhang, Lai-Ping; Ma, Ji-Cheng; Liu, Ying-Ying","Eight Two-Dimensional and Three-Dimensional Metal−Organic Frameworks Based on a Flexible Tetrakis(imidazole) Ligand: Synthesis, Topological Structures, and Photoluminescent Properties","Crystal Growth & Design","2010","10","4","1946","","10.1021/cg100032n","","","1.54184","CuKα","","0.0616","0.042","","","0.0954","0.1025","","","","","","0.931","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501518","13.7784","0.0002","13.7784","0.0002","13.7784","0.0002","90","","90","","90","","2615.75","0.07","296","2","296","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C24 H16 Li2 O14 Sn2 -","- C24 H16 Li2 O14 Sn2 -","- C96 H63.9998 Li8 O56 Sn8 -","4","0.166667","","Wang, Xiqu; Liu, Lumei; Makarenko, Tatyana; Jacobson, Allan J.","Acentric and Centric Interpenetrations of an Anionic Framework Mediated by Cation Sizes: The Alkali-Metal Tin(II) Benzenedicarboxylates A2Sn2(bdc)3(H2O)x(A = Li, Na, K, Rb, Cs)","Crystal Growth & Design","2010","10","4","1960","","10.1021/cg100049s","","","0.71073","MoKα","","0.0146","0.0145","","","0.0386","0.0387","","","","","","1.093","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501519","13.9033","0.0011","13.9033","0.0011","13.9033","0.0011","90","","90","","90","","2687.5","0.4","293","2","293","2","","","","","","","","5","P n -3 :2","-P 2ab 2bc 3","201","","","","- C24 H14 Na2 O13 Sn2 -","- C24 H12 Na2 O13 Sn2 -","- C96 H48 Na8 O52 Sn8 -","4","0.166667","","Wang, Xiqu; Liu, Lumei; Makarenko, Tatyana; Jacobson, Allan J.","Acentric and Centric Interpenetrations of an Anionic Framework Mediated by Cation Sizes: The Alkali-Metal Tin(II) Benzenedicarboxylates A2Sn2(bdc)3(H2O)x(A = Li, Na, K, Rb, Cs)","Crystal Growth & Design","2010","10","4","1960","","10.1021/cg100049s","","","0.71073","MoKα","","0.0425","0.0275","","","0.0607","0.0662","","","","","","1.06","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501520","13.956","0.002","13.956","0.002","13.956","0.002","90","","90","","90","","2718.2","0.7","296","2","296","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C24 H12 K2 O12 Sn2 -","- C24 H12 K2 O12 Sn2 -","- C96 H48 K8 O48 Sn8 -","4","0.166667","","Wang, Xiqu; Liu, Lumei; Makarenko, Tatyana; Jacobson, Allan J.","Acentric and Centric Interpenetrations of an Anionic Framework Mediated by Cation Sizes: The Alkali-Metal Tin(II) Benzenedicarboxylates A2Sn2(bdc)3(H2O)x(A = Li, Na, K, Rb, Cs)","Crystal Growth & Design","2010","10","4","1960","","10.1021/cg100049s","","","0.71073","MoKα","","0.0569","0.0381","","","0.0637","0.067","","","","","","1.039","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501521","13.9985","0.0003","13.9985","0.0003","13.9985","0.0003","90","","90","","90","","2743.12","0.1","296","2","296","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C24 H12 O12 Rb2 Sn2 -","- C24 H12 O12 Rb2 Sn2 -","- C96 H48 O48 Rb8 Sn8 -","4","0.166667","","Wang, Xiqu; Liu, Lumei; Makarenko, Tatyana; Jacobson, Allan J.","Acentric and Centric Interpenetrations of an Anionic Framework Mediated by Cation Sizes: The Alkali-Metal Tin(II) Benzenedicarboxylates A2Sn2(bdc)3(H2O)x(A = Li, Na, K, Rb, Cs)","Crystal Growth & Design","2010","10","4","1960","","10.1021/cg100049s","","","0.71073","MoKα","","0.025","0.0211","","","0.0469","0.0478","","","","","","1.028","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501522","14.0924","0.0003","14.0924","0.0003","14.0924","0.0003","90","","90","","90","","2798.69","0.1","296","2","293","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C24 H12 Cs2 O12 Sn2 -","- C24 H12 Cs2 O12 Sn2 -","- C96 H48 Cs8 O48 Sn8 -","4","0.166667","","Wang, Xiqu; Liu, Lumei; Makarenko, Tatyana; Jacobson, Allan J.","Acentric and Centric Interpenetrations of an Anionic Framework Mediated by Cation Sizes: The Alkali-Metal Tin(II) Benzenedicarboxylates A2Sn2(bdc)3(H2O)x(A = Li, Na, K, Rb, Cs)","Crystal Growth & Design","2010","10","4","1960","","10.1021/cg100049s","","","0.71073","MoKα","","0.0252","0.0218","","","0.0481","0.0491","","","","","","1.051","","","","has coordinates,has disorder","179546","2020-10-21","18:00:00",""
"4501523","15.097","0.003","32.092","0.006","14.403","0.003","90","","90","","90","","6978","2","293","2","293","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C80 H134 N40 Na6 O76 W12 -","- C80 H100 N40 Na6 O76 W12 -","- C160 H200 N80 Na12 O152 W24 -","2","0.25","","Lin, Jing-Xiang; Lü, Jian; Yang, Hong-Xun; Cao, Rong","Construction of Train-Like Supramolecular Structures from Decamethylcucurbit[5]uril and Iso- or Hetero-Keggin-Type Polyoxotungstates","Crystal Growth & Design","2010","10","4","1966","","10.1021/cg1000528","","","0.71073","MoKα","","0.0931","0.0885","","","0.2161","0.2233","","","","","","1.286","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501524","27.5763","0.0015","16.7925","0.0009","16.2791","0.001","90","","97.954","0.003","90","","7465.9","0.7","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C80 H154 N40 Na4 O87 Si W12 -","- C80 H100 N40 Na4 O87 Si W12 -","- C160 H200 N80 Na8 O174 Si2 W24 -","2","0.25","","Lin, Jing-Xiang; Lü, Jian; Yang, Hong-Xun; Cao, Rong","Construction of Train-Like Supramolecular Structures from Decamethylcucurbit[5]uril and Iso- or Hetero-Keggin-Type Polyoxotungstates","Crystal Growth & Design","2010","10","4","1966","","10.1021/cg1000528","","","0.71073","MoKα","","0.0828","0.0749","","","0.2077","0.2143","","","","","","1.121","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501525","15.194","0.003","32.016","0.006","14.397","0.003","90","","90","","90","","7003","2","293","2","293","2","","","","","","","","7","P m m n :2","-P 2ab 2a","59","","","","- C80 H140 N40 Na4 O80 Si W12 -","- C80 H100 N40 Na4 O80 Si W12 -","- C160 H200 N80 Na8 O160 Si2 W24 -","2","0.25","","Lin, Jing-Xiang; Lü, Jian; Yang, Hong-Xun; Cao, Rong","Construction of Train-Like Supramolecular Structures from Decamethylcucurbit[5]uril and Iso- or Hetero-Keggin-Type Polyoxotungstates","Crystal Growth & Design","2010","10","4","1966","","10.1021/cg1000528","","","0.71073","MoKα","","0.0583","0.0541","","","0.1448","0.1479","","","","","","1.127","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501526","34.815","0.003","10.6357","0.0007","21.0327","0.0014","90","","99.485","0.002","90","","7681.6","1","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 Cu3 F6 N9 O7.5 S2 -","- C26 H26 Cu3 F6 N9 O7.5 S2 -","- C208 H208 Cu24 F48 N72 O60 S16 -","8","1","","Rivera-Carrillo, Marlyn; Chakraborty, Indranil; Raptis, Raphael G.","Systematic Synthesis of a Metal Organic Framework Based on Triangular Cu3(μ3-OH) Secondary Building Units: From a 0-D Complex to a 1-D Chain and a 3-D Lattice","Crystal Growth & Design","2010","10","6","2606","","10.1021/cg100060p","","","0.71073","MoKα","","0.0482","0.0356","","","0.1026","0.1115","","","","","","1.042","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501527","18.166","0.002","18.211","0.002","21.2","0.003","90","","90","","90","","7013.4","1.5","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C52 H48 Cu6 F12 N18 O14 S4 -","- C52 H48 Cu6 F12 N18 O14 S4 -","- C208 H192 Cu24 F48 N72 O56 S16 -","4","0.5","","Rivera-Carrillo, Marlyn; Chakraborty, Indranil; Raptis, Raphael G.","Systematic Synthesis of a Metal Organic Framework Based on Triangular Cu3(μ3-OH) Secondary Building Units: From a 0-D Complex to a 1-D Chain and a 3-D Lattice","Crystal Growth & Design","2010","10","6","2606","","10.1021/cg100060p","","","0.71073","MoKα","","0.0556","0.0356","","","0.0892","0.0988","","","","","","1.085","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501528","16.583","0.004","13.153","0.003","34.538","0.008","90","","90","","90","","7533","3","298","2","298","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C26 H23 Cu3 F6 N9 O7.5 S2 -","- C26 H23 Cu3 F6 N9 O7.5 S2 -","- C208 H184 Cu24 F48 N72 O60 S16 -","8","2","","Rivera-Carrillo, Marlyn; Chakraborty, Indranil; Raptis, Raphael G.","Systematic Synthesis of a Metal Organic Framework Based on Triangular Cu3(μ3-OH) Secondary Building Units: From a 0-D Complex to a 1-D Chain and a 3-D Lattice","Crystal Growth & Design","2010","10","6","2606","","10.1021/cg100060p","","","0.71073","MoKα","","0.1661","0.0904","","","0.2232","0.2719","","","","","","0.98","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501529","18.853","0.002","18.853","0.002","20.639","0.003","90","","90","","90","","7335.8","1.5","298","2","298","2","","","","","","","","7","P 42 b c","P 4c -2ab","106","","","","- C52 H50 Cu6 F12 N18 O17 S4 -","- C52 H50 Cu6 F12 N18 O17 S4 -","- C208 H200 Cu24 F48 N72 O68 S16 -","4","0.5","","Rivera-Carrillo, Marlyn; Chakraborty, Indranil; Raptis, Raphael G.","Systematic Synthesis of a Metal Organic Framework Based on Triangular Cu3(μ3-OH) Secondary Building Units: From a 0-D Complex to a 1-D Chain and a 3-D Lattice","Crystal Growth & Design","2010","10","6","2606","","10.1021/cg100060p","","","0.71073","MoKα","","0.1522","0.0846","","","0.1925","0.2193","","","","","","1.185","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501530","17.897","0.004","4.1251","0.0009","15.379","0.004","90","","95.766","0.003","90","","1129.6","0.5","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H8 Cu2 N6 -","- C9 H8 Cu2 N6 -","- C36 H32 Cu8 N24 -","4","0.5","","Xia, Jun; Zhang, Zhen-jie; Shi, Wei; Wei, Jun-fu; Cheng, Peng","Copper(I) Cyanide Coordination Polymers Constructed from Bis(Pyrazole-1-yl)alkane Ligands: Observation of the Odd−Even Dependence in the Structures","Crystal Growth & Design","2010","10","5","2323","","10.1021/cg100069g","","","0.71073","MoKα","","0.0334","0.0251","","","0.0644","0.0695","","","","","","1.062","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501531","8.9148","0.0018","7.9057","0.0016","17.246","0.003","90","","104.41","0.03","90","","1177.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cu2 N6 -","- C10 H10 Cu2 N6 -","- C40 H40 Cu8 N24 -","4","1","","Xia, Jun; Zhang, Zhen-jie; Shi, Wei; Wei, Jun-fu; Cheng, Peng","Copper(I) Cyanide Coordination Polymers Constructed from Bis(Pyrazole-1-yl)alkane Ligands: Observation of the Odd−Even Dependence in the Structures","Crystal Growth & Design","2010","10","5","2323","","10.1021/cg100069g","","","0.71073","MoKα","","0.0553","0.0437","","","0.0936","0.0987","","","","","","1.06","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501532","13.675","0.003","7.0096","0.0014","14.084","0.003","90","","107.502","0.003","90","","1287.5","0.5","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 Cu2 N6 -","- C11 H12 Cu2 N6 -","- C44 H48 Cu8 N24 -","4","1","","Xia, Jun; Zhang, Zhen-jie; Shi, Wei; Wei, Jun-fu; Cheng, Peng","Copper(I) Cyanide Coordination Polymers Constructed from Bis(Pyrazole-1-yl)alkane Ligands: Observation of the Odd−Even Dependence in the Structures","Crystal Growth & Design","2010","10","5","2323","","10.1021/cg100069g","","","0.71073","MoKα","","0.0596","0.037","","","0.084","0.0946","","","","","","1.016","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501533","8.1924","0.0016","8.312","0.0017","8.9434","0.0018","85.22","0.03","86.68","0.03","77.72","0.03","592.5","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H14 Cu N5 -","- C11 H14 Cu N5 -","- C22 H28 Cu2 N10 -","2","1","","Xia, Jun; Zhang, Zhen-jie; Shi, Wei; Wei, Jun-fu; Cheng, Peng","Copper(I) Cyanide Coordination Polymers Constructed from Bis(Pyrazole-1-yl)alkane Ligands: Observation of the Odd−Even Dependence in the Structures","Crystal Growth & Design","2010","10","5","2323","","10.1021/cg100069g","","","0.71073","MoKα","","0.0481","0.044","","","0.1226","0.1263","","","","","","1.026","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501534","13.7934","0.0004","14.2293","0.0004","10.3064","0.0003","90","","109.281","0.001","90","","1909.38","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 O12 Zn -","- C16 H24 O12 Zn -","- C64 H96 O48 Zn4 -","4","1","","Ma, Yu; Cheng, Ai-Ling; Gao, En-Qing","Novel 2D →2D Entanglement Pattern in the Coordination Network with Both Polyrotaxane and Polycatenane Features","Crystal Growth & Design","2010","10","7","2832","","10.1021/cg100074g","","","0.71073","MoKα","","0.0304","0.0249","","","0.0675","0.0704","","","","","","1.072","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501535","29.78","0.004","7.2495","0.0009","24.163","0.003","90","","123.628","0.003","90","","4343.6","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 N2 O17 Zn3 -","- C42 H42 N2 O17 Zn3 -","- C168 H168 N8 O68 Zn12 -","4","0.5","","Ma, Yu; Cheng, Ai-Ling; Gao, En-Qing","Novel 2D →2D Entanglement Pattern in the Coordination Network with Both Polyrotaxane and Polycatenane Features","Crystal Growth & Design","2010","10","7","2832","","10.1021/cg100074g","","","0.71073","MoKα","","0.0665","0.0482","","","0.147","0.1508","","","","","","1.164","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501536","27.414","0.004","27.414","0.004","11.908","0.002","90","","90","","120","","7750","2","113.15","","113.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C72 H74 N48 Ni13 O38 -","- C72 H73.98 N48 Ni13 O37.98 -","- C216 H221.94 N144 Ni39 O113.94 -","3","0.166667","","Hu, Bo-Wen; Zhao, Jiong-Peng; Tao, Jun; Sun, Xiao-Jun; Yang, Qian; Zhang, Xiao-Feng; Bu, Xian-He","A New Azido-Nickel Compound with Three-Dimensional Kagomé Topology","Crystal Growth & Design","2010","10","7","2829","","10.1021/cg100075k","","","0.710747","MoKα","","0.043","0.0401","","","0.1099","0.1121","","","","","","1.071","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501537","9.376","0.005","9.94","0.004","11.377","0.007","92.979","0.006","97.836","0.005","110.33","0.003","979.3","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 La O13 -","- C15 H13 La O13 -","- C30 H26 La2 O26 -","2","1","","Lama, Prem; Aijaz, Arshad; Neogi, Subhadip; Barbour, Leonard J.; Bharadwaj, Parimal K.","Microporous La(III) Metal−Organic Framework Using a Semirigid Tricarboxylic Ligand: Synthesis, Single-Crystal to Single-Crystal Sorption Properties, and Gas Adsorption Studies","Crystal Growth & Design","2010","10","8","3410","","10.1021/cg100078b","","","0.71073","MoKα","","0.0936","0.0644","","","0.1402","0.1875","","","","","","1.169","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501538","9.48","0.007","9.968","0.005","11.255","0.004","92.329","0.005","98.804","0.006","110.796","0.005","977.3","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H19 La O12 -","- C17 H19 La O12 -","- C34 H38 La2 O24 -","2","1","","Lama, Prem; Aijaz, Arshad; Neogi, Subhadip; Barbour, Leonard J.; Bharadwaj, Parimal K.","Microporous La(III) Metal−Organic Framework Using a Semirigid Tricarboxylic Ligand: Synthesis, Single-Crystal to Single-Crystal Sorption Properties, and Gas Adsorption Studies","Crystal Growth & Design","2010","10","8","3410","","10.1021/cg100078b","","","0.71073","MoKα","","0.0756","0.0507","","","0.1145","0.1797","","","","","","1.264","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501539","9.491","0.005","10.052","0.003","11.344","0.005","94.429","0.006","97.914","0.002","111.386","0.005","988.6","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 La O12 -","- C18 H19 La O12 -","- C36 H38 La2 O24 -","2","1","","Lama, Prem; Aijaz, Arshad; Neogi, Subhadip; Barbour, Leonard J.; Bharadwaj, Parimal K.","Microporous La(III) Metal−Organic Framework Using a Semirigid Tricarboxylic Ligand: Synthesis, Single-Crystal to Single-Crystal Sorption Properties, and Gas Adsorption Studies","Crystal Growth & Design","2010","10","8","3410","","10.1021/cg100078b","","","0.71069","MoKα","","0.0888","0.0791","","","0.1932","0.1993","","","","","","1.07","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501540","9.404","0.003","9.957","0.005","11.459","0.008","93.381","0.005","97.716","0.004","110.242","0.005","991.2","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 La N O11 -","- C20 H18 La N O11 -","- C40 H36 La2 N2 O22 -","2","1","","Lama, Prem; Aijaz, Arshad; Neogi, Subhadip; Barbour, Leonard J.; Bharadwaj, Parimal K.","Microporous La(III) Metal−Organic Framework Using a Semirigid Tricarboxylic Ligand: Synthesis, Single-Crystal to Single-Crystal Sorption Properties, and Gas Adsorption Studies","Crystal Growth & Design","2010","10","8","3410","","10.1021/cg100078b","","","0.71073","MoKα","","0.0734","0.0528","","","0.1147","0.1679","","","","","","1.244","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501541","9.36","0.005","9.936","0.003","11.384","0.006","93.182","0.005","97.617","0.004","110.271","0.007","978.5","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 La O13 -","- C15 H13 La O13 -","- C30 H26 La2 O26 -","2","1","","Lama, Prem; Aijaz, Arshad; Neogi, Subhadip; Barbour, Leonard J.; Bharadwaj, Parimal K.","Microporous La(III) Metal−Organic Framework Using a Semirigid Tricarboxylic Ligand: Synthesis, Single-Crystal to Single-Crystal Sorption Properties, and Gas Adsorption Studies","Crystal Growth & Design","2010","10","8","3410","","10.1021/cg100078b","","","0.71073","MoKα","","0.0783","0.0577","","","0.1353","0.1833","","","","","","1.184","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501542","8.849","0.004","11.171","0.005","12.667","0.007","73.686","0.005","85.005","0.008","74.93","0.002","1160.3","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 La N2 O10 -","- C21 H23 La N2 O10 -","- C42 H46 La2 N4 O20 -","2","1","","Lama, Prem; Aijaz, Arshad; Neogi, Subhadip; Barbour, Leonard J.; Bharadwaj, Parimal K.","Microporous La(III) Metal−Organic Framework Using a Semirigid Tricarboxylic Ligand: Synthesis, Single-Crystal to Single-Crystal Sorption Properties, and Gas Adsorption Studies","Crystal Growth & Design","2010","10","8","3410","","10.1021/cg100078b","","","0.71073","MoKα","","0.0828","0.0551","","","0.1228","0.1984","","","","","","1.276","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501543","8.898","0.003","8.898","0.003","7.679","0.003","90","","90","","90","","608","0.4","293","2","293","2","","","","","","","","6","P -4","P -4","81","","","","- C12 H16 Ca Co2 N4 O16 -","- C12 H16 Ca Co2 N4 O16 -","- C12 H16 Ca Co2 N4 O16 -","1","0.25","","Borel, Cédric; Davies, Kate; Handa, Paul; Hedberg, Gustav; Oliver, Clive L.; Bourne, Susan A.; Håkansson, Mikael; Langer, Vratislav; Öhrström, Lars","Family of Isoreticular Chiral Metal−Organic Frameworks Based on Coordination and Hydrogen Bonds in [M[Co(ethylenediamine)(oxalato)2]2]","Crystal Growth & Design","2010","10","4","1971","","10.1021/cg1000842","","","0.71073","MoKα","","0.0716","0.0685","","","0.178","0.1823","","","","","","1.114","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501544","8.9518","0.0012","15.455","0.002","8.9934","0.0012","90","","92.91","0.003","90","","1242.6","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H24 Ca Co2 N4 O20 -","- C12 H24 Ca Co2 N4 O20 -","- C24 H48 Ca2 Co4 N8 O40 -","2","1","","Borel, Cédric; Davies, Kate; Handa, Paul; Hedberg, Gustav; Oliver, Clive L.; Bourne, Susan A.; Håkansson, Mikael; Langer, Vratislav; Öhrström, Lars","Family of Isoreticular Chiral Metal−Organic Frameworks Based on Coordination and Hydrogen Bonds in [M[Co(ethylenediamine)(oxalato)2]2]","Crystal Growth & Design","2010","10","4","1971","","10.1021/cg1000842","","","0.71073","MoKα","","0.0587","0.0538","","","0.1387","0.1426","","","","","","1.022","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501545","8.918","0.003","8.918","0.003","7.69","0.003","90","","90","","90","","611.6","0.4","293","2","293","2","","","","","","","","6","P -4","P -4","81","","","","- C12 H16 Cd Co2 N4 O16 -","- C12 H16 Cd Co2 N4 O16 -","- C12 H16 Cd Co2 N4 O16 -","1","0.25","","Borel, Cédric; Davies, Kate; Handa, Paul; Hedberg, Gustav; Oliver, Clive L.; Bourne, Susan A.; Håkansson, Mikael; Langer, Vratislav; Öhrström, Lars","Family of Isoreticular Chiral Metal−Organic Frameworks Based on Coordination and Hydrogen Bonds in [M[Co(ethylenediamine)(oxalato)2]2]","Crystal Growth & Design","2010","10","4","1971","","10.1021/cg1000842","","","0.71073","MoKα","","0.0702","0.0692","","","0.1857","0.1871","","","","","","1.163","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501546","8.8416","0.0018","30.394","0.006","8.8226","0.0017","90","","92.158","0.008","90","","2369.2","0.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H32 Co4 Mn2 N8 O39 -","- C24 H32 Co4 Mn2 N8 O39 -","- C48 H64 Co8 Mn4 N16 O78 -","2","1","","Borel, Cédric; Davies, Kate; Handa, Paul; Hedberg, Gustav; Oliver, Clive L.; Bourne, Susan A.; Håkansson, Mikael; Langer, Vratislav; Öhrström, Lars","Family of Isoreticular Chiral Metal−Organic Frameworks Based on Coordination and Hydrogen Bonds in [M[Co(ethylenediamine)(oxalato)2]2]","Crystal Growth & Design","2010","10","4","1971","","10.1021/cg1000842","","","0.71073","MoKα","","0.1047","0.0965","","","0.2634","0.2697","","","","","","1.035","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501547","9.0785","0.0017","15.666","0.003","9.1321","0.0017","90","","92.57","","90","","1297.5","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H16 Co2 N4 O20 Sr -","- C12 H16 Co2 N4 O20 Sr -","- C24 H32 Co4 N8 O40 Sr2 -","2","1","","Borel, Cédric; Davies, Kate; Handa, Paul; Hedberg, Gustav; Oliver, Clive L.; Bourne, Susan A.; Håkansson, Mikael; Langer, Vratislav; Öhrström, Lars","Family of Isoreticular Chiral Metal−Organic Frameworks Based on Coordination and Hydrogen Bonds in [M[Co(ethylenediamine)(oxalato)2]2]","Crystal Growth & Design","2010","10","4","1971","","10.1021/cg1000842","","","0.71073","MoKα","","0.0472","0.0453","","","0.1196","0.1207","","","","","","1.112","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501548","9.0325","0.0014","15.476","0.002","9.1107","0.0015","90","","92.883","0.003","90","","1271.9","0.3","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H17 Co2 N4 O19.26 Sr -","- C12 H17 Co2 N4 O19.26 Sr -","- C24 H34 Co4 N8 O38.52 Sr2 -","2","1","","Borel, Cédric; Davies, Kate; Handa, Paul; Hedberg, Gustav; Oliver, Clive L.; Bourne, Susan A.; Håkansson, Mikael; Langer, Vratislav; Öhrström, Lars","Family of Isoreticular Chiral Metal−Organic Frameworks Based on Coordination and Hydrogen Bonds in [M[Co(ethylenediamine)(oxalato)2]2]","Crystal Growth & Design","2010","10","4","1971","","10.1021/cg1000842","","","0.71073","MoKα","","0.0673","0.0549","","","0.1408","0.1498","","","","","","1.017","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501549","34.081","0.002","10.751","0.0008","23.6158","0.0018","90","","117.064","0.001","90","","7705.4","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H32 F24 N0 O18 Pb6 -","- C68 H32 F24 O18 Pb6 -","- C272 H128 F96 O72 Pb24 -","4","0.5","","Li, Dong-Sheng; Wu, Ya-Pan; Zhang, Peng; Du, Miao; Zhao, Jun; Li, Cheng-Peng; Wang, Yao-Yu","An Unprecedented Eight-Connected Self-Penetrating Coordination Framework Based on Cage-Shaped [Pb6(μ4-O)2(O2C)8] Clusters","Crystal Growth & Design","2010","10","5","2037","","10.1021/cg100090h","","","0.71073","MoKα","","0.0768","0.0595","","","0.1419","0.1476","","","","","","1.092","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501550","36.405","0.003","36.405","0.003","11.6941","0.0017","90","","90","","120","","13422","3","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C30 H38 I6 N6 Nd2 O17 -","- C30 H28 I6 N6 Nd2 O17 -","- C270 H252 I54 N54 Nd18 O153 -","9","0.5","","Dai, Fangna; Cui, Peipei; Ye, Fei; Sun, Daofeng","An Open Neodymium−Organic Framework with the NbO Structure Type Based on Binuclear SBU Involved In Situ Generated Formate","Crystal Growth & Design","2010","10","4","1474","","10.1021/cg1000914","","","0.71073","MoKα","","0.0458","0.0377","","","0.1148","0.1255","","","","","","1.057","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501551","36.405","0.003","36.405","0.003","11.6941","0.0017","90","","90","","120","","13422","3","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C15 H17 I3 N3 Nd O8 -","- C15 H14 I3 N3 Nd O8 -","- C270 H252 I54 N54 Nd18 O144 -","18","1","","Dai, Fangna; Cui, Peipei; Ye, Fei; Sun, Daofeng","An Open Neodymium−Organic Framework with the NbO Structure Type Based on Binuclear SBU Involved In Situ Generated Formate","Crystal Growth & Design","2010","10","4","1474","","10.1021/cg1000914","","","0.71073","MoKα","","0.055","0.0418","","","0.1182","0.1303","","","","","","0.721","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501552","36.415","0.002","36.415","0.002","11.6634","0.0013","90","","90","","120","","13394.2","1.8","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C15 H17 I3 N3 Nd O8 -","- C15 H13 I3 N3 Nd O8 -","- C270 H234 I54 N54 Nd18 O144 -","18","1","","Dai, Fangna; Cui, Peipei; Ye, Fei; Sun, Daofeng","An Open Neodymium−Organic Framework with the NbO Structure Type Based on Binuclear SBU Involved In Situ Generated Formate","Crystal Growth & Design","2010","10","4","1474","","10.1021/cg1000914","","","0.71073","MoKα","","0.0967","0.0495","","","0.122","0.1382","","","","","","0.939","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501553","36.431","0.0012","36.431","0.0012","11.6867","0.0008","90","","90","","120","","13432.7","1.1","273","2","273","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C15 H17 I3 N3 Nd O8 -","- C15 H13 I3 N3 Nd O8 -","- C270 H234 I54 N54 Nd18 O144 -","18","1","","Dai, Fangna; Cui, Peipei; Ye, Fei; Sun, Daofeng","An Open Neodymium−Organic Framework with the NbO Structure Type Based on Binuclear SBU Involved In Situ Generated Formate","Crystal Growth & Design","2010","10","4","1474","","10.1021/cg1000914","","","0.71073","MoKα","","0.0667","0.0451","","","0.1377","0.1516","","","","","","1.108","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501554","13.825","0.004","14.017","0.004","16.71","0.005","68.684","0.003","74.647","0.004","74.865","0.004","2859.6","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C106 H132 Cl8 N10 O5 Zn4 -","- C106 H126 Cl8 N10 O5 Zn4 -","- C106 H126 Cl8 N10 O5 Zn4 -","1","0.5","","Yang, Jin; Wu, Biao; Zhuge, Fuyu; Liang, Jianjun; Jia, Chuandong; Wang, Yao-Yu; Tang, Ning; Yang, Xiao-Juan; Shi, Qi-Zhen","Coordination Networks from Zero-Dimensional Metallomacrocycle, One-Dimensional Chain to Two-Dimensional Sheet Based on a Ditopic Diiminopyridine Ligand and Group 12 Metals","Crystal Growth & Design","2010","10","5","2331","","10.1021/cg100093n","","","0.71073","MoKα","","0.0813","0.0527","","","0.15","0.1704","","","","","","1.021","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501555","15.003","0.003","31.085","0.006","13.095","0.003","90","","90","","90","","6107","2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C47 H63 Cl10 N5 O4 Zn2 -","- C47 H59 Cl10 N5 O4 Zn2 -","- C188 H236 Cl40 N20 O16 Zn8 -","4","1","","Yang, Jin; Wu, Biao; Zhuge, Fuyu; Liang, Jianjun; Jia, Chuandong; Wang, Yao-Yu; Tang, Ning; Yang, Xiao-Juan; Shi, Qi-Zhen","Coordination Networks from Zero-Dimensional Metallomacrocycle, One-Dimensional Chain to Two-Dimensional Sheet Based on a Ditopic Diiminopyridine Ligand and Group 12 Metals","Crystal Growth & Design","2010","10","5","2331","","10.1021/cg100093n","","","0.71073","MoKα","","0.1121","0.0617","","","0.1517","0.1805","","","","","","0.995","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501556","8.753","0.011","16.52","0.02","16.82","0.02","103.068","0.015","94.392","0.017","98.362","0.016","2329","5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C87 H102 Cl6 N10 O Zn2 -","- C87 H100 Cl6 N10 O Zn2 -","- C87 H100 Cl6 N10 O Zn2 -","1","0.5","","Yang, Jin; Wu, Biao; Zhuge, Fuyu; Liang, Jianjun; Jia, Chuandong; Wang, Yao-Yu; Tang, Ning; Yang, Xiao-Juan; Shi, Qi-Zhen","Coordination Networks from Zero-Dimensional Metallomacrocycle, One-Dimensional Chain to Two-Dimensional Sheet Based on a Ditopic Diiminopyridine Ligand and Group 12 Metals","Crystal Growth & Design","2010","10","5","2331","","10.1021/cg100093n","","","0.71073","MoKα","","0.1504","0.0789","","","0.2046","0.244","","","","","","0.985","","","","has coordinates,has disorder","179546","2020-10-21","18:00:00",""
"4501557","8.8613","0.0008","16.8356","0.0015","17.224","0.0016","104.287","0.001","93.074","0.001","99.477","0.001","2444.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H51 Br2 Cl2 N5 Zn -","- C44 H51 Br2 Cl2 N5 Zn -","- C88 H102 Br4 Cl4 N10 Zn2 -","2","1","","Yang, Jin; Wu, Biao; Zhuge, Fuyu; Liang, Jianjun; Jia, Chuandong; Wang, Yao-Yu; Tang, Ning; Yang, Xiao-Juan; Shi, Qi-Zhen","Coordination Networks from Zero-Dimensional Metallomacrocycle, One-Dimensional Chain to Two-Dimensional Sheet Based on a Ditopic Diiminopyridine Ligand and Group 12 Metals","Crystal Growth & Design","2010","10","5","2331","","10.1021/cg100093n","","","0.71073","MoKα","","0.149","0.0623","","","0.1474","0.1882","","","","","","0.943","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501558","8.799","0.002","17.294","0.004","17.334","0.004","106.025","0.003","92.531","0.003","99.213","0.003","2491.6","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H49 I2 N5 Zn -","- C43 H49 I2 N5 Zn -","- C86 H98 I4 N10 Zn2 -","2","1","","Yang, Jin; Wu, Biao; Zhuge, Fuyu; Liang, Jianjun; Jia, Chuandong; Wang, Yao-Yu; Tang, Ning; Yang, Xiao-Juan; Shi, Qi-Zhen","Coordination Networks from Zero-Dimensional Metallomacrocycle, One-Dimensional Chain to Two-Dimensional Sheet Based on a Ditopic Diiminopyridine Ligand and Group 12 Metals","Crystal Growth & Design","2010","10","5","2331","","10.1021/cg100093n","","","0.71073","MoKα","","0.1425","0.0621","","","0.1772","0.2231","","","","","","1.007","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501559","9.3232","0.0019","13.392","0.003","19.236","0.004","99.65","0.03","93.16","0.03","99.26","0.03","2328.6","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C100 H114 N12 O6 Zn -","- C100 H114 N12 O6 Zn -","- C100 H114 N12 O6 Zn -","1","0.5","","Yang, Jin; Wu, Biao; Zhuge, Fuyu; Liang, Jianjun; Jia, Chuandong; Wang, Yao-Yu; Tang, Ning; Yang, Xiao-Juan; Shi, Qi-Zhen","Coordination Networks from Zero-Dimensional Metallomacrocycle, One-Dimensional Chain to Two-Dimensional Sheet Based on a Ditopic Diiminopyridine Ligand and Group 12 Metals","Crystal Growth & Design","2010","10","5","2331","","10.1021/cg100093n","","","0.71073","MoKα","","0.1204","0.0687","","","0.1732","0.2087","","","","","","1.044","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501560","9.162","0.003","13.885","0.004","19.359","0.005","79.078","0.004","88.87","0.004","80.669","0.004","2386","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H102 Cd Cl6 N10 -","- C88 H102 Cd Cl6 N10 -","- C88 H102 Cd Cl6 N10 -","1","0.5","","Yang, Jin; Wu, Biao; Zhuge, Fuyu; Liang, Jianjun; Jia, Chuandong; Wang, Yao-Yu; Tang, Ning; Yang, Xiao-Juan; Shi, Qi-Zhen","Coordination Networks from Zero-Dimensional Metallomacrocycle, One-Dimensional Chain to Two-Dimensional Sheet Based on a Ditopic Diiminopyridine Ligand and Group 12 Metals","Crystal Growth & Design","2010","10","5","2331","","10.1021/cg100093n","","","0.71073","MoKα","","0.1132","0.0723","","","0.1933","0.2216","","","","","","1.051","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501561","9.1844","0.0018","13.608","0.003","19.55","0.004","99.927","0.003","92.104","0.003","98.862","0.003","2373","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C87 H100 Cd Cl2 N12 O6 -","- C87 H100 Cd Cl2 N12 O6 -","- C87 H100 Cd Cl2 N12 O6 -","1","0.5","","Yang, Jin; Wu, Biao; Zhuge, Fuyu; Liang, Jianjun; Jia, Chuandong; Wang, Yao-Yu; Tang, Ning; Yang, Xiao-Juan; Shi, Qi-Zhen","Coordination Networks from Zero-Dimensional Metallomacrocycle, One-Dimensional Chain to Two-Dimensional Sheet Based on a Ditopic Diiminopyridine Ligand and Group 12 Metals","Crystal Growth & Design","2010","10","5","2331","","10.1021/cg100093n","","","0.71073","MoKα","","0.0808","0.0615","","","0.1768","0.1922","","","","","","1.114","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501562","9.623","0.002","13.519","0.003","19.238","0.004","98.79","0.003","92.299","0.003","99.514","0.003","2433.8","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C87 H100 Cd Cl4 N10 O8 -","- C87 H100 Cd Cl4 N10 O8 -","- C87 H100 Cd Cl4 N10 O8 -","1","0.5","","Yang, Jin; Wu, Biao; Zhuge, Fuyu; Liang, Jianjun; Jia, Chuandong; Wang, Yao-Yu; Tang, Ning; Yang, Xiao-Juan; Shi, Qi-Zhen","Coordination Networks from Zero-Dimensional Metallomacrocycle, One-Dimensional Chain to Two-Dimensional Sheet Based on a Ditopic Diiminopyridine Ligand and Group 12 Metals","Crystal Growth & Design","2010","10","5","2331","","10.1021/cg100093n","","","0.71073","MoKα","","0.1069","0.0704","","","0.1826","0.2096","","","","","","1.005","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501563","23.076","0.006","21.216","0.006","23.34","0.007","90","","90","","90","","11427","6","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C86 H102 Cl10 Hg5 N10 O2 -","- C86 H98 Cl10 Hg5 N10 O2 -","- C344 H392 Cl40 Hg20 N40 O8 -","4","0.25","","Yang, Jin; Wu, Biao; Zhuge, Fuyu; Liang, Jianjun; Jia, Chuandong; Wang, Yao-Yu; Tang, Ning; Yang, Xiao-Juan; Shi, Qi-Zhen","Coordination Networks from Zero-Dimensional Metallomacrocycle, One-Dimensional Chain to Two-Dimensional Sheet Based on a Ditopic Diiminopyridine Ligand and Group 12 Metals","Crystal Growth & Design","2010","10","5","2331","","10.1021/cg100093n","","","0.71073","MoKα","","0.1064","0.0555","","","0.1519","0.1852","","","","","","1.035","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501564","9.253","0.013","15.35","0.02","20.68","0.04","107.41","0.03","91.73","0.03","105.227","0.019","2685","7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C91 H106 Br4 Cl2 Hg2 N12 -","- C91 H106 Br4 Cl2 Hg2 N12 -","- C91 H106 Br4 Cl2 Hg2 N12 -","1","0.5","","Yang, Jin; Wu, Biao; Zhuge, Fuyu; Liang, Jianjun; Jia, Chuandong; Wang, Yao-Yu; Tang, Ning; Yang, Xiao-Juan; Shi, Qi-Zhen","Coordination Networks from Zero-Dimensional Metallomacrocycle, One-Dimensional Chain to Two-Dimensional Sheet Based on a Ditopic Diiminopyridine Ligand and Group 12 Metals","Crystal Growth & Design","2010","10","5","2331","","10.1021/cg100093n","","","0.71073","MoKα","","0.1406","0.0594","","","0.1338","0.1622","","","","","","0.921","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501565","8.671","0.006","17.105","0.011","17.134","0.011","106.475","0.01","100.111","0.01","91.359","0.011","2392","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C87 H100 Cl2 Hg2 I4 N10 -","- C87 H100 Cl2 Hg2 I4 N10 -","- C87 H100 Cl2 Hg2 I4 N10 -","1","0.5","","Yang, Jin; Wu, Biao; Zhuge, Fuyu; Liang, Jianjun; Jia, Chuandong; Wang, Yao-Yu; Tang, Ning; Yang, Xiao-Juan; Shi, Qi-Zhen","Coordination Networks from Zero-Dimensional Metallomacrocycle, One-Dimensional Chain to Two-Dimensional Sheet Based on a Ditopic Diiminopyridine Ligand and Group 12 Metals","Crystal Growth & Design","2010","10","5","2331","","10.1021/cg100093n","","","0.71073","MoKα","","0.0606","0.0515","","","0.1368","0.1426","","","","","","1.034","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501566","10.925","0.003","12.736","0.002","12.453","0.003","90","","98.413","0.009","90","","1714.1","0.7","90","0.5","90","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H52.67 Cl6 N6 O2.34 -","- C26 H52 Cl6 N6 O2.34 -","- C52 H104 Cl12 N12 O4.68 -","2","0.5","","Hossain, Md Alamgir; Saeed, Musabbir A.; Fronczek, Frank R.; Wong, Bryan M.; Dey, Kalpana R.; Mendy, John S.; Gibson, Don","Charge-assisted encapsulation of two chlorides by a hexaprotonated azamacrocycle.","Crystal growth & design","2010","10","4","1478","1781","10.1021/cg100110f","","","0.71073","MoKα","","0.076","0.054","","","0.113","0.122","","","","","","1.061","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501567","5.7692","0.001","7.4252","0.0012","24.716","0.004","90","","91.76","0.002","90","","1058.3","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","pyrrole-phenyl-thiophene","1,1'-(bithiophen-5,5''-diyldibenzene-4,1-diyl)bis(1H-pyrrole)","","- C28 H20 N2 S2 -","- C28 H20 N2 S2 -","- C56 H40 N4 S4 -","2","1","","Tavazzi, Silvia; Miozzo, Luciano; Silvestri, Leonardo; Mora, Stefano; Spearman, Peter; Moret, Massimo; Rizzato, Silvia; Braga, Daniele; Diagne Diaw, Abdou Karim; Gningue-Sall, Diariatou; Aaron, Jean-Jacques; Yassar, Abderrahim","Crystal Structure and Optical Properties of N-Pyrrole End-Capped Thiophene/Phenyl Co-Oligomer: Strong H-type Excitonic Coupling and Emission Self-Waveguiding","Crystal Growth & Design","2010","10","5","2342","","10.1021/cg100113h","","","0.71073","MoKα","","0.062","0.0432","","","0.0938","0.1026","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501568","8.682","0.002","10.082","0.003","11.81","0.003","68.382","0.004","82.919","0.004","78.43","0.004","940.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Cobalt-bipyridylpropane-isophthalate","","","- C21 H18 Co N2 O4 -","- C21 H18 Co N2 O4 -","- C42 H36 Co2 N4 O8 -","2","1","","Hulvey, Zeric; Furman, Joshua D.; Turner, Sara A.; Tang, Min; Cheetham, Anthony K.","Dimensionality Trends in Metal−Organic Frameworks Containing Perfluorinated or Nonfluorinated Benzenedicarboxylates","Crystal Growth & Design","2010","10","5","2041","","10.1021/cg100121n","","","0.71073","MoKα","","0.0888","0.0533","","","0.116","0.1281","","","","","","0.929","","","","has coordinates,has disorder","179546","2020-10-21","18:00:00",""
"4501569","10.0719","0.0014","10.0962","0.0016","10.0938","0.0014","78.76","0.004","69.287","0.004","85.352","0.004","941.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Cobalt-bipyridylethane-isophthalate","","","- C20 H16 Co N2 O4 -","- C20 H16 Co N2 O4 -","- C40 H32 Co2 N4 O8 -","2","1","","Hulvey, Zeric; Furman, Joshua D.; Turner, Sara A.; Tang, Min; Cheetham, Anthony K.","Dimensionality Trends in Metal−Organic Frameworks Containing Perfluorinated or Nonfluorinated Benzenedicarboxylates","Crystal Growth & Design","2010","10","5","2041","","10.1021/cg100121n","","","0.71073","MoKα","","0.1509","0.0773","","","0.1829","0.2431","","","","","","0.802","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501570","11.73","0.03","16.68","0.03","19.55","0.07","90","","90","","90","","3825","18","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Cobalt-bipyridylpropane-terephthalate","","","- C21 H18 Co N2 O4 -","- C21 H18 Co N2 O4 -","- C168 H144 Co8 N16 O32 -","8","1","","Hulvey, Zeric; Furman, Joshua D.; Turner, Sara A.; Tang, Min; Cheetham, Anthony K.","Dimensionality Trends in Metal−Organic Frameworks Containing Perfluorinated or Nonfluorinated Benzenedicarboxylates","Crystal Growth & Design","2010","10","5","2041","","10.1021/cg100121n","","","0.71073","MoKα","","0.0945","0.0661","","","0.141","0.1566","","","","","","1.105","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501571","10.1103","0.0009","26.854","0.003","13.3316","0.0012","90","","107.234","0.002","90","","3457","0.6","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Nickel-bipyridylethane-isophthalate","","","- C60 H64 N6 Ni3 O20 -","- C60 H64 N6 Ni3 O20 -","- C120 H128 N12 Ni6 O40 -","2","0.5","","Hulvey, Zeric; Furman, Joshua D.; Turner, Sara A.; Tang, Min; Cheetham, Anthony K.","Dimensionality Trends in Metal−Organic Frameworks Containing Perfluorinated or Nonfluorinated Benzenedicarboxylates","Crystal Growth & Design","2010","10","5","2041","","10.1021/cg100121n","","","0.71073","MoKα","","0.1379","0.0848","","","0.2414","0.2767","","","","","","0.927","","","","has coordinates,has disorder","179546","2020-10-21","18:00:00",""
"4501572","9.4552","0.0017","10.078","0.0018","11.923","0.002","81.037","0.003","71.1","0.003","65.366","0.003","976.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Nickel-bipyridylpropane-isophthalate","","","- C21 H20 N2 Ni O5 -","- C21 H20 N2 Ni O5 -","- C42 H40 N4 Ni2 O10 -","2","1","","Hulvey, Zeric; Furman, Joshua D.; Turner, Sara A.; Tang, Min; Cheetham, Anthony K.","Dimensionality Trends in Metal−Organic Frameworks Containing Perfluorinated or Nonfluorinated Benzenedicarboxylates","Crystal Growth & Design","2010","10","5","2041","","10.1021/cg100121n","","","0.71073","MoKα","","0.064","0.0411","","","0.086","0.0927","","","","","","0.949","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501573","16.771","0.002","15.488","0.002","16.598","0.002","90","","113.853","0.003","90","","3943.1","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Nickel-bipyridylpropane-terephthalate","","","- C21 H22 N2 Ni O6 -","- C21 H22 N2 Ni O6 -","- C168 H176 N16 Ni8 O48 -","8","1","","Hulvey, Zeric; Furman, Joshua D.; Turner, Sara A.; Tang, Min; Cheetham, Anthony K.","Dimensionality Trends in Metal−Organic Frameworks Containing Perfluorinated or Nonfluorinated Benzenedicarboxylates","Crystal Growth & Design","2010","10","5","2041","","10.1021/cg100121n","","","0.71073","MoKα","","0.1181","0.077","","","0.1407","0.1555","","","","","","1.129","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501574","7.165","0.002","7.332","0.002","10.218","0.003","74.64","0.004","75.171","0.004","85.179","0.004","500.3","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Zinc-bipyridylethane-terephthalate-chloride","","","- C10 H8 Cl N O2 Zn -","- C10 H8 Cl N O2 Zn -","- C20 H16 Cl2 N2 O4 Zn2 -","2","1","","Hulvey, Zeric; Furman, Joshua D.; Turner, Sara A.; Tang, Min; Cheetham, Anthony K.","Dimensionality Trends in Metal−Organic Frameworks Containing Perfluorinated or Nonfluorinated Benzenedicarboxylates","Crystal Growth & Design","2010","10","5","2041","","10.1021/cg100121n","","","0.7749","synchrotron","","0.0895","0.0858","","","0.2737","0.2753","","","","","","1.189","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501575","8.5191","0.0017","9.6341","0.0019","11.562","0.002","66.5","0.003","76.143","0.003","89.152","0.003","841.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Zinc-bipyridylethane-isophthalate","","","- C20 H16 N2 O4 Zn -","- C20 H16 N2 O4 Zn -","- C40 H32 N4 O8 Zn2 -","2","1","","Hulvey, Zeric; Furman, Joshua D.; Turner, Sara A.; Tang, Min; Cheetham, Anthony K.","Dimensionality Trends in Metal−Organic Frameworks Containing Perfluorinated or Nonfluorinated Benzenedicarboxylates","Crystal Growth & Design","2010","10","5","2041","","10.1021/cg100121n","","","0.71073","MoKα","","0.0688","0.0508","","","0.1112","0.1184","","","","","","1.021","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501576","11.109","0.016","11.109","0.016","46.95","0.09","90","","90","","120","","5018","14","293","2","293","2","","","","","","","","5","P 31","P 31","144","Copper-bipyridylethane-isophthalate","","","- C68 H54 Cu4 N6 O17 -","- C68 H54 Cu4 N6 O17 -","- C204 H162 Cu12 N18 O51 -","3","1","","Hulvey, Zeric; Furman, Joshua D.; Turner, Sara A.; Tang, Min; Cheetham, Anthony K.","Dimensionality Trends in Metal−Organic Frameworks Containing Perfluorinated or Nonfluorinated Benzenedicarboxylates","Crystal Growth & Design","2010","10","5","2041","","10.1021/cg100121n","","","0.71073","MoKα","","0.1674","0.1033","","","0.2149","0.2467","","","","","","1.077","","","","has coordinates,has disorder","179546","2020-10-21","18:00:00",""
"4501577","11.021","0.014","11.193","0.016","15.739","0.013","90","","104.01","0.09","90","","1884","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Zinc-bipyridylpropane-isophthalate","","","- C21 H18 N2 O4 Zn -","- C21 H18 N2 O4 Zn -","- C84 H72 N8 O16 Zn4 -","4","1","","Hulvey, Zeric; Furman, Joshua D.; Turner, Sara A.; Tang, Min; Cheetham, Anthony K.","Dimensionality Trends in Metal−Organic Frameworks Containing Perfluorinated or Nonfluorinated Benzenedicarboxylates","Crystal Growth & Design","2010","10","5","2041","","10.1021/cg100121n","","","0.71073","MoKα","","0.0802","0.0559","","","0.1374","0.1487","","","","","","0.988","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501578","11.286","0.006","11.3","0.005","17.338","0.008","79.946","0.008","74.484","0.008","89.864","0.008","2095.6","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H18 Co F4 N2 O6 -","- C21 H18 Co F4 N2 O6 -","- C84 H72 Co4 F16 N8 O24 -","4","2","","Hulvey, Zeric; Furman, Joshua D.; Turner, Sara A.; Tang, Min; Cheetham, Anthony K.","Dimensionality Trends in Metal−Organic Frameworks Containing Perfluorinated or Nonfluorinated Benzenedicarboxylates","Crystal Growth & Design","2010","10","5","2041","","10.1021/cg100121n","","","0.71073","MoKα","","0.1898","0.1023","","","0.2182","0.2671","","","","","","1.038","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501579","7.509","0.005","8.497","0.006","11.853","0.008","98.693","0.01","102.646","0.01","106.529","0.011","688.8","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H8 Cu F4 N O5 -","- C14 H8 Cu F4 N O5 -","- C28 H16 Cu2 F8 N2 O10 -","2","1","","Hulvey, Zeric; Furman, Joshua D.; Turner, Sara A.; Tang, Min; Cheetham, Anthony K.","Dimensionality Trends in Metal−Organic Frameworks Containing Perfluorinated or Nonfluorinated Benzenedicarboxylates","Crystal Growth & Design","2010","10","5","2041","","10.1021/cg100121n","","","0.71073","MoKα","","0.0615","0.0475","","","0.1109","0.1203","","","","","","1.075","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501580","10.665","0.002","8.0467","0.0016","23.644","0.004","90","","92.984","0.005","90","","2026.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 Cu F4 N2 O5 -","- C21 H16 Cu F4 N2 O5 -","- C84 H64 Cu4 F16 N8 O20 -","4","1","","Hulvey, Zeric; Furman, Joshua D.; Turner, Sara A.; Tang, Min; Cheetham, Anthony K.","Dimensionality Trends in Metal−Organic Frameworks Containing Perfluorinated or Nonfluorinated Benzenedicarboxylates","Crystal Growth & Design","2010","10","5","2041","","10.1021/cg100121n","","","0.71073","MoKα","","0.1614","0.0943","","","0.1635","0.19","","","","","","1.083","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501581","9.4448","0.0009","15.7681","0.0016","13.5606","0.0013","90","","107.067","0.002","90","","1930.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 Cu F4 N2 O4 -","- C21 H14.003 Cu F4 N2 O4 -","- C84 H56.012 Cu4 F16 N8 O16 -","4","1","","Hulvey, Zeric; Furman, Joshua D.; Turner, Sara A.; Tang, Min; Cheetham, Anthony K.","Dimensionality Trends in Metal−Organic Frameworks Containing Perfluorinated or Nonfluorinated Benzenedicarboxylates","Crystal Growth & Design","2010","10","5","2041","","10.1021/cg100121n","","","0.71073","MoKα","","0.0896","0.0541","","","0.111","0.1241","","","","","","1.029","","","","has coordinates,has disorder","179546","2020-10-21","18:00:00",""
"4501582","30.967","0.003","10.4282","0.001","17.1624","0.0015","90","","119.526","0.002","90","","4822.5","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Co F4 N3 O4 -","- C26 H18 Co F4 N3 O4 -","- C208 H144 Co8 F32 N24 O32 -","8","1","","Hulvey, Zeric; Furman, Joshua D.; Turner, Sara A.; Tang, Min; Cheetham, Anthony K.","Dimensionality Trends in Metal−Organic Frameworks Containing Perfluorinated or Nonfluorinated Benzenedicarboxylates","Crystal Growth & Design","2010","10","5","2041","","10.1021/cg100121n","","","0.71073","MoKα","","0.1143","0.068","","","0.1273","0.1482","","","","","","1.058","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501583","9.76","0.004","10.076","0.004","11.054","0.005","67.415","0.006","81.259","0.007","77.594","0.006","977.4","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H12 Co F4 N2 O4 -","- C20 H12 Co F4 N2 O4 -","- C40 H24 Co2 F8 N4 O8 -","2","1","","Hulvey, Zeric; Furman, Joshua D.; Turner, Sara A.; Tang, Min; Cheetham, Anthony K.","Dimensionality Trends in Metal−Organic Frameworks Containing Perfluorinated or Nonfluorinated Benzenedicarboxylates","Crystal Growth & Design","2010","10","5","2041","","10.1021/cg100121n","","","0.71073","MoKα","","0.0837","0.0579","","","0.1307","0.1443","","","","","","1.06","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501584","9.558","0.003","10.492","0.004","15.18","0.005","105.058","0.005","97.07","0.006","91.781","0.006","1455.7","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H16 Cu2 F8 N2 O9 -","- C29 H16 Cu2 F8 N2 O9 -","- C58 H32 Cu4 F16 N4 O18 -","2","1","","Hulvey, Zeric; Furman, Joshua D.; Turner, Sara A.; Tang, Min; Cheetham, Anthony K.","Dimensionality Trends in Metal−Organic Frameworks Containing Perfluorinated or Nonfluorinated Benzenedicarboxylates","Crystal Growth & Design","2010","10","5","2041","","10.1021/cg100121n","","","0.71073","MoKα","","0.1389","0.0747","","","0.1458","0.1788","","","","","","1.032","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501585","9.9546","0.0013","17.648","0.002","13.5573","0.0016","90","","99.334","0.003","90","","2350.2","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 F4 N3 Ni O4 -","- C26 H18 F4 N3 Ni O4 -","- C104 H72 F16 N12 Ni4 O16 -","4","1","","Hulvey, Zeric; Furman, Joshua D.; Turner, Sara A.; Tang, Min; Cheetham, Anthony K.","Dimensionality Trends in Metal−Organic Frameworks Containing Perfluorinated or Nonfluorinated Benzenedicarboxylates","Crystal Growth & Design","2010","10","5","2041","","10.1021/cg100121n","","","0.71073","MoKα","","0.1323","0.0772","","","0.1396","0.16","","","","","","1.057","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501586","30.939","0.007","10.454","0.002","17.214","0.004","90","","119.258","0.003","90","","4857.4","1.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 F4 N3 O4 Zn -","- C26 H18 F4 N3 O4 Zn -","- C208 H144 F32 N24 O32 Zn8 -","8","1","","Hulvey, Zeric; Furman, Joshua D.; Turner, Sara A.; Tang, Min; Cheetham, Anthony K.","Dimensionality Trends in Metal−Organic Frameworks Containing Perfluorinated or Nonfluorinated Benzenedicarboxylates","Crystal Growth & Design","2010","10","5","2041","","10.1021/cg100121n","","","0.71073","MoKα","","0.087","0.0564","","","0.1139","0.1275","","","","","","1.076","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501587","10.395","0.003","11.79","0.003","13.331","0.003","102.902","0.004","110.679","0.004","107.159","0.004","1359","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H36 F12 N6 O12 Zn3 -","- C60 H36 F12 N6 O12 Zn3 -","- C60 H36 F12 N6 O12 Zn3 -","1","0.5","","Hulvey, Zeric; Furman, Joshua D.; Turner, Sara A.; Tang, Min; Cheetham, Anthony K.","Dimensionality Trends in Metal−Organic Frameworks Containing Perfluorinated or Nonfluorinated Benzenedicarboxylates","Crystal Growth & Design","2010","10","5","2041","","10.1021/cg100121n","","","0.71073","MoKα","","0.129","0.0698","","","0.1473","0.1768","","","","","","1.014","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501588","21.015","0.002","21.015","0.002","21.015","0.002","90","","90","","90","","9280.9","1.5","298","2","298","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- C9 H29 Mn7.5 N45 O14.5 S2 -","- C12 H26 Mn7.5 N42 O14.5 S2 -","- C96 H208 Mn60 N336 O116 S16 -","8","0.166667","","Wang, Tian-Wei; Liu, Dong-Sheng; Huang, Chang-Cang; Sui, Yan; Huang, Xi-He; Chen, Jian-Zhong; You, Xiao-Zeng","Syntheses, Crystal Structures, and Magnetic Properties of Two Mn(II) Coordination Polymers Based on the 5-Aminotetrazole Ligand: Effect of Sources of Ligand on Construction of Topological Networks","Crystal Growth & Design","2010","10","8","3429","","10.1021/cg100127w","","","0.71073","MoKα","","0.0419","0.0419","","","0.1307","0.1307","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501589","9.24","0.0018","6.9128","0.0014","16.095","0.003","90","","90","","90","","1028.1","0.3","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C H5.5 Mn2 N5 O6.25 S -","- C H6 Mn2 N5 O6.25 S -","- C4 H24 Mn8 N20 O25 S4 -","4","0.5","","Wang, Tian-Wei; Liu, Dong-Sheng; Huang, Chang-Cang; Sui, Yan; Huang, Xi-He; Chen, Jian-Zhong; You, Xiao-Zeng","Syntheses, Crystal Structures, and Magnetic Properties of Two Mn(II) Coordination Polymers Based on the 5-Aminotetrazole Ligand: Effect of Sources of Ligand on Construction of Topological Networks","Crystal Growth & Design","2010","10","8","3429","","10.1021/cg100127w","","","0.71073","MoKα","","0.0379","0.0375","","","0.1271","0.1279","","","","","","1.093","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501590","9.736","0.004","9.736","0.004","7.223","0.003","90","","90","","120","","592.9","0.4","223.1","","","","","","","","","","","4","P 63","P 6c","173","","","","- C9 H21 O4 P -","- C9 H21 O4 P -","- C18 H42 O8 P2 -","2","0.333333","","Durrell, Alec C.; Gray, Harry B.; Hazari, Nilay; Incarvito, Christopher D.; Liu, Jian; Yan, Elsa C. Y.","Tris(hydroxypropyl)phosphine Oxide: A Chiral Three-Dimensional Material with Nonlinear Optical Properties","Crystal Growth & Design","2010","10","4","1482","","10.1021/cg1001286","","","0.71075","MoKα","","","0.0301","","","","0.0697","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501591","26.386","0.002","9.7824","0.0009","14.8774","0.0014","90","","101.541","0.001","90","","3762.5","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H13 N3 O9 Zn -","- C19 H13 N3 O9 Zn -","- C152 H104 N24 O72 Zn8 -","8","1","","Ma, Lu-Fang; Li, Cheng-Peng; Wang, Li-Ya; Du, Miao","Zn(II) and Cd(II) Coordination Polymers Assembled from a Versatile Tecton 5-Nitro-1,2,3-benzenetricarboxylic Acid andN,N′-Donor Ancillary Coligands","Crystal Growth & Design","2010","10","6","2641","","10.1021/cg100139p","","","0.71073","MoKα","","0.034","0.0276","","","0.0705","0.0748","","","","","","1.001","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501592","14.5435","0.0012","23.86","0.002","11.7516","0.001","90","","90.37","0.001","90","","4077.8","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H24 Cd3 N6 O18 -","- C38 H24 Cd3 N6 O18 -","- C152 H96 Cd12 N24 O72 -","4","0.5","","Ma, Lu-Fang; Li, Cheng-Peng; Wang, Li-Ya; Du, Miao","Zn(II) and Cd(II) Coordination Polymers Assembled from a Versatile Tecton 5-Nitro-1,2,3-benzenetricarboxylic Acid andN,N′-Donor Ancillary Coligands","Crystal Growth & Design","2010","10","6","2641","","10.1021/cg100139p","","","0.71073","MoKα","","0.018","0.0168","","","0.0436","0.0444","","","","","","1.072","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501593","9.9286","0.0008","28.491","0.002","14.9067","0.0012","90","","93.613","0.001","90","","4208.4","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H28 Cd3 N6 O16 -","- C42 H28 Cd3 N6 O16 -","- C168 H112 Cd12 N24 O64 -","4","1","","Ma, Lu-Fang; Li, Cheng-Peng; Wang, Li-Ya; Du, Miao","Zn(II) and Cd(II) Coordination Polymers Assembled from a Versatile Tecton 5-Nitro-1,2,3-benzenetricarboxylic Acid andN,N′-Donor Ancillary Coligands","Crystal Growth & Design","2010","10","6","2641","","10.1021/cg100139p","","","0.71073","MoKα","","0.0261","0.0231","","","0.0537","0.0552","","","","","","1.068","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501594","18.543","0.003","11.3866","0.0016","26.959","0.004","90","","90","","90","","5692.2","1.5","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C27 H25 N4 O11 Zn2 -","- C27 H25 N4 O11 Zn2 -","- C216 H200 N32 O88 Zn16 -","8","1","","Ma, Lu-Fang; Li, Cheng-Peng; Wang, Li-Ya; Du, Miao","Zn(II) and Cd(II) Coordination Polymers Assembled from a Versatile Tecton 5-Nitro-1,2,3-benzenetricarboxylic Acid andN,N′-Donor Ancillary Coligands","Crystal Growth & Design","2010","10","6","2641","","10.1021/cg100139p","","","0.71073","MoKα","","0.0759","0.0588","","","0.2256","0.2536","","","","","","1.064","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501595","19.016","0.003","23.278","0.003","12.1307","0.0018","90","","120.778","0.001","90","","4613.4","1.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 N6 O18 Zn3 -","- C44 H36 N6 O18 Zn3 -","- C176 H144 N24 O72 Zn12 -","4","0.5","","Ma, Lu-Fang; Li, Cheng-Peng; Wang, Li-Ya; Du, Miao","Zn(II) and Cd(II) Coordination Polymers Assembled from a Versatile Tecton 5-Nitro-1,2,3-benzenetricarboxylic Acid andN,N′-Donor Ancillary Coligands","Crystal Growth & Design","2010","10","6","2641","","10.1021/cg100139p","","","0.71073","MoKα","","0.0288","0.0228","","","0.0587","0.0619","","","","","","1.037","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501596","8.117","0.0009","10.0984","0.0011","17.2334","0.0018","85","0.001","85.161","0.001","70.801","0.001","1326.6","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H43 Cd3 N8 O26.5 S2 -","- C40 H38 Cd3 N8 O26.5 S2 -","- C40 H38 Cd3 N8 O26.5 S2 -","1","0.5","","Li, Cheng-Peng; Yu, Qian; Chen, Jing; Du, Miao","Supramolecular Coordination Complexes with 5-Sulfoisophthalic Acid and 2,5-Bipyridyl-1,3,4-Oxadiazole: Specific Sensitivity to Acidity for Cd(II) Species","Crystal Growth & Design","2010","10","6","2650","","10.1021/cg100144p","","","0.71073","MoKα","","0.036","0.029","","","0.0747","0.0814","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4501597","8.039","0.002","30.041","0.008","10.131","0.003","90","","109.934","0.004","90","","2300","1.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cd N4 O11 S -","- C20 H18 Cd N4 O11 S -","- C80 H72 Cd4 N16 O44 S4 -","4","1","","Li, Cheng-Peng; Yu, Qian; Chen, Jing; Du, Miao","Supramolecular Coordination Complexes with 5-Sulfoisophthalic Acid and 2,5-Bipyridyl-1,3,4-Oxadiazole: Specific Sensitivity to Acidity for Cd(II) Species","Crystal Growth & Design","2010","10","6","2650","","10.1021/cg100144p","","","0.71073","MoKα","","0.043","0.0305","","","0.0608","0.0652","","","","","","1.012","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501598","7.061","0.0004","20.6832","0.0011","21.1487","0.0011","90","","96.811","0.001","90","","3066.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H66 Cd3 N8 O38 S2 -","- C40 H66 Cd3 N8 O38 S2 -","- C80 H132 Cd6 N16 O76 S4 -","2","0.5","","Li, Cheng-Peng; Yu, Qian; Chen, Jing; Du, Miao","Supramolecular Coordination Complexes with 5-Sulfoisophthalic Acid and 2,5-Bipyridyl-1,3,4-Oxadiazole: Specific Sensitivity to Acidity for Cd(II) Species","Crystal Growth & Design","2010","10","6","2650","","10.1021/cg100144p","","","0.71073","MoKα","","0.0328","0.0291","","","0.0829","0.0851","","","","","","1.053","","","","has coordinates,has disorder","179546","2020-10-21","18:00:00",""
"4501599","7.5981","0.0005","8.0697","0.0005","19.6183","0.0013","83.022","0.001","86.303","0.001","67.154","0.001","1100.11","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H34 Cd N8 O20 S2 -","- C40 H34 Cd N8 O20 S2 -","- C40 H34 Cd N8 O20 S2 -","1","0.5","","Li, Cheng-Peng; Yu, Qian; Chen, Jing; Du, Miao","Supramolecular Coordination Complexes with 5-Sulfoisophthalic Acid and 2,5-Bipyridyl-1,3,4-Oxadiazole: Specific Sensitivity to Acidity for Cd(II) Species","Crystal Growth & Design","2010","10","6","2650","","10.1021/cg100144p","","","0.71073","MoKα","","0.0282","0.026","","","0.0649","0.067","","","","","","1.091","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501600","13.5011","0.0004","13.9721","0.0004","21.2118","0.0007","90","","94.339","0.001","90","","3989.9","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H68 Co3 N16 O29 S2 -","- C68 H66 Co3 N16 O29 S2 -","- C136 H132 Co6 N32 O58 S4 -","2","0.5","","Li, Cheng-Peng; Yu, Qian; Chen, Jing; Du, Miao","Supramolecular Coordination Complexes with 5-Sulfoisophthalic Acid and 2,5-Bipyridyl-1,3,4-Oxadiazole: Specific Sensitivity to Acidity for Cd(II) Species","Crystal Growth & Design","2010","10","6","2650","","10.1021/cg100144p","","","0.71073","MoKα","","0.042","0.0349","","","0.0962","0.1014","","","","","","1.096","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501601","7.021","0.002","20.296","0.007","20.82","0.007","90","","97.699","0.006","90","","2940.1","1.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H66 Co3 N8 O38 S2 -","- C40 H66 Co3 N8 O38 S2 -","- C80 H132 Co6 N16 O76 S4 -","2","0.5","","Li, Cheng-Peng; Yu, Qian; Chen, Jing; Du, Miao","Supramolecular Coordination Complexes with 5-Sulfoisophthalic Acid and 2,5-Bipyridyl-1,3,4-Oxadiazole: Specific Sensitivity to Acidity for Cd(II) Species","Crystal Growth & Design","2010","10","6","2650","","10.1021/cg100144p","","","0.71073","MoKα","","0.0585","0.0364","","","0.0799","0.0895","","","","","","1.005","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501602","13.503","0.003","13.852","0.003","21.216","0.004","90","","94.375","0.004","90","","3956.8","1.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H68 N16 Ni3 O29 S2 -","- C68 H66 N16 Ni3 O29 S2 -","- C136 H132 N32 Ni6 O58 S4 -","2","0.5","","Li, Cheng-Peng; Yu, Qian; Chen, Jing; Du, Miao","Supramolecular Coordination Complexes with 5-Sulfoisophthalic Acid and 2,5-Bipyridyl-1,3,4-Oxadiazole: Specific Sensitivity to Acidity for Cd(II) Species","Crystal Growth & Design","2010","10","6","2650","","10.1021/cg100144p","","","0.71073","MoKα","","0.0974","0.0512","","","0.1187","0.1367","","","","","","1.106","","","","has coordinates,has disorder","179547","2020-10-21","18:00:00",""
"4501603","11.427","0.0004","14.3404","0.0005","15.1217","0.0006","89.392","0.001","82.79","0.001","84.044","0.001","2445.09","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H78 N16 O47 Pb4 S4 -","- C80 H76 N16 O47 Pb4 S4 -","- C80 H76 N16 O47 Pb4 S4 -","1","0.5","","Li, Cheng-Peng; Yu, Qian; Chen, Jing; Du, Miao","Supramolecular Coordination Complexes with 5-Sulfoisophthalic Acid and 2,5-Bipyridyl-1,3,4-Oxadiazole: Specific Sensitivity to Acidity for Cd(II) Species","Crystal Growth & Design","2010","10","6","2650","","10.1021/cg100144p","","","0.71073","MoKα","","0.0287","0.0236","","","0.0555","0.0577","","","","","","1.071","","","","has coordinates,has disorder","179547","2020-10-21","18:00:00",""
"4501604","13.9853","0.0015","5.3995","0.0014","5.154","0.004","111.471","0.006","96.76","0.008","86.579","0.007","359.6","0.3","296.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C12 H26 N2 O4 -","2","1","","Iwama, Sekai; Horiguchi, Masahiro; Sato, Hiroyasu; Uchida, Yoshiaki; Takahashi, Hiroki; Tsue, Hirohito; Tamura, Rui","Observation of the Preferential Enrichment Phenomenon for Essential α-Amino Acids with a Racemic Crystal Structure","Crystal Growth & Design","2010","10","6","2668","","10.1021/cg100152c","","","0.71075","MoKα","","","0.0783","","","","0.2338","","","","","","1.126","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501605","12.0067","0.0016","6.029","0.0006","5.8318","0.0006","90","","90","","90","","422.15","0.08","293.1","","293.1","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Iwama, Sekai; Horiguchi, Masahiro; Sato, Hiroyasu; Uchida, Yoshiaki; Takahashi, Hiroki; Tsue, Hirohito; Tamura, Rui","Observation of the Preferential Enrichment Phenomenon for Essential α-Amino Acids with a Racemic Crystal Structure","Crystal Growth & Design","2010","10","6","2668","","10.1021/cg100152c","","","0.71075","MoKα","","","0.0469","","","","0.1163","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501606","15.1946","0.0015","17.6866","0.0017","9.0803","0.0009","90","","90","","90","","2440.2","0.4","291","2","291","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C41 H36 Cd2 N4 O16 -","- C41 H36 Cd2 N4 O16 -","- C82 H72 Cd4 N8 O32 -","2","0.5","","Hu, Jin-Song; Shang, Yong-Jia; Yao, Xiao-qiang; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen; Xue, Zi-Ling","Syntheses, Structures, and Photoluminescence of Five New Metal−Organic Frameworks Based on Flexible Tetrapyridines and Aromatic Polycarboxylate Acids","Crystal Growth & Design","2010","10","6","2676","","10.1021/cg1001557","","","0.71073","MoKα","","0.0552","0.0506","","","0.1515","0.1548","","","","","","1.094","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501607","15.2269","0.0015","17.7296","0.0017","9.0861","0.0009","90","","90","","90","","2452.9","0.4","291","2","291","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C41 H36 Cd2 N4 O16 -","- C41 H36 Cd2 N4 O16 -","- C82 H72 Cd4 N8 O32 -","2","0.5","","Hu, Jin-Song; Shang, Yong-Jia; Yao, Xiao-qiang; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen; Xue, Zi-Ling","Syntheses, Structures, and Photoluminescence of Five New Metal−Organic Frameworks Based on Flexible Tetrapyridines and Aromatic Polycarboxylate Acids","Crystal Growth & Design","2010","10","6","2676","","10.1021/cg1001557","","","0.71073","MoKα","","0.0709","0.0577","","","0.1142","0.1169","","","","","","1.083","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501608","10.3376","0.0011","9.4092","0.001","24.353","0.003","90","","93.978","0.002","90","","2363.1","0.5","273","2","273","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C41 H36 Co2 N4 O16 -","- C41 H36 Co2 N4 O16 -","- C82 H72 Co4 N8 O32 -","2","0.5","","Hu, Jin-Song; Shang, Yong-Jia; Yao, Xiao-qiang; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen; Xue, Zi-Ling","Syntheses, Structures, and Photoluminescence of Five New Metal−Organic Frameworks Based on Flexible Tetrapyridines and Aromatic Polycarboxylate Acids","Crystal Growth & Design","2010","10","6","2676","","10.1021/cg1001557","","","0.71073","MoKα","","0.0604","0.0547","","","0.1546","0.1589","","","","","","1.064","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501609","9.0163","0.0009","21.223","0.002","20.527","0.002","90","","90.549","0.002","90","","3927.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H34 N4 O13 Zn2 -","- C41 H34 N4 O13 Zn2 -","- C164 H136 N16 O52 Zn8 -","4","1","","Hu, Jin-Song; Shang, Yong-Jia; Yao, Xiao-qiang; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen; Xue, Zi-Ling","Syntheses, Structures, and Photoluminescence of Five New Metal−Organic Frameworks Based on Flexible Tetrapyridines and Aromatic Polycarboxylate Acids","Crystal Growth & Design","2010","10","6","2676","","10.1021/cg1001557","","","0.71073","MoKα","","0.0803","0.049","","","0.092","0.1004","","","","","","0.923","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501610","9.3046","0.0011","25.778","0.003","20.4387","0.0018","90","","106.475","0.004","90","","4701","0.9","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H40 N4 O16 Zn2 -","- C41 H40 N4 O16 Zn2 -","- C164 H160 N16 O64 Zn8 -","4","0.5","","Hu, Jin-Song; Shang, Yong-Jia; Yao, Xiao-qiang; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen; Xue, Zi-Ling","Syntheses, Structures, and Photoluminescence of Five New Metal−Organic Frameworks Based on Flexible Tetrapyridines and Aromatic Polycarboxylate Acids","Crystal Growth & Design","2010","10","6","2676","","10.1021/cg1001557","","","0.71073","MoKα","","0.1009","0.0726","","","0.1924","0.2091","","","","","","1.048","","","","has coordinates,has disorder","179547","2020-10-21","18:00:00",""
"4501611","14.5739","0.0011","20.8969","0.0015","32.497","0.003","90","","90","","90","","9896.9","1.4","293","2","293","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C44 H38 Cd2 N5 O13 -","- C44 H38 Cd2 N5 O13 -","- C352 H304 Cd16 N40 O104 -","8","0.5","","Hu, Jin-Song; Shang, Yong-Jia; Yao, Xiao-qiang; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen; Xue, Zi-Ling","Syntheses, Structures, and Photoluminescence of Five New Metal−Organic Frameworks Based on Flexible Tetrapyridines and Aromatic Polycarboxylate Acids","Crystal Growth & Design","2010","10","6","2676","","10.1021/cg1001557","","","0.71073","MoKα","","0.0402","0.0381","","","0.0963","0.0977","","","","","","1.181","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501612","16.892","0.003","15.722","0.002","5.8595","0.0009","90","","106.112","0.002","90","","1495","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cu3 N2 O10 -","- C12 H10 Cu3 N2 O10 -","- C48 H40 Cu12 N8 O40 -","4","0.5","","Ji, Bao-Ming; Deng, Dong-Sheng; Lan, Hong-Hong; Du, Chen-Xia; Pan, Shi-Lie; Liu, Bin","A Novel 3D Porous Cu(II)-Based Metal−Organic Framework Built from H4hbpdc Ligand: Synthesis, Structure, and Magnetic Characterization (H4hbpdc = 3,3′-Dihydroxy-2,2′-bipyridine-6,6′-dicarboxylic)","Crystal Growth & Design","2010","10","7","2851","","10.1021/cg1001573","","","0.71073","MoKα","","0.0307","0.0244","","","0.0611","0.0646","","","","","","1.029","","","","has coordinates,has disorder","179547","2020-10-21","18:00:00",""
"4501613","16.8712","0.001","23.3371","0.0015","23.105","0.0015","90","","98.551","0.003","90","","8995.9","1","90","0.5","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H120 N8 O30 S9 -","- C72 H120 N8 O30 S9 -","- C288 H480 N32 O120 S36 -","4","1","","Saeed, Musabbir A.; Wong, Bryan M.; Fronczek, Frank R.; Venkatraman, Ramaiyer; Hossain, Md Alamgir","Formation of an Amine-Water Cyclic Pentamer: A New Type of Water Cluster in a Polyazacryptand.","Crystal growth & design","2010","10","4","1486","1488","10.1021/cg100161a","","","0.71073","MoKα","","0.0928","0.0534","","","0.1259","0.1413","","","","","","1.047","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501614","5.3353","0.0004","8.7009","0.0006","19.947","0.0017","90","","90","","90","","925.98","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 N2 O2 -","- C9 H12 N2 O2 -","- C36 H48 N8 O8 -","4","1","","Li, Xinfa; Liu, Tianfu; Hu, Bing; Li, Guoliang; Zhang, Hui; Cao, Rong","Homochiral Supramolecular Compounds Constructed from Amino Acid Derivatives: Syntheses, Structures, Chiroptical, and Photoluminescence Properties","Crystal Growth & Design","2010","10","7","3051","","10.1021/cg100163g","","","0.71073","MoKα","","0.0388","0.036","","","0.0794","0.0812","","","","","","1.005","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501615","5.3333","0.0005","8.6902","0.0007","19.9335","0.0017","90","","90","","90","","923.87","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 N2 O2 -","- C9 H12 N2 O2 -","- C36 H48 N8 O8 -","4","1","","Li, Xinfa; Liu, Tianfu; Hu, Bing; Li, Guoliang; Zhang, Hui; Cao, Rong","Homochiral Supramolecular Compounds Constructed from Amino Acid Derivatives: Syntheses, Structures, Chiroptical, and Photoluminescence Properties","Crystal Growth & Design","2010","10","7","3051","","10.1021/cg100163g","","","0.71073","MoKα","","0.0664","0.043","","","0.0906","0.1032","","","","","","1.017","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501616","5.6058","0.0001","19.5188","0.0001","18.5656","0.0004","90","","90","","90","","2031.42","0.06","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C18 H24 N4 O5 Zn -","- C18 H24 N4 O5 Zn -","- C72 H96 N16 O20 Zn4 -","4","0.5","","Li, Xinfa; Liu, Tianfu; Hu, Bing; Li, Guoliang; Zhang, Hui; Cao, Rong","Homochiral Supramolecular Compounds Constructed from Amino Acid Derivatives: Syntheses, Structures, Chiroptical, and Photoluminescence Properties","Crystal Growth & Design","2010","10","7","3051","","10.1021/cg100163g","","","0.71073","MoKα","","0.0464","0.0431","","","0.0953","0.0973","","","","","","1.035","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501617","5.607","0.002","19.511","0.008","18.564","0.008","90","","90","","90","","2030.9","1.4","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C18 H24 N4 O5 Zn -","- C18 H24 N4 O5 Zn -","- C72 H96 N16 O20 Zn4 -","4","0.5","","Li, Xinfa; Liu, Tianfu; Hu, Bing; Li, Guoliang; Zhang, Hui; Cao, Rong","Homochiral Supramolecular Compounds Constructed from Amino Acid Derivatives: Syntheses, Structures, Chiroptical, and Photoluminescence Properties","Crystal Growth & Design","2010","10","7","3051","","10.1021/cg100163g","","","0.71073","MoKα","","0.0256","0.0238","","","0.0476","0.0482","","","","","","1.003","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501618","37.382","0.002","11.1611","0.0005","15.484","0.0009","90","","93.917","0.003","90","","6445.2","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H66 Cu3 N14 O28 -","- C48 H66 Cu3 N14 O28 -","- C192 H264 Cu12 N56 O112 -","4","0.5","","Li, Xinfa; Liu, Tianfu; Hu, Bing; Li, Guoliang; Zhang, Hui; Cao, Rong","Homochiral Supramolecular Compounds Constructed from Amino Acid Derivatives: Syntheses, Structures, Chiroptical, and Photoluminescence Properties","Crystal Growth & Design","2010","10","7","3051","","10.1021/cg100163g","","","0.71073","MoKα","","0.0772","0.0732","","","0.1727","0.1749","","","","","","1.026","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501619","19.891","0.003","24.552","0.005","29.286","0.006","90","","90","","90","","14302","5","294.15","","294.15","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C66 H54 O27 Zn4 -","- C66 H48 O27 Zn4 -","- C528 H384 O216 Zn32 -","8","0.5","","Liu, Tian-Fu; Lü, Jian; Guo, Zhengang; Proserpio, Davide M.; Cao, Rong","New Metal−Organic Framework with Uninodal 4-Connected Topology Displaying Interpenetration, Self-Catenation, and Second-Order Nonlinear Optical Response","Crystal Growth & Design","2010","10","4","1489","","10.1021/cg100174h","","","0.71073","MoKα","","0.097","0.0838","","","0.2245","0.2407","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501620","10.623","0.01","15.981","0.015","18.56","0.018","85.664","0.019","83.485","0.017","84.97","0.02","3112","5","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H64 N16 O11 -","- C64 H64 N16 O11 -","- C128 H128 N32 O22 -","2","1","","Ji, Bao-Ming; Deng, Dong-Sheng; Ma, Ning; Miao, Shao-Bin; Yang, Xiao-Gang; Ji, Li-Guo; Du, Miao","Multicomponent Hydrogen-Bonding Salts Constructed from Tris(2-benzimidazylmethyl)amine and Various Carboxylic Acids: Role of Benzimidazolium-Carboxylate Supramolecular Heterosynthons on Network Assembly","Crystal Growth & Design","2010","10","7","3060","","10.1021/cg100177n","","","0.71073","MoKα","","0.0932","0.0669","","","0.1969","0.2209","","","","","","1.053","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501621","11.266","0.004","13.668","0.005","25.863","0.009","95.732","0.004","97.208","0.004","106.332","0.004","3753","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C78 H80 N16 O12 -","- C78 H82 N16 O12 -","- C156 H164 N32 O24 -","2","1","","Ji, Bao-Ming; Deng, Dong-Sheng; Ma, Ning; Miao, Shao-Bin; Yang, Xiao-Gang; Ji, Li-Guo; Du, Miao","Multicomponent Hydrogen-Bonding Salts Constructed from Tris(2-benzimidazylmethyl)amine and Various Carboxylic Acids: Role of Benzimidazolium-Carboxylate Supramolecular Heterosynthons on Network Assembly","Crystal Growth & Design","2010","10","7","3060","","10.1021/cg100177n","","","0.71073","MoKα","","0.0862","0.0489","","","0.1203","0.1444","","","","","","1.009","","","","has coordinates,has disorder","179547","2020-10-21","18:00:00",""
"4501622","11.34","0.003","13.87","0.003","23.786","0.006","82.975","0.003","81.666","0.003","70.995","0.003","3488.6","1.5","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C73 H77 N17 O12 -","- C73 H77 N17 O12 -","- C146 H154 N34 O24 -","2","1","","Ji, Bao-Ming; Deng, Dong-Sheng; Ma, Ning; Miao, Shao-Bin; Yang, Xiao-Gang; Ji, Li-Guo; Du, Miao","Multicomponent Hydrogen-Bonding Salts Constructed from Tris(2-benzimidazylmethyl)amine and Various Carboxylic Acids: Role of Benzimidazolium-Carboxylate Supramolecular Heterosynthons on Network Assembly","Crystal Growth & Design","2010","10","7","3060","","10.1021/cg100177n","","","0.71073","MoKα","","0.2556","0.078","","","0.1091","0.1571","","","","","","0.975","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501623","10.127","0.006","10.975","0.007","13.919","0.008","98.512","0.008","109.13","0.007","93.757","0.008","1434.7","1.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H62 N16 O6 -","- C62 H62 N16 O6 -","- C62 H62 N16 O6 -","1","0.5","","Ji, Bao-Ming; Deng, Dong-Sheng; Ma, Ning; Miao, Shao-Bin; Yang, Xiao-Gang; Ji, Li-Guo; Du, Miao","Multicomponent Hydrogen-Bonding Salts Constructed from Tris(2-benzimidazylmethyl)amine and Various Carboxylic Acids: Role of Benzimidazolium-Carboxylate Supramolecular Heterosynthons on Network Assembly","Crystal Growth & Design","2010","10","7","3060","","10.1021/cg100177n","","","0.71073","MoKα","","0.1286","0.0833","","","0.2077","0.2512","","","","","","1.019","","","","has coordinates,has disorder","179547","2020-10-21","18:00:00",""
"4501624","10.161","0.005","11.541","0.005","25.147","0.011","88.272","0.006","85.437","0.006","87.162","0.006","2935","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H62 N16 O6 -","- C62 H62 N16 O6 -","- C124 H124 N32 O12 -","2","1","","Ji, Bao-Ming; Deng, Dong-Sheng; Ma, Ning; Miao, Shao-Bin; Yang, Xiao-Gang; Ji, Li-Guo; Du, Miao","Multicomponent Hydrogen-Bonding Salts Constructed from Tris(2-benzimidazylmethyl)amine and Various Carboxylic Acids: Role of Benzimidazolium-Carboxylate Supramolecular Heterosynthons on Network Assembly","Crystal Growth & Design","2010","10","7","3060","","10.1021/cg100177n","","","0.71073","MoKα","","0.1464","0.0998","","","0.266","0.3028","","","","","","1.021","","","","has coordinates,has disorder","179547","2020-10-21","18:00:00",""
"4501625","24.957","0.005","13.252","0.003","19.669","0.004","90","","90","","90","","6505","2","291","2","291","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C34.5 H32.5 N7.5 O7.5 -","- C34.5 H32.5 N7.5 O7.5 -","- C276 H260 N60 O60 -","8","1","","Ji, Bao-Ming; Deng, Dong-Sheng; Ma, Ning; Miao, Shao-Bin; Yang, Xiao-Gang; Ji, Li-Guo; Du, Miao","Multicomponent Hydrogen-Bonding Salts Constructed from Tris(2-benzimidazylmethyl)amine and Various Carboxylic Acids: Role of Benzimidazolium-Carboxylate Supramolecular Heterosynthons on Network Assembly","Crystal Growth & Design","2010","10","7","3060","","10.1021/cg100177n","","","0.71073","MoKα","","0.1303","0.0739","","","0.1929","0.2426","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4501626","10.623","0.01","15.981","0.015","18.56","0.018","85.664","0.019","83.485","0.017","84.97","0.02","3112","5","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H64 N16 O11 -","- C64 H64 N16 O11 -","- C128 H128 N32 O22 -","2","1","","Ji, Bao-Ming; Deng, Dong-Sheng; Ma, Ning; Miao, Shao-Bin; Yang, Xiao-Gang; Ji, Li-Guo; Du, Miao","Multicomponent Hydrogen-Bonding Salts Constructed from Tris(2-benzimidazylmethyl)amine and Various Carboxylic Acids: Role of Benzimidazolium-Carboxylate Supramolecular Heterosynthons on Network Assembly","Crystal Growth & Design","2010","10","7","3060","","10.1021/cg100177n","","","0.71073","MoKα","","0.0879","0.0639","","","0.1929","0.2101","","","","","","1.071","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501627","12.482","0.004","11.464","0.004","23.561","0.008","90","","93.501","0.006","90","","3365","2","273","2","273","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","organotin sulfonate","","","- C26 H44 O8 S2 Sn2 -","- C26 H34 O8 S2 Sn2 -","- C104 H136 O32 S8 Sn8 -","4","0.5","","Chandrasekhar, Vadapalli; Singh, Puja","In Situ Generated Hydrated Diorganotin Cations as Synthons for Hydrogen-Bonded and Coordination-Driven 1D-, 2D-, and 3D-Assemblies","Crystal Growth & Design","2010","10","7","3077","","10.1021/cg100179q","","","0.71073","MoKα","","0.0883","0.0712","","","0.2063","0.2221","","","","","","1.143","","","","has coordinates,has disorder","179547","2020-10-21","18:00:00",""
"4501628","7.586","0.005","9.937","0.005","13.658","0.005","91.602","0.005","99.89","0.005","107.579","0.005","963.4","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","organotin sulfonate","","","- C38 H44 N4 O12 S2 Sn -","- C38 H44 N4 O12 S2 Sn -","- C38 H44 N4 O12 S2 Sn -","1","0.5","","Chandrasekhar, Vadapalli; Singh, Puja","In Situ Generated Hydrated Diorganotin Cations as Synthons for Hydrogen-Bonded and Coordination-Driven 1D-, 2D-, and 3D-Assemblies","Crystal Growth & Design","2010","10","7","3077","","10.1021/cg100179q","","","0.71069","MoKα","","0.0377","0.0342","","","0.0896","0.1057","","","","","","1.149","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501629","7.9839","0.0009","9.9867","0.0012","10.9059","0.0013","106.101","0.002","106.472","0.002","106.237","0.002","738.12","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","organotin sulfonate","","","- C28 H32 N2 O8 S2 Sn -","- C28 H14 N2 O8 S2 Sn -","- C28 H14 N2 O8 S2 Sn -","1","0.5","","Chandrasekhar, Vadapalli; Singh, Puja","In Situ Generated Hydrated Diorganotin Cations as Synthons for Hydrogen-Bonded and Coordination-Driven 1D-, 2D-, and 3D-Assemblies","Crystal Growth & Design","2010","10","7","3077","","10.1021/cg100179q","","","0.71073","MoKα","","0.047","0.0435","","","0.1234","0.1387","","","","","","1.157","","","","has coordinates,has disorder","179547","2020-10-21","18:00:00",""
"4501630","9.201","0.005","13.445","0.005","17.38","0.005","90.066","0.005","93.106","0.005","105.472","0.005","2068.8","1.5","293","2","100","2","","","","","","","","6","P -1","-P 1","2","organotin sulfonate","","","- C44 H48 O8 P2 S2 Sn -","- C44 H37 O8 P2 S2 Sn -","- C88 H74 O16 P4 S4 Sn2 -","2","1","","Chandrasekhar, Vadapalli; Singh, Puja","In Situ Generated Hydrated Diorganotin Cations as Synthons for Hydrogen-Bonded and Coordination-Driven 1D-, 2D-, and 3D-Assemblies","Crystal Growth & Design","2010","10","7","3077","","10.1021/cg100179q","","","0.71069","MoKα","","0.0897","0.0652","","","0.1678","0.1937","","","","","","1.058","","","","has coordinates,has disorder","179547","2020-10-21","18:00:00",""
"4501631","9.0055","0.0017","13.531","0.003","14.507","0.003","88.756","0.003","81.254","0.003","75.653","0.003","1692.4","0.6","273","2","273","2","","","","","","","","6","P -1","-P 1","2","organotin sulfonate","","","- C32 H32 N2 O12 S2 Sn -","- C32 H32 N2 O12 S2 Sn -","- C64 H64 N4 O24 S4 Sn2 -","2","1","","Chandrasekhar, Vadapalli; Singh, Puja","In Situ Generated Hydrated Diorganotin Cations as Synthons for Hydrogen-Bonded and Coordination-Driven 1D-, 2D-, and 3D-Assemblies","Crystal Growth & Design","2010","10","7","3077","","10.1021/cg100179q","","","0.71073","MoKα","","0.0657","0.0462","","","0.1131","0.1296","","","","","","1.031","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501632","22.765","0.005","13.306","0.005","17.78","0.005","90","0.005","111.187","0.005","90","0.005","5022","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","organotin sulfonate","","","- C44 H62 N4 O15 S2 Sn -","- C44 H52 N4 O15 S2 Sn -","- C176 H208 N16 O60 S8 Sn4 -","4","0.5","","Chandrasekhar, Vadapalli; Singh, Puja","In Situ Generated Hydrated Diorganotin Cations as Synthons for Hydrogen-Bonded and Coordination-Driven 1D-, 2D-, and 3D-Assemblies","Crystal Growth & Design","2010","10","7","3077","","10.1021/cg100179q","","","0.71069","MoKα","","0.0932","0.0532","","","0.1239","0.1623","","","","","","1.054","","","","has coordinates,has disorder","179547","2020-10-21","18:00:00",""
"4501633","22.376","0.002","7.6045","0.0008","30.762","0.003","90","","91.763","0.002","90","","5231.9","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","organotin sulfonate","","","- C54 H60 N4 O16 S4 Sn -","- C54 H60 N4 O16 S4 Sn -","- C216 H240 N16 O64 S16 Sn4 -","4","0.5","","Chandrasekhar, Vadapalli; Singh, Puja","In Situ Generated Hydrated Diorganotin Cations as Synthons for Hydrogen-Bonded and Coordination-Driven 1D-, 2D-, and 3D-Assemblies","Crystal Growth & Design","2010","10","7","3077","","10.1021/cg100179q","","","0.71073","MoKα","","0.0589","0.0441","","","0.1112","0.1229","","","","","","1.07","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501634","11.751","0.005","11.816","0.005","18.039","0.005","88.629","0.005","78.684","0.005","89.348","0.005","2455.3","1.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","organotin sulfonate","","","- C98 H128 O22 P4 S4 Sn3 -","- C98 H116 O22 P4 S4 Sn3 -","- C98 H116 O22 P4 S4 Sn3 -","1","0.5","","Chandrasekhar, Vadapalli; Singh, Puja","In Situ Generated Hydrated Diorganotin Cations as Synthons for Hydrogen-Bonded and Coordination-Driven 1D-, 2D-, and 3D-Assemblies","Crystal Growth & Design","2010","10","7","3077","","10.1021/cg100179q","","","0.71069","MoKα","","0.0975","0.0696","","","0.1868","0.2213","","","","","","1.073","","","","has coordinates,has disorder","179547","2020-10-21","18:00:00",""
"4501635","15.9172","0.0019","20.121","0.002","15.5682","0.0018","90","","109.276","0.002","90","","4706.5","0.9","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","organotin sulfonate","","","- C40 H60 N2 O15 S2 Sn2 -","- C40 H57 N2 O15 S2 Sn2 -","- C160 H228 N8 O60 S8 Sn8 -","4","1","","Chandrasekhar, Vadapalli; Singh, Puja","In Situ Generated Hydrated Diorganotin Cations as Synthons for Hydrogen-Bonded and Coordination-Driven 1D-, 2D-, and 3D-Assemblies","Crystal Growth & Design","2010","10","7","3077","","10.1021/cg100179q","","","0.71073","MoKα","","0.1066","0.0732","","","0.1827","0.235","","","","","","1.055","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501636","8.277","0.005","11.073","0.005","24.35","0.005","90","0.005","99.485","0.005","90","0.005","2201.2","1.7","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","organotin sulfonate","","","- C19 H27 N O7 S Sn -","- C19 H27 N O7 S Sn -","- C76 H108 N4 O28 S4 Sn4 -","4","1","","Chandrasekhar, Vadapalli; Singh, Puja","In Situ Generated Hydrated Diorganotin Cations as Synthons for Hydrogen-Bonded and Coordination-Driven 1D-, 2D-, and 3D-Assemblies","Crystal Growth & Design","2010","10","7","3077","","10.1021/cg100179q","","","0.71069","MoKα","","0.0379","0.0316","","","0.0728","0.0769","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501637","5.7749","0.0004","7.2971","0.0005","10.2251","0.0007","76.308","0.004","84.513","0.004","77.722","0.004","408.6","0.05","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C8 H11 O3.5 -","- C8 H11 O3.5 -","- C16 H22 O7 -","2","1","","Bernardes, Carlos E. S.; Piedade, M. Fátima M.; Minas da Piedade, Manuel E.","Structure and Energetics of a New Hydrate of 4′-Hydroxyacetophenone","Crystal Growth & Design","2010","10","7","3070","","10.1021/cg1001804","","","0.71073","MoKα","","0.0645","0.047","","","0.1426","0.1699","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501638","16.284","0.003","8.862","0.0018","16.829","0.003","90","","107.69","0.03","90","","2313.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H20 N12 O11 Zn3 -","- C13 H20 N12 O11 Zn3 -","- C52 H80 N48 O44 Zn12 -","4","1","","Zhang, Zhangjing; Xiang, Shengchang; Zheng, Qian; Rao, Xingtang; Mondal, Jalal U.; Arman, Hadi D.; Qian, Guodong; Chen, Banglin","A Rare Uninodal 9-Connected Metal−Organic Framework with Permanent Porosity","Crystal Growth & Design","2010","10","5","2372","","10.1021/cg100183y","","","0.71073","MoKα","","0.0337","0.0317","","","0.0836","0.0852","","","","","","1.054","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501639","16.1397","0.0014","8.7667","0.0005","16.9326","0.0015","90","","107.818","0.005","90","","2280.9","0.3","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H18 N12 O10 S Zn3 -","- C11 H12 N12 O10 S Zn3 -","- C44 H48 N48 O40 S4 Zn12 -","4","1","","Zhang, Zhangjing; Xiang, Shengchang; Zheng, Qian; Rao, Xingtang; Mondal, Jalal U.; Arman, Hadi D.; Qian, Guodong; Chen, Banglin","A Rare Uninodal 9-Connected Metal−Organic Framework with Permanent Porosity","Crystal Growth & Design","2010","10","5","2372","","10.1021/cg100183y","","","1.54178","CuKα","","0.0307","0.0292","","","0.0768","0.0778","","","","","","1.065","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501640","8.026","0.0006","11.9102","0.0009","12.2806","0.0009","68.282","0.004","76.974","0.004","81.013","0.004","1059.08","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H24 N2 O7 S -","- C19 H24 N2 O7 S -","- C38 H48 N4 O14 S2 -","2","1","","Klimakow, Maria; Rademann, Klaus; Emmerling, Franziska","Toward Novel Pseudo-Polymorphs of Nifedipine: Elucidation of a Slow Crystallization Process","Crystal Growth & Design","2010","10","6","2693","","10.1021/cg100186v","","","0.71073","MoKα","","0.098","0.0505","","","0.1292","0.1475","","","","","","0.948","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501641","7.4853","0.0013","17.211","0.003","8.5448","0.0015","90","","110.838","0.003","90","","1028.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 N2 O9 Pr -","- C6 H8 N2 O9 Pr -","- C24 H32 N8 O36 Pr4 -","4","1","","Lu, Wen-Guan; Jiang, Long; Lu, Tong-Bu","Lanthanide Contraction and Temperature-Dependent Structures of Lanthanide Coordination Polymers with Imidazole-4,5-Dicarboxylate and Oxalate","Crystal Growth & Design","2010","10","10","4310","","10.1021/cg100196j","","","0.71073","MoKα","","0.0411","0.0287","","","0.0707","0.0756","","","","","","1.165","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501642","7.4725","0.0011","17.173","0.003","8.5294","0.0012","90","","110.873","0.002","90","","1022.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 N2 Nd O9 -","- C6 H8 N2 Nd O9 -","- C24 H32 N8 Nd4 O36 -","4","1","","Lu, Wen-Guan; Jiang, Long; Lu, Tong-Bu","Lanthanide Contraction and Temperature-Dependent Structures of Lanthanide Coordination Polymers with Imidazole-4,5-Dicarboxylate and Oxalate","Crystal Growth & Design","2010","10","10","4310","","10.1021/cg100196j","","","0.71073","MoKα","","0.043","0.0274","","","0.0563","0.0701","","","","","","1.153","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501643","22.32","0.01","7.131","0.003","14.065","0.007","90","","110.119","0.008","90","","2102","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 N2 O9 Tb -","- C6 H8 N2 O9 Tb -","- C48 H64 N16 O72 Tb8 -","8","1","","Lu, Wen-Guan; Jiang, Long; Lu, Tong-Bu","Lanthanide Contraction and Temperature-Dependent Structures of Lanthanide Coordination Polymers with Imidazole-4,5-Dicarboxylate and Oxalate","Crystal Growth & Design","2010","10","10","4310","","10.1021/cg100196j","","","0.71073","MoKα","","0.0381","0.0277","","","0.0637","0.0679","","","","","","1.068","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501644","22.01","0.005","6.7934","0.0016","13.362","0.003","90","","106.028","0.004","90","","1920.3","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 N2 O7 Pr -","- C6 H4 N2 O7 Pr -","- C48 H32 N16 O56 Pr8 -","8","1","","Lu, Wen-Guan; Jiang, Long; Lu, Tong-Bu","Lanthanide Contraction and Temperature-Dependent Structures of Lanthanide Coordination Polymers with Imidazole-4,5-Dicarboxylate and Oxalate","Crystal Growth & Design","2010","10","10","4310","","10.1021/cg100196j","","","0.71073","MoKα","","0.0412","0.028","","","0.0666","0.0715","","","","","","1.097","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501645","21.816","0.007","6.786","0.002","13.297","0.004","90","","106.049","0.005","90","","1891.8","1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 N2 Nd O7 -","- C6 H4 N2 Nd O7 -","- C48 H32 N16 Nd8 O56 -","8","1","","Lu, Wen-Guan; Jiang, Long; Lu, Tong-Bu","Lanthanide Contraction and Temperature-Dependent Structures of Lanthanide Coordination Polymers with Imidazole-4,5-Dicarboxylate and Oxalate","Crystal Growth & Design","2010","10","10","4310","","10.1021/cg100196j","","","0.71073","MoKα","","0.0432","0.0352","","","0.0836","0.0881","","","","","","1.022","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501646","21.911","0.012","6.74","0.004","13.188","0.007","90","","106.9","0.007","90","","1863.5","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 Eu N2 O7 -","- C6 H4 Eu N2 O7 -","- C48 H32 Eu8 N16 O56 -","8","1","","Lu, Wen-Guan; Jiang, Long; Lu, Tong-Bu","Lanthanide Contraction and Temperature-Dependent Structures of Lanthanide Coordination Polymers with Imidazole-4,5-Dicarboxylate and Oxalate","Crystal Growth & Design","2010","10","10","4310","","10.1021/cg100196j","","","0.71073","MoKα","","0.057","0.0339","","","0.0866","0.133","","","","","","1.149","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501647","17.028","0.0002","17.028","0.0002","23.1439","0.0006","90","","90","","90","","6710.6","0.2","293","2","293","2","","","","","","","","6","I 41/a m d :2","-I 4bd 2","141","","","","- C20 H38 Cu4 I4 N8 O3 -","- C20 H32 Cu4 I4 N8 O3 -","- C160 H256 Cu32 I32 N64 O24 -","8","0.25","","Zhang, Ying; Wu, Tao; Liu, Rui; Dou, Tao; Bu, Xianhui; Feng, Pingyun","Three-Dimensional Photoluminescent Frameworks Constructed from Size-Tunable CuI Clusters","Crystal Growth & Design","2010","10","5","2047","","10.1021/cg1001978","","","0.71073","MoKα","","0.0334","0.0228","","","0.0499","0.0546","","","","","","1.033","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501648","14.8153","0.0012","17.727","0.0016","26.627","0.002","90","","90","","90","","6993.1","1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C33 H64 Cu14 I14 N12 -","- C33 H64 Cu14 I14 N12 -","- C132 H256 Cu56 I56 N48 -","4","0.5","","Zhang, Ying; Wu, Tao; Liu, Rui; Dou, Tao; Bu, Xianhui; Feng, Pingyun","Three-Dimensional Photoluminescent Frameworks Constructed from Size-Tunable CuI Clusters","Crystal Growth & Design","2010","10","5","2047","","10.1021/cg1001978","","","0.71073","MoKα","","0.0481","0.032","","","0.059","0.0627","","","","","","0.885","","","","has coordinates,has disorder","179547","2020-10-21","18:00:00",""
"4501649","13.9077","0.0001","13.9077","0.0001","14.1742","0.0002","90","","90","","90","","2741.63","0.05","293","2","293","2","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C12 H25 Cu6 I6 N4 O0.5 -","- C12 H24 Cu6 I6 N4 O0.5 -","- C48 H96 Cu24 I24 N16 O2 -","4","0.5","","Zhang, Ying; Wu, Tao; Liu, Rui; Dou, Tao; Bu, Xianhui; Feng, Pingyun","Three-Dimensional Photoluminescent Frameworks Constructed from Size-Tunable CuI Clusters","Crystal Growth & Design","2010","10","5","2047","","10.1021/cg1001978","","","0.71073","MoKα","","0.0441","0.0319","","","0.0701","0.0739","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501650","6.2512","0.0018","6.7897","0.0019","12.781","0.004","85.939","0.004","80.652","0.004","72.413","0.003","510.1","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H8 N8 -","- C10 H8 N8 -","- C20 H16 N16 -","2","1","","Li, Cheng-Peng; Zhao, Xiao-Hu; Chen, Xu-Dong; Yu, Qian; Du, Miao","Metal-Involved Solvothermal Interconversions of Pyrazinyl Substituted Azole Derivatives: Controllability and Mechanism","Crystal Growth & Design","2010","10","12","5034","","10.1021/cg100200b","","","0.71073","MoKα","","0.0455","0.0337","","","0.0895","0.0948","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501651","7.152","0.0011","11.4761","0.0017","11.8628","0.0018","118.206","0.002","91.59","0.002","103.497","0.002","823.4","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H12 N10 O2 -","- C15 H12 N10 O2 -","- C30 H24 N20 O4 -","2","1","","Li, Cheng-Peng; Zhao, Xiao-Hu; Chen, Xu-Dong; Yu, Qian; Du, Miao","Metal-Involved Solvothermal Interconversions of Pyrazinyl Substituted Azole Derivatives: Controllability and Mechanism","Crystal Growth & Design","2010","10","12","5034","","10.1021/cg100200b","","","0.71073","MoKα","","0.0408","0.0346","","","0.0969","0.101","","","","","","1.067","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501652","18.385","0.014","7.152","0.005","14.975","0.012","90","","96.917","0.01","90","","1955","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N8 O6 -","- C19 H14 N8 O6 -","- C76 H56 N32 O24 -","4","1","","Li, Cheng-Peng; Zhao, Xiao-Hu; Chen, Xu-Dong; Yu, Qian; Du, Miao","Metal-Involved Solvothermal Interconversions of Pyrazinyl Substituted Azole Derivatives: Controllability and Mechanism","Crystal Growth & Design","2010","10","12","5034","","10.1021/cg100200b","","","0.71073","MoKα","","0.0958","0.0491","","","0.1014","0.1233","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501653","8.361","0.007","11.4","0.01","13.716","0.012","75.024","0.01","85.485","0.012","88.141","0.012","1258.9","1.9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 N10 O8 -","- C24 H18 N10 O8 -","- C48 H36 N20 O16 -","2","1","","Li, Cheng-Peng; Zhao, Xiao-Hu; Chen, Xu-Dong; Yu, Qian; Du, Miao","Metal-Involved Solvothermal Interconversions of Pyrazinyl Substituted Azole Derivatives: Controllability and Mechanism","Crystal Growth & Design","2010","10","12","5034","","10.1021/cg100200b","","","0.71073","MoKα","","0.0716","0.0444","","","0.1057","0.1126","","","","","","1.084","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501654","7.529","0.002","21.071","0.003","14.626","0.002","90","","94.4","0.017","90","","2313.5","0.8","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H42 Cu3 N20 O22 S2 -","- C30 H18 Cu3 N20 O22 S2 -","- C60 H36 Cu6 N40 O44 S4 -","2","1","","Li, Cheng-Peng; Zhao, Xiao-Hu; Chen, Xu-Dong; Yu, Qian; Du, Miao","Metal-Involved Solvothermal Interconversions of Pyrazinyl Substituted Azole Derivatives: Controllability and Mechanism","Crystal Growth & Design","2010","10","12","5034","","10.1021/cg100200b","","","0.71073","MoKα","","0.0807","0.0501","","","0.124","0.1488","","","","","","1.101","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501655","12.7276","0.0009","12.7276","0.0009","43.053","0.006","90","","90","","120","","6039.9","1","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C30 H33 Co2 N18 O13.5 -","- C30 H18 Co2 N18 O13.51 -","- C180 H108 Co12 N108 O81.06 -","6","0.166667","","Li, Cheng-Peng; Zhao, Xiao-Hu; Chen, Xu-Dong; Yu, Qian; Du, Miao","Metal-Involved Solvothermal Interconversions of Pyrazinyl Substituted Azole Derivatives: Controllability and Mechanism","Crystal Growth & Design","2010","10","12","5034","","10.1021/cg100200b","","","0.71073","MoKα","","0.0669","0.0442","","","0.1315","0.1396","","","","","","1.024","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4501656","7.4346","0.0009","12.8504","0.0016","14.6177","0.0017","72.193","0.002","79.256","0.002","88.374","0.002","1305.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H40 Co N26 O12 S2 -","- C42 H40 Co N26 O12 S2 -","- C42 H40 Co N26 O12 S2 -","1","0.5","","Li, Cheng-Peng; Zhao, Xiao-Hu; Chen, Xu-Dong; Yu, Qian; Du, Miao","Metal-Involved Solvothermal Interconversions of Pyrazinyl Substituted Azole Derivatives: Controllability and Mechanism","Crystal Growth & Design","2010","10","12","5034","","10.1021/cg100200b","","","0.71073","MoKα","","0.0664","0.0449","","","0.1198","0.1282","","","","","","1.065","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501657","10.9135","0.0015","11.7274","0.0016","12.8083","0.0018","80.213","0.002","66.379","0.002","72.096","0.002","1427.2","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H38 Cu4 N28 O8 S2 -","- C48 H38 Cu4 N28 O8 S2 -","- C48 H38 Cu4 N28 O8 S2 -","1","0.5","","Li, Cheng-Peng; Zhao, Xiao-Hu; Chen, Xu-Dong; Yu, Qian; Du, Miao","Metal-Involved Solvothermal Interconversions of Pyrazinyl Substituted Azole Derivatives: Controllability and Mechanism","Crystal Growth & Design","2010","10","12","5034","","10.1021/cg100200b","","","0.71073","MoKα","","0.0762","0.0423","","","0.0997","0.1124","","","","","","1.025","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501658","22.843","0.004","14.947","0.003","19.278","0.004","90","","97.71","0.003","90","","6523","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H42 Cu4 N28 O10 S2 -","- C48 H38 Cu4 N28 O10 S2 -","- C192 H152 Cu16 N112 O40 S8 -","4","0.5","","Li, Cheng-Peng; Zhao, Xiao-Hu; Chen, Xu-Dong; Yu, Qian; Du, Miao","Metal-Involved Solvothermal Interconversions of Pyrazinyl Substituted Azole Derivatives: Controllability and Mechanism","Crystal Growth & Design","2010","10","12","5034","","10.1021/cg100200b","","","0.71073","MoKα","","0.119","0.0636","","","0.1727","0.2125","","","","","","1.007","","","","has coordinates,has disorder","179547","2020-10-21","18:00:00",""
"4501659","9.146","0.002","9.251","0.002","15.856","0.004","90","","98.041","0.003","90","","1328.4","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Co N18 S2 -","- C22 H16 Co N18 S2 -","- C44 H32 Co2 N36 S4 -","2","0.5","","Li, Cheng-Peng; Zhao, Xiao-Hu; Chen, Xu-Dong; Yu, Qian; Du, Miao","Metal-Involved Solvothermal Interconversions of Pyrazinyl Substituted Azole Derivatives: Controllability and Mechanism","Crystal Growth & Design","2010","10","12","5034","","10.1021/cg100200b","","","0.71073","MoKα","","0.0395","0.0289","","","0.0699","0.0736","","","","","","1.06","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501660","8.283","0.0013","9.5447","0.0014","11.7786","0.0018","89.581","0.002","76.333","0.002","84.805","0.002","901","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 Mn2 N20 O4 S4 -","- C24 H24 Mn2 N20 O4 S4 -","- C24 H24 Mn2 N20 O4 S4 -","1","0.5","","Li, Cheng-Peng; Zhao, Xiao-Hu; Chen, Xu-Dong; Yu, Qian; Du, Miao","Metal-Involved Solvothermal Interconversions of Pyrazinyl Substituted Azole Derivatives: Controllability and Mechanism","Crystal Growth & Design","2010","10","12","5034","","10.1021/cg100200b","","","0.71073","MoKα","","0.0359","0.0287","","","0.0756","0.0784","","","","","","1.066","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501661","11.6601","0.0012","16.6455","0.0017","27.267","0.003","90","","90","","90","","5292.2","1","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 N2 O5 -","- C27 H34 N2 O5 -","- C216 H272 N16 O40 -","8","2","","Balamurugan, D.; Ramkumar, V.; Muraleedharan, K. M.","trans-β2,3-Amino Acid-Based Supramolecular Synthons for Probing the Interrelationships between Structure, Torsion-Directed Assembly, and Isomorphism","Crystal Growth & Design","2010","10","6","2460","","10.1021/cg100208m","","","0.71073","MoKα","","0.0699","0.0534","","","0.1315","0.1523","","","","","","1.097","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501662","9.8519","0.0005","13.1508","0.0005","10.8086","0.0004","90","","95.697","0.002","90","","1393.45","0.1","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H36 N2 O6 -","- C28 H36 N2 O6 -","- C56 H72 N4 O12 -","2","1","","Balamurugan, D.; Ramkumar, V.; Muraleedharan, K. M.","trans-β2,3-Amino Acid-Based Supramolecular Synthons for Probing the Interrelationships between Structure, Torsion-Directed Assembly, and Isomorphism","Crystal Growth & Design","2010","10","6","2460","","10.1021/cg100208m","","","0.71073","MoKα","","0.0551","0.0404","","","0.107","0.1235","","","","","","0.822","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501663","6.3094","0.0002","22.3018","0.0008","9.1251","0.0003","90","","102.049","0.001","90","","1255.71","0.07","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H32 N2 O5 -","- C26 H32 N2 O5 -","- C52 H64 N4 O10 -","2","1","","Balamurugan, D.; Ramkumar, V.; Muraleedharan, K. M.","trans-β2,3-Amino Acid-Based Supramolecular Synthons for Probing the Interrelationships between Structure, Torsion-Directed Assembly, and Isomorphism","Crystal Growth & Design","2010","10","6","2460","","10.1021/cg100208m","","","0.71073","MoKα","","0.0587","0.0415","","","0.0831","0.0908","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501664","10.1648","0.0005","13.7155","0.0009","18.8022","0.0012","90","","90","","90","","2621.3","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 N2 O6 -","- C27 H34 N2 O6 -","- C108 H136 N8 O24 -","4","1","","Balamurugan, D.; Ramkumar, V.; Muraleedharan, K. M.","trans-β2,3-Amino Acid-Based Supramolecular Synthons for Probing the Interrelationships between Structure, Torsion-Directed Assembly, and Isomorphism","Crystal Growth & Design","2010","10","6","2460","","10.1021/cg100208m","","","0.71073","MoKα","","0.117","0.0454","","","0.0738","0.0877","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501665","9.1712","0.0004","12.8168","0.0006","17.5657","0.0008","90","","90","","90","","2064.77","0.16","168","2","168","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N4 O3 -","- C22 H24 N4 O3 -","- C88 H96 N16 O12 -","4","1","","Balamurugan, D.; Ramkumar, V.; Muraleedharan, K. M.","trans-β2,3-Amino Acid-Based Supramolecular Synthons for Probing the Interrelationships between Structure, Torsion-Directed Assembly, and Isomorphism","Crystal Growth & Design","2010","10","6","2460","","10.1021/cg100208m","","","0.71073","MoKα","","0.0636","0.0425","","","0.089","0.0983","","","","","","1.007","","","","has coordinates,has disorder","179547","2020-10-21","18:00:00",""
"4501666","9.2363","0.0005","12.18","0.0011","17.9414","0.0016","90","","90","","90","","2018.4","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N4 O3 -","- C21 H22 N4 O3 -","- C84 H88 N16 O12 -","4","1","","Balamurugan, D.; Ramkumar, V.; Muraleedharan, K. M.","trans-β2,3-Amino Acid-Based Supramolecular Synthons for Probing the Interrelationships between Structure, Torsion-Directed Assembly, and Isomorphism","Crystal Growth & Design","2010","10","6","2460","","10.1021/cg100208m","","","0.71073","MoKα","","0.0785","0.0484","","","0.1227","0.1523","","","","","","0.892","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501667","26.6624","0.0007","12.2211","0.0003","16.3184","0.0004","90","","107.622","0.0015","90","","5067.7","0.2","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(9H-Carbazol-4-yloxy)-3-[(2-{[2-(methyloxy)phenyl]oxy}ethyl)amino]- 2-propanol, phosphoric acid salt, hemihydrate [ratio 1:1:0.5(H2O)]","","- C24 H30 N2 O8.5 P -","- C24 H29 N2 O8.5 P -","- C192 H232 N16 O68 P8 -","8","1","","Vogt, Frederick G.; Copley, Royston C. B.; Mueller, Ronald L.; Spoors, Grant P.; Cacchio, Thomas N.; Carlton, Robert A.; Katrincic, Lee M.; Kennady, James M.; Parsons, Simon; Chetina, Olga V.","Isomorphism, Disorder, and Hydration in the Crystal Structures of Racemic and Single-Enantiomer Carvedilol Phosphate","Crystal Growth & Design","2010","10","6","2713","","10.1021/cg100209v","","","1.54178","CuKα","","0.1128","0.1039","","","0.3203","0.3295","","","","","","1.441","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4501668","26.7679","0.0006","12.2428","0.0003","16.2786","0.0004","90","","108.149","0.0012","90","","5069.3","0.2","90","2","90","2","","","","","","","","5","C 1 2 1","C 2y","5","","(2R)-1-(9H-Carbazol-4-yloxy)-3-[(2-{[2-(methyloxy)phenyl]oxy}ethyl)amino]- 2-propanol, phosphoric acid salt, hemihydrate [ratio 1:1:0.5(H2O)]","","- C24 H30 N2 O8.5 P -","- C24 H30 N2 O8.5 P -","- C192 H240 N16 O68 P8 -","8","2","","Vogt, Frederick G.; Copley, Royston C. B.; Mueller, Ronald L.; Spoors, Grant P.; Cacchio, Thomas N.; Carlton, Robert A.; Katrincic, Lee M.; Kennady, James M.; Parsons, Simon; Chetina, Olga V.","Isomorphism, Disorder, and Hydration in the Crystal Structures of Racemic and Single-Enantiomer Carvedilol Phosphate","Crystal Growth & Design","2010","10","6","2713","","10.1021/cg100209v","","","1.54178","CuKα","","0.0357","0.0353","","","0.096","0.0964","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4501669","13.805","0.0003","10.2581","0.0002","13.989","0.0003","90","","93.689","0.002","90","","1976.92","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","diethylcarbamazine citrate","","- C16 H29 N3 O8 -","- C16 H29 N3 O8 -","- C64 H116 N12 O32 -","4","1","","da Silva, Cecilia C. P.; Martins, Felipe T.; Honorato, Sara B.; Boechat, Núbia; Ayala, Alejandro P.; Ellena, Javier","Triple Structural Transition below Room Temperature in the Antifilarial Drug Diethylcarbamazine Citrate","Crystal Growth & Design","2010","10","7","3094","","10.1021/cg100212q","","x-ray","0.71073","MoKα","","0.0946","0.0605","","","0.1615","0.1834","","","","","","1.097","","","","has coordinates,has disorder","179547","2020-10-21","18:00:00",""
"4501670","27.4386","0.0007","10.1644","0.0002","14.0536","0.0003","90","","95.033","0.001","90","","3904.39","0.15","235","2","235","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","diethylcarbamazine citrate","","- C16 H29 N3 O8 -","- C16 H29 N3 O8 -","- C128 H232 N24 O64 -","8","2","","da Silva, Cecilia C. P.; Martins, Felipe T.; Honorato, Sara B.; Boechat, Núbia; Ayala, Alejandro P.; Ellena, Javier","Triple Structural Transition below Room Temperature in the Antifilarial Drug Diethylcarbamazine Citrate","Crystal Growth & Design","2010","10","7","3094","","10.1021/cg100212q","","x-ray","0.71073","MoKα","","0.1442","0.072","","","0.1691","0.1993","","","","","","1.08","","","","has coordinates,has disorder","179547","2020-10-21","18:00:00",""
"4501671","13.915","0.002","10.096","0.002","14.089","0.003","90","","103.56","0.01","90","","1924.1","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","diethylcarbamazine citrate","","- C16 H29 N3 O8 -","- C16 H29 N3 O8 -","- C64 H116 N12 O32 -","4","1","","da Silva, Cecilia C. P.; Martins, Felipe T.; Honorato, Sara B.; Boechat, Núbia; Ayala, Alejandro P.; Ellena, Javier","Triple Structural Transition below Room Temperature in the Antifilarial Drug Diethylcarbamazine Citrate","Crystal Growth & Design","2010","10","7","3094","","10.1021/cg100212q","","x-ray","0.71073","MoKα","","0.0884","0.0469","","","0.1126","0.1264","","","","","","1.03","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501672","13.656","0.005","10.259","0.005","13.902","0.006","90.14","0.003","95.389","0.003","92.677","0.003","1936.9","1.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","diethylcarbamazine citrate","","- C16 H29 N3 O8 -","- C16 H29 N3 O8 -","- C64 H116 N12 O32 -","4","2","","da Silva, Cecilia C. P.; Martins, Felipe T.; Honorato, Sara B.; Boechat, Núbia; Ayala, Alejandro P.; Ellena, Javier","Triple Structural Transition below Room Temperature in the Antifilarial Drug Diethylcarbamazine Citrate","Crystal Growth & Design","2010","10","7","3094","","10.1021/cg100212q","","x-ray","0.71073","MoKα","","0.0908","0.0617","","","0.1514","0.1693","","","","","","1.027","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501673","14.101","0.002","22.433","0.004","14.161","0.002","90","","116.77","0.002","90","","3999.4","1.1","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","3,5-Dihydroxybenzoicacid","3,5-Dihydroxybenzoicacid","","- C7 H6 O4 -","- C7 H6 O4 -","- C168 H144 O96 -","24","3","","Sarma, Bipul; Sanphui, Palash; Nangia, Ashwini","Polymorphism in Isomeric Dihydroxybenzoic Acids","Crystal Growth & Design","2010","10","5","2388","","10.1021/cg100220z","","","0.71073","MoKα","","0.1397","0.0964","","","0.217","0.2406","","","","","","1.083","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501674","5.338","0.003","5.486","0.003","22.496","0.011","90","","103.043","0.008","90","","641.8","0.6","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,3-Dihydroxybenzoic acid","","- C7 H6 O4 -","- C7 H6 O4 -","- C28 H24 O16 -","4","1","","Sarma, Bipul; Sanphui, Palash; Nangia, Ashwini","Polymorphism in Isomeric Dihydroxybenzoic Acids","Crystal Growth & Design","2010","10","5","2388","","10.1021/cg100220z","","","0.71073","MoKα","","0.056","0.048","","","0.1155","0.1202","","","","","","1.133","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501675","12.318","0.003","3.6448","0.0009","18.182","0.003","90","","112.516","0.012","90","","754.1","0.3","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,4-Dihydroxybenzoicacid monohydrate","","- C7 H8 O5 -","- C7 H8 O5 -","- C28 H32 O20 -","4","1","","Sarma, Bipul; Sanphui, Palash; Nangia, Ashwini","Polymorphism in Isomeric Dihydroxybenzoic Acids","Crystal Growth & Design","2010","10","5","2388","","10.1021/cg100220z","","","0.71073","MoKα","","0.1364","0.0893","","","0.183","0.2062","","","","","","1.157","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501676","6.88","0.0008","8.5444","0.001","17.549","0.002","77.982","0.003","85.21","0.002","85.581","0.002","1003.6","0.2","298","2","298","2","","","","","","","","3","P -1","-P 1","2","3,4-Dihydroxybenzoicacid","3,4-Dihydroxybenzoicacid","","- C7 H6 O4 -","- C7 H6 O4 -","- C42 H36 O24 -","6","3","","Sarma, Bipul; Sanphui, Palash; Nangia, Ashwini","Polymorphism in Isomeric Dihydroxybenzoic Acids","Crystal Growth & Design","2010","10","5","2388","","10.1021/cg100220z","","","0.71073","MoKα","","0.1715","0.082","","","0.1582","0.2034","","","","","","1.015","","","","has coordinates,has disorder","179547","2020-10-21","18:00:00",""
"4501677","9.3556","0.0011","30.024","0.003","13.4635","0.0015","90","","104.955","0.002","90","","3653.7","0.7","298","2","298","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C33 H39 O22 -","- C33 H39 O22 -","- C132 H156 O88 -","4","1","","Sarma, Bipul; Sanphui, Palash; Nangia, Ashwini","Polymorphism in Isomeric Dihydroxybenzoic Acids","Crystal Growth & Design","2010","10","5","2388","","10.1021/cg100220z","","","0.71073","MoKα","","0.0616","0.0472","","","0.1181","0.1288","","","","","","1.008","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501678","14.878","0.006","8.321","0.004","7.027","0.003","90","","94.826","0.007","90","","866.9","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,5-Dihydroxybenzoicacid, dioxane","","- C9 H10 O5 -","- C9 H10 O5 -","- C36 H40 O20 -","4","1","","Sarma, Bipul; Sanphui, Palash; Nangia, Ashwini","Polymorphism in Isomeric Dihydroxybenzoic Acids","Crystal Growth & Design","2010","10","5","2388","","10.1021/cg100220z","","","0.71073","MoKα","","0.0875","0.0769","","","0.2044","0.213","","","","","","1.064","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501679","24.977","0.002","9.1454","0.0009","19.3903","0.0019","90","","129.253","0.001","90","","3429.8","0.6","298","2","298","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C32 H40 O21 -","- C32 H40 O21 -","- C128 H160 O84 -","4","1","","Sarma, Bipul; Sanphui, Palash; Nangia, Ashwini","Polymorphism in Isomeric Dihydroxybenzoic Acids","Crystal Growth & Design","2010","10","5","2388","","10.1021/cg100220z","","","0.71073","MoKα","","0.0552","0.0456","","","0.106","0.1119","","","","","","1.071","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501680","7.3447","0.0015","15.015","0.003","6.484","0.0013","90","","111.67","0.03","90","","664.5","0.3","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","3,5-Dihydroxybenzoicacid","3,5-Dihydroxybenzoicacid","","- C7 H6 O4 -","- C7 H6 O4 -","- C28 H24 O16 -","4","0.5","","Sarma, Bipul; Sanphui, Palash; Nangia, Ashwini","Polymorphism in Isomeric Dihydroxybenzoic Acids","Crystal Growth & Design","2010","10","5","2388","","10.1021/cg100220z","","","0.71073","MoKα","","0.0536","0.0484","","","0.1314","0.1353","","","","","","1.078","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501681","31.3268","0.0008","31.3268","0.0008","31.3268","0.0008","90","","90","","90","","30743.1","1.4","150","2","150","2","","","","","","","","7","I a -3 d","-I 4bd 2c 3","230","","","","- C38 H50 B2 F8 N16 O11.33 Zn -","- C38 H50 B2 F8 N16 O11.3333 Zn -","- C912 H1200 B48 F192 N384 O272 Zn24 -","24","0.25","","Jin, Chuan-Ming; Zhu, Zhu; Chen, Zhan-Fen; Hu, Yan-Jun; Meng, Xiang-Gao","An Unusual Three-Dimensional Water Cluster in Metal−Organic Frameworks Based on ZnX2(X = ClO4, BF4) and an Azo-Functional Ligand","Crystal Growth & Design","2010","10","5","2054","","10.1021/cg100226u","","","0.71073","MoKα","","0.077","0.0595","","","0.1854","0.1935","","","","","","1.046","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501682","31.5108","0.0006","31.5108","0.0006","31.5108","0.0006","90","","90","","90","","31288","1","150","2","150","2","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- C456 H384 Cl24 N192 O232 Zn12 -","- C456 H384 Cl24 N192 O232 Zn12 -","- C912 H768 Cl48 N384 O464 Zn24 -","2","0.0208333","","Jin, Chuan-Ming; Zhu, Zhu; Chen, Zhan-Fen; Hu, Yan-Jun; Meng, Xiang-Gao","An Unusual Three-Dimensional Water Cluster in Metal−Organic Frameworks Based on ZnX2(X = ClO4, BF4) and an Azo-Functional Ligand","Crystal Growth & Design","2010","10","5","2054","","10.1021/cg100226u","","","0.71073","MoKα","","0.1229","0.0538","","","0.1456","0.161","","","","","","0.872","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501683","3.7501","0.0001","20.1157","0.0003","13.7421","0.0002","90","","95.8489","0.0008","90","","1031.25","0.03","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 F N2 O2 -","- C12 H9 F N2 O2 -","- C48 H36 F4 N8 O8 -","4","1","","Long, Sihui; Li, Tonglei","Enforcing Molecule’s π-Conjugation and Consequent Formation of the Acid−Acid Homosynthon over the Acid−Pyridine Heterosynthon in 2-Anilinonicotinic Acids","Crystal Growth & Design","2010","10","6","2465","","10.1021/cg100227s","","","0.71073","MoKα","","0.0627","0.0462","","","0.1181","0.1303","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501684","3.7408","0.0001","10.3642","0.0002","14.0516","0.0003","109.449","0.0009","97.4322","0.0009","96.3926","0.0009","502.39","0.02","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H9 F N2 O2 -","- C12 H9 F N2 O2 -","- C24 H18 F2 N4 O4 -","2","1","","Long, Sihui; Li, Tonglei","Enforcing Molecule’s π-Conjugation and Consequent Formation of the Acid−Acid Homosynthon over the Acid−Pyridine Heterosynthon in 2-Anilinonicotinic Acids","Crystal Growth & Design","2010","10","6","2465","","10.1021/cg100227s","","","0.71073","MoKα","","0.0399","0.0358","","","0.0979","0.1013","","","","","","1.064","","","","has coordinates,has disorder","179547","2020-10-21","18:00:00",""
"4501685","3.7737","0.0008","32.818","0.007","12.844","0.003","90","","92.24","0.03","90","","1589.5","0.6","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 F N2 O2 -","- C12 H9 F N2 O2 -","- C72 H54 F6 N12 O12 -","6","1.5","","Long, Sihui; Li, Tonglei","Enforcing Molecule’s π-Conjugation and Consequent Formation of the Acid−Acid Homosynthon over the Acid−Pyridine Heterosynthon in 2-Anilinonicotinic Acids","Crystal Growth & Design","2010","10","6","2465","","10.1021/cg100227s","","","0.71073","MoKα","","0.1598","0.0562","","","0.118","0.167","","","","","","0.988","","","","has coordinates,has disorder","179547","2020-10-21","18:00:00",""
"4501686","3.6888","0.0001","21.3264","0.0008","13.7054","0.0006","90","","95.0034","0.0015","90","","1074.08","0.07","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 F2 N2 O2 -","- C12 H8 F2 N2 O2 -","- C48 H32 F8 N8 O8 -","4","1","","Long, Sihui; Li, Tonglei","Enforcing Molecule’s π-Conjugation and Consequent Formation of the Acid−Acid Homosynthon over the Acid−Pyridine Heterosynthon in 2-Anilinonicotinic Acids","Crystal Growth & Design","2010","10","6","2465","","10.1021/cg100227s","","","0.71073","MoKα","","0.1048","0.0648","","","0.168","0.1881","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501687","4.2521","0.0002","9.4407","0.0005","13.6969","0.0008","106.367","0.0023","90.331","0.0023","96.516","0.0022","523.73","0.05","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 F2 N2 O2 -","- C12 H8 F2 N2 O2 -","- C24 H16 F4 N4 O4 -","2","1","","Long, Sihui; Li, Tonglei","Enforcing Molecule’s π-Conjugation and Consequent Formation of the Acid−Acid Homosynthon over the Acid−Pyridine Heterosynthon in 2-Anilinonicotinic Acids","Crystal Growth & Design","2010","10","6","2465","","10.1021/cg100227s","","","0.71073","MoKα","","0.1099","0.0738","","","0.2355","0.2489","","","","","","1.238","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501688","6.8233","0.0002","7.642","0.0003","10.9371","0.0004","104.638","0.0015","105.292","0.0015","94.5914","0.0016","525.64","0.03","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 F2 N2 O2 -","- C12 H8 F2 N2 O2 -","- C24 H16 F4 N4 O4 -","2","1","","Long, Sihui; Li, Tonglei","Enforcing Molecule’s π-Conjugation and Consequent Formation of the Acid−Acid Homosynthon over the Acid−Pyridine Heterosynthon in 2-Anilinonicotinic Acids","Crystal Growth & Design","2010","10","6","2465","","10.1021/cg100227s","","","0.71073","MoKα","","0.1017","0.0579","","","0.1526","0.176","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501689","17.9911","0.0004","3.7728","0.0001","19.682","0.0005","90","","99.4392","0.0011","90","","1317.86","0.06","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 F2 N2 O4 -","- C14 H12 F2 N2 O4 -","- C56 H48 F8 N8 O16 -","4","1","","Long, Sihui; Li, Tonglei","Enforcing Molecule’s π-Conjugation and Consequent Formation of the Acid−Acid Homosynthon over the Acid−Pyridine Heterosynthon in 2-Anilinonicotinic Acids","Crystal Growth & Design","2010","10","6","2465","","10.1021/cg100227s","","","0.71073","MoKα","","0.0658","0.0441","","","0.1134","0.1299","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501690","6.1189","0.0002","13.6856","0.0005","36.8482","0.0015","90","","90","","90","","3085.7","0.2","90","2","90","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C15 H15 F2 N3 O3 -","- C15 H15 F2 N3 O3 -","- C120 H120 F16 N24 O24 -","8","1","","Long, Sihui; Li, Tonglei","Enforcing Molecule’s π-Conjugation and Consequent Formation of the Acid−Acid Homosynthon over the Acid−Pyridine Heterosynthon in 2-Anilinonicotinic Acids","Crystal Growth & Design","2010","10","6","2465","","10.1021/cg100227s","","","0.71073","MoKα","","0.1868","0.06","","","0.1454","0.1977","","","","","","0.876","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501691","7.25","0.0001","14.252","0.0003","10.689","0.0002","90","","90.843","0.001","90","","1104.34","0.03","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 F2 N2 O2 -","- C12 H8 F2 N2 O2 -","- C48 H32 F8 N8 O8 -","4","1","","Long, Sihui; Li, Tonglei","Enforcing Molecule’s π-Conjugation and Consequent Formation of the Acid−Acid Homosynthon over the Acid−Pyridine Heterosynthon in 2-Anilinonicotinic Acids","Crystal Growth & Design","2010","10","6","2465","","10.1021/cg100227s","","","0.71073","MoKα","","0.0548","0.0427","","","0.1084","0.117","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501692","25.7321","0.0003","14.3518","0.0002","15.2832","0.0002","90","","104.478","0.0005","90","","5464.88","0.12","90","2","90","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H8 F2 N2 O2 -","- C12 H8 F2 N2 O2 -","- C240 H160 F40 N40 O40 -","20","5","","Long, Sihui; Li, Tonglei","Enforcing Molecule’s π-Conjugation and Consequent Formation of the Acid−Acid Homosynthon over the Acid−Pyridine Heterosynthon in 2-Anilinonicotinic Acids","Crystal Growth & Design","2010","10","6","2465","","10.1021/cg100227s","","","0.71073","MoKα","","0.0698","0.0488","","","0.1136","0.1261","","","","","","1.033","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501693","31.045","0.002","13.9893","0.0011","14.4513","0.0011","90","","90","","90","","6276.2","0.8","273","2","273","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C32 H71 Cu4 N12 Nb6 O30.5 -","- C32 H32 Cu4 N12 Nb6 O30.5 -","- C128 H128 Cu16 N48 Nb24 O122 -","4","1","","Niu, Jingyang; Fu, Xiao; Zhao, Junwei; Li, Suzhi; Ma, Pengtao; Wang, Jingping","Two-Dimensional Polyoxoniobates Constructed from Lindqvist-Type Hexaniobates Functionalized by Mixed Ligands","Crystal Growth & Design","2010","10","7","3110","","10.1021/cg100236c","","","0.71073","MoKα","","0.0338","0.0286","","","0.0717","0.0737","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501694","30.869","0.0015","13.7091","0.0006","14.6688","0.0007","90","","90","","90","","6207.6","0.5","296","2","296","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C28 H66 Cu4 N12 Nb6 O28 -","- C28 H48 Cu4 N12 Nb6 O28 -","- C112 H192 Cu16 N48 Nb24 O112 -","4","0.5","","Niu, Jingyang; Fu, Xiao; Zhao, Junwei; Li, Suzhi; Ma, Pengtao; Wang, Jingping","Two-Dimensional Polyoxoniobates Constructed from Lindqvist-Type Hexaniobates Functionalized by Mixed Ligands","Crystal Growth & Design","2010","10","7","3110","","10.1021/cg100236c","","","0.71073","MoKα","","0.0526","0.0465","","","0.131","0.1343","","","","","","1.086","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501695","31.9429","0.0018","13.6686","0.0008","14.6214","0.0008","90","","90","","90","","6383.9","0.6","273","2","273","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C32 H57 Cu4 N12 Nb6 O30 -","- C32 H16 Cu4 N12 Nb6 O30 -","- C128 H64 Cu16 N48 Nb24 O120 -","4","0.5","","Niu, Jingyang; Fu, Xiao; Zhao, Junwei; Li, Suzhi; Ma, Pengtao; Wang, Jingping","Two-Dimensional Polyoxoniobates Constructed from Lindqvist-Type Hexaniobates Functionalized by Mixed Ligands","Crystal Growth & Design","2010","10","7","3110","","10.1021/cg100236c","","","0.71073","MoKα","","0.1004","0.0834","","","0.1987","0.2058","","","","","","1.094","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501696","7.0925","0.001","7.0925","0.001","5.3437","0.0011","90","","90","","120","","232.79","0.07","298","1","298","1","","","","","","","","4","P -6 m 2","P -6 2","187","dabco hydroiodide","1,4-diazabicyclo[2.2.2]octane hydroiodide","","- C6 H13 I N2 -","- C6 H13 I N2 -","- C6 H13 I N2 -","1","0.0833333","","Szafrański, Marek; Katrusiak, Andrzej; McIntyre, Garry J.","Proton Disorder in NH···N Bonded [dabcoH]+I−Relaxor: New Insights into H-Disordering in a One-Dimensional H2O Ice Analogue","Crystal Growth & Design","2010","10","10","4334","","10.1021/cg100247g","","neutron","0.8372","hotneutrons","","0.0662","0.0515","","","0.0897","0.0942","","","","","","1.124","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501697","7.0223","0.001","7.0223","0.001","5.3198","0.0011","90","","90","","120","","227.19","0.07","1.5","0.2","1.5","0.2","","","","","","","","4","P -6 m 2","P -6 2","187","dabco hydroiodide","1,4-diazabicyclo[2.2.2]octane hydroiodide","","- C6 H13 I N2 -","- C6 H13 I N2 -","- C6 H13 I N2 -","1","0.0833333","","Szafrański, Marek; Katrusiak, Andrzej; McIntyre, Garry J.","Proton Disorder in NH···N Bonded [dabcoH]+I−Relaxor: New Insights into H-Disordering in a One-Dimensional H2O Ice Analogue","Crystal Growth & Design","2010","10","10","4334","","10.1021/cg100247g","","neutron","0.8372","hotneutrons","","0.0297","0.0279","","","0.0643","0.0651","","","","","","1.101","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501698","7.0217","0.001","7.0217","0.001","5.3196","0.0011","90","","90","","120","","227.14","0.07","6","0.2","6","0.2","","","","","","","","4","P -6 m 2","P -6 2","187","dabco hydroiodide","1,4-diazabicyclo[2.2.2]octane hydroiodide","","- C6 H13 I N2 -","- C6 H13 I N2 -","- C6 H13 I N2 -","1","0.0833333","","Szafrański, Marek; Katrusiak, Andrzej; McIntyre, Garry J.","Proton Disorder in NH···N Bonded [dabcoH]+I−Relaxor: New Insights into H-Disordering in a One-Dimensional H2O Ice Analogue","Crystal Growth & Design","2010","10","10","4334","","10.1021/cg100247g","","neutron","0.8372","hotneutrons","","0.0305","0.0285","","","0.0639","0.0656","","","","","","1.143","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501699","7.022","0.005","7.022","0.005","5.32","0.003","90","","90","","120","","227.2","0.3","16","0.2","16","0.2","","","","","","","","4","P -6 m 2","P -6 2","187","dabco hydroiodide","1,4-diazabicyclo[2.2.2]octane hydroiodide","","- C6 H13 I N2 -","- C6 H13 I N2 -","- C6 H13 I N2 -","1","0.0833333","","Szafrański, Marek; Katrusiak, Andrzej; McIntyre, Garry J.","Proton Disorder in NH···N Bonded [dabcoH]+I−Relaxor: New Insights into H-Disordering in a One-Dimensional H2O Ice Analogue","Crystal Growth & Design","2010","10","10","4334","","10.1021/cg100247g","","neutron","0.8372","hotneutrons","","0.025","0.0241","","","0.0537","0.054","","","","","","1.153","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501700","6.259","0.002","22.164","0.004","7.362","0.003","90","","96.349","0.004","90","","1015","0.6","293","2","293","2","","","","","","","","2","P 1 21 1","P 2yb","4","alpha-TPB","1,1,4,4-tetraphenyl-1,3-butadiene","","- C28 H22 -","- C28 H22 -","- C56 H44 -","2","1","","Girlando, Alberto; Ianelli, Sandra; Bilotti, Ivano; Brillante, Aldo; Della Valle, Raffaele G.; Venuti, Elisabetta; Campione, Marcello; Mora, Stefano; Silvestri, Leonardo; Spearman, Peter; Tavazzi, Silvia","Spectroscopic and Structural Characterization of Two Polymorphs of 1,1,4,4-Tetraphenyl-1,3-butadiene","Crystal Growth & Design","2010","10","6","2752","","10.1021/cg100253k","","","1.54178","CuKα","","0.0822","0.0794","","","0.1891","0.1934","","","","","","1.463","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501701","9.736","0.005","8.634","0.002","24.48","0.013","90","","97.11","0.04","90","","2042","1.6","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","beta-TPB","1,1,4,4-tetraphenyl-1,3-butadiene","","- C28 H22 -","- C28 H22 -","- C112 H88 -","4","1","","Girlando, Alberto; Ianelli, Sandra; Bilotti, Ivano; Brillante, Aldo; Della Valle, Raffaele G.; Venuti, Elisabetta; Campione, Marcello; Mora, Stefano; Silvestri, Leonardo; Spearman, Peter; Tavazzi, Silvia","Spectroscopic and Structural Characterization of Two Polymorphs of 1,1,4,4-Tetraphenyl-1,3-butadiene","Crystal Growth & Design","2010","10","6","2752","","10.1021/cg100253k","","","1.54178","CuKα","","0.1266","0.0822","","","0.2082","0.2417","","","","","","1.116","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501702","7.3801","0.0015","9.5154","0.0019","6.9029","0.0014","90","","90","","90","","484.75","0.17","295","2","295","2","","","150000","","","","","2","P b c a","-P 2ac 2ab","61","benzene","benzene","","- C6 H6 -","- C6 H6 -","- C24 H24 -","4","0.5","","Katrusiak, Andrzej; Podsiadło, Marcin; Budzianowski, Armand","Association CH···π and No van der Waals Contacts at the Lowest Limits of Crystalline Benzene I and II Stability Regions†","Crystal Growth & Design","2010","10","8","3461","","10.1021/cg1002594","","","0.71073","MoKα","","0.1352","0.0852","","","0.2175","0.2547","","","","","","1.214","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501703","5.5146","0.0011","5.4951","0.0011","7.6536","0.0015","90","","110.59","0.03","90","","217.11","0.09","295","2","295","2","","","910000","","","","","2","P 1 21/c 1","-P 2ybc","14","benzene","benzene","","- C6 H6 -","- C6 H6 -","- C12 H12 -","2","0.5","","Katrusiak, Andrzej; Podsiadło, Marcin; Budzianowski, Armand","Association CH···π and No van der Waals Contacts at the Lowest Limits of Crystalline Benzene I and II Stability Regions†","Crystal Growth & Design","2010","10","8","3461","","10.1021/cg1002594","","","0.71073","MoKα","","0.0845","0.0804","","","0.2225","0.2266","","","","","","1.249","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501704","5.522","0.0011","5.4396","0.0011","7.6726","0.0015","90","","110.55","0.03","90","","215.8","0.09","295","2","295","2","","","970000","","","","","2","P 1 21/c 1","-P 2ybc","14","benzene","benzene","","- C6 H6 -","- C6 H6 -","- C12 H12 -","2","0.5","","Katrusiak, Andrzej; Podsiadło, Marcin; Budzianowski, Armand","Association CH···π and No van der Waals Contacts at the Lowest Limits of Crystalline Benzene I and II Stability Regions†","Crystal Growth & Design","2010","10","8","3461","","10.1021/cg1002594","","","0.71073","MoKα","","0.0819","0.0761","","","0.203","0.2089","","","","","","1.213","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501705","17.705","0.004","20.974","0.004","21.846","0.004","63.5","0.03","74.17","0.03","72.38","0.03","6829","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C205 H166 N60 Ni8 O54 S4 -","- C205 H164 N60 Ni8 O54 S4 -","- C205 H164 N60 Ni8 O54 S4 -","1","0.5","","Pan, Fangfang; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Solvent-Mediated Central Metals Transformation from a Tetranuclear NiIICage to a Decanuclear CuII“Pocket”","Crystal Growth & Design","2010","10","9","3835","","10.1021/cg1002868","","","0.71073","MoKα","","0.158","0.0978","","","0.2283","0.2646","","","","","","1.099","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501706","14.7976","0.0008","30.0426","0.0016","28.4355","0.0015","90","","96.748","0.001","90","","12553.7","1.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C71 H94 Cu10 N20 O62 S8 -","- C71 H67 Cu10 N20 O62 S8 -","- C284 H268 Cu40 N80 O248 S32 -","4","1","","Pan, Fangfang; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Solvent-Mediated Central Metals Transformation from a Tetranuclear NiIICage to a Decanuclear CuII“Pocket”","Crystal Growth & Design","2010","10","9","3835","","10.1021/cg1002868","","","0.71073","MoKα","","0.1331","0.0653","","","0.1836","0.2286","","","","","","1.019","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501707","15.134","0.003","15.84","0.003","23.066","0.005","101.5","0.03","98","0.03","116.73","0.03","4671","2","293","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C73 H78 Cu2 N20 O24 S2 -","- C73 H72 Cu2 N20 O24 S2 -","- C146 H144 Cu4 N40 O48 S4 -","2","1","","Pan, Fangfang; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Solvent-Mediated Central Metals Transformation from a Tetranuclear NiIICage to a Decanuclear CuII“Pocket”","Crystal Growth & Design","2010","10","9","3835","","10.1021/cg1002868","","","0.71073","MoKα","","0.116","0.0747","","","0.1874","0.21","","","","","","0.975","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501708","11.453","0.003","11.792","0.003","19.729","0.005","73.125","0.004","73.409","0.004","85.848","0.004","2443.4","1.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H64 Mo6 N2 O25 -","- C32 H64 Mo6 N2 O25 -","- C64 H128 Mo12 N4 O50 -","2","1","","Chatterjee, Tanmay; Sarma, Monima; Das, Samar K.","Supramolecular Architectures from Ammonium-Crown Ether Inclusion Complexes in Polyoxometalate Association: Synthesis, Structure, and Spectroscopy","Crystal Growth & Design","2010","10","7","3149","","10.1021/cg100292u","","","0.71073","MoKα","","0.048","0.033","","","0.0721","0.0779","","","","","","1.018","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501709","13.4862","0.0018","15.132","0.002","15.324","0.002","66.302","0.002","70.832","0.002","74.559","0.002","2672","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H118 N6 O66 Si W12 -","- C68 H102 N6 O68 Si W12 -","- C68 H102 N6 O68 Si W12 -","1","0.5","","Chatterjee, Tanmay; Sarma, Monima; Das, Samar K.","Supramolecular Architectures from Ammonium-Crown Ether Inclusion Complexes in Polyoxometalate Association: Synthesis, Structure, and Spectroscopy","Crystal Growth & Design","2010","10","7","3149","","10.1021/cg100292u","","","0.71073","MoKα","","0.0635","0.0597","","","0.1374","0.1388","","","","","","1.399","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501710","22.4502","0.0014","11.7332","0.0007","22.0464","0.0014","90","","90.845","0.001","90","","5806.7","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H52 Mo6 N2 O35 -","- C40 H48 Mo6 N2 O35 -","- C160 H192 Mo24 N8 O140 -","4","0.5","","Chatterjee, Tanmay; Sarma, Monima; Das, Samar K.","Supramolecular Architectures from Ammonium-Crown Ether Inclusion Complexes in Polyoxometalate Association: Synthesis, Structure, and Spectroscopy","Crystal Growth & Design","2010","10","7","3149","","10.1021/cg100292u","","","0.71073","MoKα","","0.0817","0.0599","","","0.1211","0.1312","","","","","","1.097","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501711","12.3773","0.0006","12.1057","0.0006","20.1711","0.0009","90","","104.598","0.001","90","","2924.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H80 Mo6 N2 O31 -","- C40 H80 Mo6 N2 O31 -","- C80 H160 Mo12 N4 O62 -","2","0.5","","Chatterjee, Tanmay; Sarma, Monima; Das, Samar K.","Supramolecular Architectures from Ammonium-Crown Ether Inclusion Complexes in Polyoxometalate Association: Synthesis, Structure, and Spectroscopy","Crystal Growth & Design","2010","10","7","3149","","10.1021/cg100292u","","","0.71073","MoKα","","0.0234","0.0218","","","0.0513","0.0522","","","","","","1.11","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501712","16.4726","0.0011","23.9302","0.0016","12.1349","0.0008","90","","123.61","0.001","90","","3983.8","0.5","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C60 H96 Mo6 N2 O43 -","- C60 H94 Mo6 N2 O43 -","- C120 H188 Mo12 N4 O86 -","2","0.25","","Chatterjee, Tanmay; Sarma, Monima; Das, Samar K.","Supramolecular Architectures from Ammonium-Crown Ether Inclusion Complexes in Polyoxometalate Association: Synthesis, Structure, and Spectroscopy","Crystal Growth & Design","2010","10","7","3149","","10.1021/cg100292u","","","0.71073","MoKα","","0.0403","0.0378","","","0.0944","0.0956","","","","","","1.167","","","","has coordinates,has disorder","179548","2020-10-21","18:00:00",""
"4501713","15.1785","0.0007","15.1785","0.0007","39.085","0.003","90","","90","","120","","7798.3","0.8","90","2","90","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C30 H12 O13 Zn4 -","- C30 O13 Zn4 -","- C180 O78 Zn24 -","6","0.333333","","Chen, Zhenxia; Xiang, Shengchang; Liao, Tengbiao; Yang, Yongtai; Chen, Yu-Sheng; Zhou, Yaming; Zhao, Dongyuan; Chen, Banglin","A New Multidentate Hexacarboxylic Acid for the Construction of Porous Metal−Organic Frameworks of Diverse Structures and Porosities","Crystal Growth & Design","2010","10","6","2775","","10.1021/cg100316s","","","0.71073","MoKα","","0.1406","0.116","","","0.3012","0.3203","","","","","","1.158","","","","has coordinates,has disorder","179548","2020-10-21","18:00:00",""
"4501714","22.602","0.003","22.602","0.003","39.721","0.008","90","","90","","120","","17573","5","90","2","90","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C40.5 H39 N3 O16.5 Zn3 -","- C40.5 H37.5 N3 O16.5 Zn3 -","- C486 H450 N36 O198 Zn36 -","12","0.666667","","Chen, Zhenxia; Xiang, Shengchang; Liao, Tengbiao; Yang, Yongtai; Chen, Yu-Sheng; Zhou, Yaming; Zhao, Dongyuan; Chen, Banglin","A New Multidentate Hexacarboxylic Acid for the Construction of Porous Metal−Organic Frameworks of Diverse Structures and Porosities","Crystal Growth & Design","2010","10","6","2775","","10.1021/cg100316s","","","0.71073","MoKα","","0.0516","0.0453","","","0.1137","0.1164","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501715","32.476","0.011","23.135","0.008","18.163","0.006","90","","112.301","0.006","90","","12626","7","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H26 Cd3 N O17 -","- C33 H18 Cd3 N O17 -","- C264 H144 Cd24 N8 O136 -","8","1","","Chen, Zhenxia; Xiang, Shengchang; Liao, Tengbiao; Yang, Yongtai; Chen, Yu-Sheng; Zhou, Yaming; Zhao, Dongyuan; Chen, Banglin","A New Multidentate Hexacarboxylic Acid for the Construction of Porous Metal−Organic Frameworks of Diverse Structures and Porosities","Crystal Growth & Design","2010","10","6","2775","","10.1021/cg100316s","","","0.71073","MoKα","","0.0973","0.0622","","","0.142","0.1505","","","","","","0.906","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501716","6.1958","0.0009","5.3278","0.0008","11.3566","0.0016","90","","105.132","0.002","90","","361.88","0.09","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C5 H7 B Cl N O2 -","- C5 H7 B Cl N O2 -","- C10 H14 B2 Cl2 N2 O4 -","2","1","","Campos-Gaxiola, José J.; Vega-Paz, Araceli; Román-Bravo, Perla; Höpfl, Herbert; Sánchez-Vázquez, Mario","Pyridineboronic Acids as Useful Building Blocks in Combination with Perchloroplatinate(II) and -(IV) Salts: 1D, 2D, and 3D Hydrogen-Bonded Networks Containing X-H···Cl2Pt−(X = C, N+), B(OH)2···Cl2Pt−, and B(OH)2···(HO)2B Synthons","Crystal Growth & Design","2010","10","7","3182","","10.1021/cg100325c","","","0.71073","MoKα","","0.0335","0.0327","","","0.0808","0.0813","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501717","7.3658","0.001","8.0487","0.0011","8.1862","0.0011","68.767","0.002","77.992","0.002","85.515","0.002","442.47","0.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H14 B2 Cl4 N2 O4 Pt -","- C10 H14 B2 Cl4 N2 O4 Pt -","- C10 H14 B2 Cl4 N2 O4 Pt -","1","0.5","","Campos-Gaxiola, José J.; Vega-Paz, Araceli; Román-Bravo, Perla; Höpfl, Herbert; Sánchez-Vázquez, Mario","Pyridineboronic Acids as Useful Building Blocks in Combination with Perchloroplatinate(II) and -(IV) Salts: 1D, 2D, and 3D Hydrogen-Bonded Networks Containing X-H···Cl2Pt−(X = C, N+), B(OH)2···Cl2Pt−, and B(OH)2···(HO)2B Synthons","Crystal Growth & Design","2010","10","7","3182","","10.1021/cg100325c","","","0.71073","MoKα","","0.0323","0.0323","","","0.0788","0.0788","","","","","","1.07","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501718","6.9763","0.0009","8.1459","0.0011","8.236","0.0011","70.567","0.002","79.375","0.002","83.735","0.002","433.23","0.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H14 B2 Cl4 N2 O4 Pt -","- C10 H14 B2 Cl4 N2 O4 Pt -","- C10 H14 B2 Cl4 N2 O4 Pt -","1","0.5","","Campos-Gaxiola, José J.; Vega-Paz, Araceli; Román-Bravo, Perla; Höpfl, Herbert; Sánchez-Vázquez, Mario","Pyridineboronic Acids as Useful Building Blocks in Combination with Perchloroplatinate(II) and -(IV) Salts: 1D, 2D, and 3D Hydrogen-Bonded Networks Containing X-H···Cl2Pt−(X = C, N+), B(OH)2···Cl2Pt−, and B(OH)2···(HO)2B Synthons","Crystal Growth & Design","2010","10","7","3182","","10.1021/cg100325c","","","0.71073","MoKα","","0.032","0.032","","","0.0798","0.0798","","","","","","1.08","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501719","7.2649","0.0007","28.544","0.003","7.9492","0.0008","90","","101.622","0.002","90","","1614.6","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 B2 Cl3 N2 O4 Pt -","- C10 H13 B2 Cl3 N2 O4 Pt -","- C40 H52 B8 Cl12 N8 O16 Pt4 -","4","1","","Campos-Gaxiola, José J.; Vega-Paz, Araceli; Román-Bravo, Perla; Höpfl, Herbert; Sánchez-Vázquez, Mario","Pyridineboronic Acids as Useful Building Blocks in Combination with Perchloroplatinate(II) and -(IV) Salts: 1D, 2D, and 3D Hydrogen-Bonded Networks Containing X-H···Cl2Pt−(X = C, N+), B(OH)2···Cl2Pt−, and B(OH)2···(HO)2B Synthons","Crystal Growth & Design","2010","10","7","3182","","10.1021/cg100325c","","","0.71073","MoKα","","0.0312","0.0291","","","0.0592","0.0601","","","","","","1.193","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501720","19.0164","0.0018","8.3989","0.0008","19.303","0.0018","90","","90","","90","","3083","0.5","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C10 H14 B2 Cl2 N2 O5 Pt -","- C10 H14 B2 Cl2 N2 O5 Pt -","- C80 H112 B16 Cl16 N16 O40 Pt8 -","8","1","","Campos-Gaxiola, José J.; Vega-Paz, Araceli; Román-Bravo, Perla; Höpfl, Herbert; Sánchez-Vázquez, Mario","Pyridineboronic Acids as Useful Building Blocks in Combination with Perchloroplatinate(II) and -(IV) Salts: 1D, 2D, and 3D Hydrogen-Bonded Networks Containing X-H···Cl2Pt−(X = C, N+), B(OH)2···Cl2Pt−, and B(OH)2···(HO)2B Synthons","Crystal Growth & Design","2010","10","7","3182","","10.1021/cg100325c","","","0.71073","MoKα","","0.0442","0.0423","","","0.0789","0.0798","","","","","","1.314","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501721","9.5056","0.0011","13.789","0.0016","14.2762","0.0016","90","","90","","90","","1871.2","0.4","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C10 H16 B2 Cl4 N2 O6 Pt -","- C10 H16 B2 Cl4 N2 O6 Pt -","- C40 H64 B8 Cl16 N8 O24 Pt4 -","4","0.5","","Campos-Gaxiola, José J.; Vega-Paz, Araceli; Román-Bravo, Perla; Höpfl, Herbert; Sánchez-Vázquez, Mario","Pyridineboronic Acids as Useful Building Blocks in Combination with Perchloroplatinate(II) and -(IV) Salts: 1D, 2D, and 3D Hydrogen-Bonded Networks Containing X-H···Cl2Pt−(X = C, N+), B(OH)2···Cl2Pt−, and B(OH)2···(HO)2B Synthons","Crystal Growth & Design","2010","10","7","3182","","10.1021/cg100325c","","","0.71073","MoKα","","0.0309","0.0294","","","0.0516","0.0523","","","","","","1.25","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501722","6.42596","0.00015","7.19411","0.00017","10.04415","0.00026","66.6999","0.0013","84.6295","0.0015","83.1542","0.001","422.873","0.018","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C6 H15 N O2 -","- C6 H15 N O2 -","- C12 H30 N2 O4 -","2","1","","Martí-Rujas, Javier; Morte-Ródenas, Anabel; Guo, Fang; Thomas, Nigel; Fujii, Kotaro; Kariuki, Benson M.; Harris, Kenneth D. M.","A Solid-State Dehydration Process in an Organic Material Associated with Substantial Hydrogen-Bond Reorganization, Investigated by Powder X-ray Diffraction","Crystal Growth & Design","2010","10","7","3176","","10.1021/cg100330c","powder diffraction","x-ray","1.54056","","","","","","","","","0.08426","","2.11","","","","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501723","7.6306","0.0003","18.0943","0.0007","14.2363","0.0006","90","","98.572","0.002","90","","1943.65","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H17 N O3 -","- C6 H17 N O3 -","- C48 H136 N8 O24 -","8","2","","Martí-Rujas, Javier; Morte-Ródenas, Anabel; Guo, Fang; Thomas, Nigel; Fujii, Kotaro; Kariuki, Benson M.; Harris, Kenneth D. M.","A Solid-State Dehydration Process in an Organic Material Associated with Substantial Hydrogen-Bond Reorganization, Investigated by Powder X-ray Diffraction","Crystal Growth & Design","2010","10","7","3176","","10.1021/cg100330c","","","0.71073","MoKα","","0.1474","0.0712","","","0.157","0.1872","","","","","","1.027","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501724","10.6693","0.0003","10.6693","0.0003","38.8144","0.001","90","","90","","120","","3826.44","0.18","200.1","","200","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C23 H21 Cl2 N5 O8 -","- C23 H21 Cl2 N5 O8 -","- C138 H126 Cl12 N30 O48 -","6","0.5","","Matsumoto, Kouzou; Inokuchi, Daisuke; Hirao, Yasukazu; Kurata, Hiroyuki; Kubo, Takashi","Hydrogen-Bonded Quartz-type Network of Diprotonated Tetrakis(4-pyridyl)methane Dications","Crystal Growth & Design","2010","10","7","2854","","10.1021/cg1003353","","","0.71075","MoKα","","","0.0646","","","","0.197","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501725","10.6023","0.0003","10.6023","0.0003","38.2513","0.001","90","","90","","120","","3723.72","0.18","200.1","","200","","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C23 H21 B2 F8 N5 -","- C23 H24 B2 F8 N5 -","- C138 H144 B12 F48 N30 -","6","0.5","","Matsumoto, Kouzou; Inokuchi, Daisuke; Hirao, Yasukazu; Kurata, Hiroyuki; Kubo, Takashi","Hydrogen-Bonded Quartz-type Network of Diprotonated Tetrakis(4-pyridyl)methane Dications","Crystal Growth & Design","2010","10","7","2854","","10.1021/cg1003353","","","0.71075","MoKα","","","0.0643","","","","0.1807","","","","","","1.105","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501726","17.6828","0.0011","7.1254","0.0005","16.3438","0.001","90","","109.805","0.0018","90","","1937.5","0.2","200.1","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 Cl2 N4 -","- C21 H18 Cl2 N4 -","- C84 H72 Cl8 N16 -","4","0.5","","Matsumoto, Kouzou; Inokuchi, Daisuke; Hirao, Yasukazu; Kurata, Hiroyuki; Kubo, Takashi","Hydrogen-Bonded Quartz-type Network of Diprotonated Tetrakis(4-pyridyl)methane Dications","Crystal Growth & Design","2010","10","7","2854","","10.1021/cg1003353","","","0.71075","MoKα","","","0.0378","","","","0.1382","","","","","","1.161","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501727","15.7545","0.0003","11.5379","0.0002","17.5318","0.0005","90","","92.025","0.0006","90","","3184.83","0.12","200.1","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H32 N4 O6 S2 -","- C35 H32 N4 O6 S2 -","- C140 H128 N16 O24 S8 -","4","1","","Matsumoto, Kouzou; Inokuchi, Daisuke; Hirao, Yasukazu; Kurata, Hiroyuki; Kubo, Takashi","Hydrogen-Bonded Quartz-type Network of Diprotonated Tetrakis(4-pyridyl)methane Dications","Crystal Growth & Design","2010","10","7","2854","","10.1021/cg1003353","","","0.71075","MoKα","","","0.0523","","","","0.1456","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501728","18.206","0.004","18.32","0.004","14.765","0.003","90","","92.16","0.03","90","","4921.1","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H45 N13 O17 Zn3 -","- C42 H43 N13 O17 Zn3 -","- C168 H172 N52 O68 Zn12 -","4","0.5","","Jing, Xuemin; Meng, He; Li, Guanghua; Yu, Yang; Huo, Qisheng; Eddaoudi, Mohamed; Liu, Yunling","Construction of Three Metal−Organic Frameworks Based on Multifunctional T-Shaped Tripodal Ligands, H3PyImDC","Crystal Growth & Design","2010","10","8","3489","","10.1021/cg1003403","","","0.71073","MoKα","","0.1245","0.0705","","","0.156","0.1827","","","","","","1","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501729","10.55","0.002","22.245","0.004","19.971","0.004","90","","119.66","0.03","90","","4072.8","1.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 N10 Nd2 O25 -","- C30 H36 N10 Nd2 O25 -","- C120 H144 N40 Nd8 O100 -","4","1","","Jing, Xuemin; Meng, He; Li, Guanghua; Yu, Yang; Huo, Qisheng; Eddaoudi, Mohamed; Liu, Yunling","Construction of Three Metal−Organic Frameworks Based on Multifunctional T-Shaped Tripodal Ligands, H3PyImDC","Crystal Growth & Design","2010","10","8","3489","","10.1021/cg1003403","","","0.71073","MoKα","","0.0345","0.0305","","","0.0712","0.0726","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501730","16.847","0.002","20.71","0.004","22.468","0.003","90","","90","","90","","7839","2","296","2","296","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C40 H23 N12 Nd3 O18 -","- C40 N12 Nd3 O18 -","- C320 N96 Nd24 O144 -","8","0.25","","Jing, Xuemin; Meng, He; Li, Guanghua; Yu, Yang; Huo, Qisheng; Eddaoudi, Mohamed; Liu, Yunling","Construction of Three Metal−Organic Frameworks Based on Multifunctional T-Shaped Tripodal Ligands, H3PyImDC","Crystal Growth & Design","2010","10","8","3489","","10.1021/cg1003403","","","0.71073","MoKα","","0.0463","0.0342","","","0.0815","0.0911","","","","","","1.157","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501731","10.39","0.005","5.633","0.002","14.52","0.008","90","","108.238","0.018","90","","807.1","0.7","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Dibenzyl (Z,Z)-muconate (alpha)","","- C20 H18 O4 -","- C20 H18 O4 -","- C40 H36 O8 -","2","0.5","","Nishizawa, Natsuko; Furukawa, Daisuke; Kobatake, Seiya; Matsumoto, Akikazu","Crystal Phase Transition and Solid-State Photoisomerization of Benzyl (Z,Z)-Muconate Polymorphs Studied by Direct Observation of Crystal Structure Change","Crystal Growth & Design","2010","10","7","3203","","10.1021/cg100341g","","","0.71075","MoKα","","0.0984","0.0546","","","0.112","0.1225","","","","","","0.886","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501732","8.5739","0.0014","10.468","0.003","9.359","0.002","90","","96.945","0.011","90","","833.8","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Dibenzyl (Z,Z)-muconate (beta)","","- C20 H18 O4 -","- C20 H18 O4 -","- C40 H36 O8 -","2","0.5","","Nishizawa, Natsuko; Furukawa, Daisuke; Kobatake, Seiya; Matsumoto, Akikazu","Crystal Phase Transition and Solid-State Photoisomerization of Benzyl (Z,Z)-Muconate Polymorphs Studied by Direct Observation of Crystal Structure Change","Crystal Growth & Design","2010","10","7","3203","","10.1021/cg100341g","","","0.71075","MoKα","","0.1115","0.0497","","","0.0987","0.1143","","","","","","0.897","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501733","8.269","0.004","10.415","0.006","9.448","0.004","90","","97.55","0.02","90","","806.6","0.7","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Dibenzyl (Z,Z)-muconate (beta)","","- C20 H18 O4 -","- C20 H18 O4 -","- C40 H36 O8 -","2","0.5","","Nishizawa, Natsuko; Furukawa, Daisuke; Kobatake, Seiya; Matsumoto, Akikazu","Crystal Phase Transition and Solid-State Photoisomerization of Benzyl (Z,Z)-Muconate Polymorphs Studied by Direct Observation of Crystal Structure Change","Crystal Growth & Design","2010","10","7","3203","","10.1021/cg100341g","","","0.71075","MoKα","","0.1015","0.0516","","","0.1204","0.1397","","","","","","0.931","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501734","8.154","0.009","10.567","0.009","9.465","0.011","90","","97.24","0.05","90","","809","1.5","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Dibenzyl (Z,Z)-muconate (69.2%) + dibenzyl (E,E)-muconate (30.8%)","","- C20 H18 O4 -","- C20 H18 O4 -","- C40 H36 O8 -","2","0.5","","Nishizawa, Natsuko; Furukawa, Daisuke; Kobatake, Seiya; Matsumoto, Akikazu","Crystal Phase Transition and Solid-State Photoisomerization of Benzyl (Z,Z)-Muconate Polymorphs Studied by Direct Observation of Crystal Structure Change","Crystal Growth & Design","2010","10","7","3203","","10.1021/cg100341g","","","0.71075","MoKα","","0.1436","0.0553","","","0.1093","0.1334","","","","","","0.898","","","","has coordinates,has disorder","179548","2020-10-21","18:00:00",""
"4501735","10.327","0.004","5.613","0.003","14.453","0.005","90","","108.48","0.02","90","","794.6","0.6","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Dibenzyl (E,E)-muconate","","- C20 H18 O4 -","- C20 H18 O4 -","- C40 H36 O8 -","2","0.5","","Nishizawa, Natsuko; Furukawa, Daisuke; Kobatake, Seiya; Matsumoto, Akikazu","Crystal Phase Transition and Solid-State Photoisomerization of Benzyl (Z,Z)-Muconate Polymorphs Studied by Direct Observation of Crystal Structure Change","Crystal Growth & Design","2010","10","7","3203","","10.1021/cg100341g","","","0.71075","MoKα","","0.0904","0.0683","","","0.1911","0.2102","","","","","","1.06","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501736","5.7625","0.0014","20.403","0.005","7.2285","0.0018","90","","97.975","0.011","90","","841.7","0.4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Dibenzyl (Z,Z)-muconate (gamma)","","- C20 H18 O4 -","- C20 H18 O4 -","- C40 H36 O8 -","2","0.5","","Nishizawa, Natsuko; Furukawa, Daisuke; Kobatake, Seiya; Matsumoto, Akikazu","Crystal Phase Transition and Solid-State Photoisomerization of Benzyl (Z,Z)-Muconate Polymorphs Studied by Direct Observation of Crystal Structure Change","Crystal Growth & Design","2010","10","7","3203","","10.1021/cg100341g","","","0.71075","MoKα","","0.0732","0.0442","","","0.102","0.1107","","","","","","1.028","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501737","5.684","0.005","20.015","0.019","7.178","0.008","90","","98.72","0.05","90","","807.2","1.4","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Dibenzyl (Z,Z)-muconate (gamma)","","- C20 H18 O4 -","- C20 H18 O4 -","- C40 H36 O8 -","2","0.5","","Nishizawa, Natsuko; Furukawa, Daisuke; Kobatake, Seiya; Matsumoto, Akikazu","Crystal Phase Transition and Solid-State Photoisomerization of Benzyl (Z,Z)-Muconate Polymorphs Studied by Direct Observation of Crystal Structure Change","Crystal Growth & Design","2010","10","7","3203","","10.1021/cg100341g","","","0.71075","MoKα","","0.0865","0.05","","","0.1097","0.1199","","","","","","0.95","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501738","5.7566","0.0015","20.295","0.006","7.104","0.002","90","","99.306","0.014","90","","819","0.4","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Dibenzyl (Z,Z)-muconate (87.3%) + dibenzyl (E,E)-muconate (12.7%)","","- C20 H18 O4 -","- C20 H18 O4 -","- C40 H36 O8 -","2","0.5","","Nishizawa, Natsuko; Furukawa, Daisuke; Kobatake, Seiya; Matsumoto, Akikazu","Crystal Phase Transition and Solid-State Photoisomerization of Benzyl (Z,Z)-Muconate Polymorphs Studied by Direct Observation of Crystal Structure Change","Crystal Growth & Design","2010","10","7","3203","","10.1021/cg100341g","","","0.71075","MoKα","","0.0951","0.0671","","","0.1931","0.211","","","","","","1.089","","","","has coordinates,has disorder","179548","2020-10-21","18:00:00",""
"4501739","40.464","0.005","17.43","0.002","27.483","0.004","90","","123.113","0.001","90","","16235","4","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C72 H104 O25 P6 -","- C72 H104 O25 P6 -","- C576 H832 O200 P48 -","8","1","","Clark, Thomas E.; Martin, Adam; Makha, Mohamed; Sobolev, Alexandre N.; Su, Dian; Rohrs, Henry W.; Gross, Michael L.; Raston, Colin L.","Layered Calcium Structures of p-Phosphonic Acid O-Methyl-Calix[6]arene.","Crystal growth & design","2010","10","7","3211","3217","10.1021/cg1003484","","","0.71073","MoKα","","0.1856","0.1489","","","0.3559","0.388","","","","","","1.041","","","","has coordinates,has disorder","179548","2020-10-21","18:00:00",""
"4501740","12.182","0.002","12.332","0.002","13.108","0.002","113.447","0.003","94.212","0.003","108.695","0.003","1664.9","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H70 N4 O42 P6 -","- C48 H70 N4 O42 P6 -","- C48 H70 N4 O42 P6 -","1","0.5","","Clark, Thomas E.; Martin, Adam; Makha, Mohamed; Sobolev, Alexandre N.; Su, Dian; Rohrs, Henry W.; Gross, Michael L.; Raston, Colin L.","Layered Calcium Structures of p-Phosphonic Acid O-Methyl-Calix[6]arene.","Crystal growth & design","2010","10","7","3211","3217","10.1021/cg1003484","","","0.71073","MoKα","","0.0947","0.0697","","","0.1849","0.203","","","","","","1.054","","","","has coordinates,has disorder","179548","2020-10-21","18:00:00",""
"4501741","14.034","0.0004","16.213","0.0005","19.4062","0.0006","110.878","0.003","95.287","0.002","99.2","0.002","4019","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H104 Ca3 O52 P6 -","- C48 H104 Ca3 O52 P6 -","- C96 H208 Ca6 O104 P12 -","2","1","","Clark, Thomas E.; Martin, Adam; Makha, Mohamed; Sobolev, Alexandre N.; Su, Dian; Rohrs, Henry W.; Gross, Michael L.; Raston, Colin L.","Layered Calcium Structures of p-Phosphonic Acid O-Methyl-Calix[6]arene.","Crystal growth & design","2010","10","7","3211","3217","10.1021/cg1003484","","","1.54178","CuKα","","0.0704","0.0362","","","0.0703","0.0752","","","","","","1.004","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501742","11.4113","0.0007","12.9903","0.0009","15.4684","0.0011","112.047","0.007","95.814","0.005","108.467","0.006","1951.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H99 Ca4 O50.5 P6 -","- C48 H98 Ca4 O50.5 P6 -","- C48 H98 Ca4 O50.5 P6 -","1","0.5","","Clark, Thomas E.; Martin, Adam; Makha, Mohamed; Sobolev, Alexandre N.; Su, Dian; Rohrs, Henry W.; Gross, Michael L.; Raston, Colin L.","Layered Calcium Structures of p-Phosphonic Acid O-Methyl-Calix[6]arene.","Crystal growth & design","2010","10","7","3211","3217","10.1021/cg1003484","","","1.54178","CuKα","","0.1082","0.0495","","","0.0942","0.1027","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501743","7.487","0.004","11.314","0.006","13.166","0.007","90","","90","","90","","1115.3","1","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C6 H5 Mn Mo2 N5 O7 -","- C6 H5 Mn Mo2 N5 O7 -","- C24 H20 Mn4 Mo8 N20 O28 -","4","1","","Dong, Ping; Zhang, Qi-Kai; Wang, Fei; Chen, Shan-Ci; Wu, Xiao-Yuan; Zhao, Zhen-Guo; Lu, Can-Zhong","A New Molybdenum-Oxide-Based Organic−Inorganic Hybrid Compound Templated by 5-(2-Pyridyl)tetrazole with New Topology and Canted Antiferromagnetism","Crystal Growth & Design","2010","10","7","3218","","10.1021/cg100349d","","","0.71073","MoKα","","0.0461","0.038","","","0.0941","0.1126","","","","","","1.059","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501744","7.0145","0.0006","9.6647","0.001","13.6322","0.0013","86.145","0.013","85.514","0.01","85.699","0.012","916.99","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 Cd N4 O4 -","- C18 H18 Cd N4 O4 -","- C36 H36 Cd2 N8 O8 -","2","1","","Li, Xiaoju; Weng, Xiulan; Tang, Ruijie; Lin, Yuanmiao; Ke, Zhilong; Zhou, Wenbiao; Cao, Rong","Conformational Isomerism of 1,2-Bis(imidazol-1′-yl)ethane Affected by the Orientation of Functional Carboxylate Groups in Cadmium and Cobalt Helical Coordination Polymers","Crystal Growth & Design","2010","10","7","3228","","10.1021/cg100350b","","","0.71073","MoKα","","0.0528","0.0429","","","0.1088","0.116","","","","","","1.068","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501745","17.8998","0.0017","7.8956","0.0006","13.3048","0.0014","90","","90","","90","","1880.4","0.3","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C9 H9 Cd0.5 N2 O2 -","- C9 H9 Cd0.5 N2 O2 -","- C72 H72 Cd4 N16 O16 -","8","1","","Li, Xiaoju; Weng, Xiulan; Tang, Ruijie; Lin, Yuanmiao; Ke, Zhilong; Zhou, Wenbiao; Cao, Rong","Conformational Isomerism of 1,2-Bis(imidazol-1′-yl)ethane Affected by the Orientation of Functional Carboxylate Groups in Cadmium and Cobalt Helical Coordination Polymers","Crystal Growth & Design","2010","10","7","3228","","10.1021/cg100350b","","","0.71073","MoKα","","0.0534","0.0483","","","0.0877","0.0898","","","","","","1.333","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501746","8.1653","0.0008","7.7354","0.0005","15.2305","0.0011","90","","109.283","0.005","90","","908.02","0.13","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C9 H9 Co0.5 N2 O2 -","- C9 H9 Co0.5 N2 O2 -","- C36 H36 Co2 N8 O8 -","4","1","","Li, Xiaoju; Weng, Xiulan; Tang, Ruijie; Lin, Yuanmiao; Ke, Zhilong; Zhou, Wenbiao; Cao, Rong","Conformational Isomerism of 1,2-Bis(imidazol-1′-yl)ethane Affected by the Orientation of Functional Carboxylate Groups in Cadmium and Cobalt Helical Coordination Polymers","Crystal Growth & Design","2010","10","7","3228","","10.1021/cg100350b","","","0.71073","MoKα","","0.0405","0.0371","","","0.0963","0.0987","","","","","","1.087","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501747","17.64","0.006","7.753","0.003","13.367","0.005","90","","90","","90","","1828.1","1.2","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C9 H9 Co0.5 N2 O2 -","- C9 H9 Co0.5 N2 O2 -","- C72 H72 Co4 N16 O16 -","8","1","","Li, Xiaoju; Weng, Xiulan; Tang, Ruijie; Lin, Yuanmiao; Ke, Zhilong; Zhou, Wenbiao; Cao, Rong","Conformational Isomerism of 1,2-Bis(imidazol-1′-yl)ethane Affected by the Orientation of Functional Carboxylate Groups in Cadmium and Cobalt Helical Coordination Polymers","Crystal Growth & Design","2010","10","7","3228","","10.1021/cg100350b","","","0.71073","MoKα","","0.0428","0.0384","","","0.0895","0.0918","","","","","","1.178","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501748","10.7448","0.0017","36.868","0.006","60.435","0.01","90","","90","","90","","23941","7","173","2","173","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C27 H18 N O4 Zn -","- C27 H18 N O4 Zn -","- C864 H576 N32 O128 Zn32 -","32","1","","Song, Xiaokai; Liu, Xinfang; Oh, Minhak; Lah, Myoung Soo","A Microporous Metal−Organic Framework Based on [2 + 2] Parallel and Inclined Interpenetrated 2D Sheets Interconnected by an Auxiliary Linker","Crystal Growth & Design","2010","10","7","3222","","10.1021/cg100357q","","","0.71073","MoKα","","0.1257","0.0774","","","0.1897","0.2103","","","","","","0.958","","","","has coordinates,has disorder","179548","2020-10-21","18:00:00",""
"4501749","9.6497","0.0004","18.7034","0.0007","17.8872","0.0006","90","","116.027","0.002","90","","2900.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Cu N12 O11 -","- C24 H22 Cu N12 O11 -","- C96 H88 Cu4 N48 O44 -","4","1","","Das, Babulal; Baruah, Jubaraj B.","Protonated Adenine and Cytosine Ribbons Stabilized by Dipicolinato Metal Frameworks","Crystal Growth & Design","2010","10","7","3242","","10.1021/cg100371w","","","0.71073","MoKα","","0.0637","0.0384","","","0.0829","0.0937","","","","","","0.999","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501750","9.707","0.002","18.695","0.003","17.37","0.003","90","","112.008","0.014","90","","2922.5","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Mn N12 O11 -","- C24 H18 Mn N12 O11 -","- C96 H72 Mn4 N48 O44 -","4","1","","Das, Babulal; Baruah, Jubaraj B.","Protonated Adenine and Cytosine Ribbons Stabilized by Dipicolinato Metal Frameworks","Crystal Growth & Design","2010","10","7","3242","","10.1021/cg100371w","","","0.71073","MoKα","","0.1029","0.0774","","","0.1803","0.2491","","","","","","0.988","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501751","9.4706","0.0004","11.8131","0.0004","13.4429","0.0005","77.635","0.002","84.664","0.002","82.454","0.002","1453.07","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 Cu N8 O15 -","- C22 H28 Cu N8 O15 -","- C44 H56 Cu2 N16 O30 -","2","1","","Das, Babulal; Baruah, Jubaraj B.","Protonated Adenine and Cytosine Ribbons Stabilized by Dipicolinato Metal Frameworks","Crystal Growth & Design","2010","10","7","3242","","10.1021/cg100371w","","","0.71073","MoKα","","0.0372","0.0321","","","0.089","0.0916","","","","","","0.992","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501752","9.4076","0.0003","11.8945","0.0005","13.4682","0.0005","77.712","0.002","84.142","0.002","82.466","0.002","1455.55","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 N8 O15 Zn -","- C22 H28 N8 O15 Zn -","- C44 H56 N16 O30 Zn2 -","2","1","","Das, Babulal; Baruah, Jubaraj B.","Protonated Adenine and Cytosine Ribbons Stabilized by Dipicolinato Metal Frameworks","Crystal Growth & Design","2010","10","7","3242","","10.1021/cg100371w","","","0.71073","MoKα","","0.0376","0.0335","","","0.0923","0.095","","","","","","1.013","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501753","10.5913","0.0004","13.009","0.0004","16.502","0.0005","73.77","0.002","79.787","0.002","73.752","0.002","2083.73","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 Mn N14 O19 -","- C30 H30 Mn N14 O19 -","- C60 H60 Mn2 N28 O38 -","2","1","","Das, Babulal; Baruah, Jubaraj B.","Protonated Adenine and Cytosine Ribbons Stabilized by Dipicolinato Metal Frameworks","Crystal Growth & Design","2010","10","7","3242","","10.1021/cg100371w","","","0.71073","MoKα","","0.0892","0.0606","","","0.2155","0.2399","","","","","","1.007","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501754","15.9668","0.0004","17.7252","0.0004","11.5612","0.0004","90","","90","","90","","3271.99","0.16","296","2","296","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C29 H25 Ce N9 O16 -","- C29 H25 Ce N9 O16 -","- C116 H100 Ce4 N36 O64 -","4","0.5","","Das, Babulal; Baruah, Jubaraj B.","Protonated Adenine and Cytosine Ribbons Stabilized by Dipicolinato Metal Frameworks","Crystal Growth & Design","2010","10","7","3242","","10.1021/cg100371w","","","0.71073","MoKα","","0.0406","0.0345","","","0.0818","0.0851","","","","","","0.985","","","","has coordinates","268283","2021-08-30","06:31:23",""
"4501755","11.7732","0.0006","12.3819","0.0006","13.3803","0.0007","107.692","0.002","90.626","0.003","97.04","0.003","1841.85","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H29 Ce N13 O16 -","- C31 H21 Ce N13 O16.77 -","- C62 H42 Ce2 N26 O33.54 -","2","1","","Das, Babulal; Baruah, Jubaraj B.","Protonated Adenine and Cytosine Ribbons Stabilized by Dipicolinato Metal Frameworks","Crystal Growth & Design","2010","10","7","3242","","10.1021/cg100371w","","","0.71073","MoKα","","0.0926","0.0658","","","0.2344","0.2472","","","","","","1.02","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501756","29.4","0.02","29.4","0.02","24.86","0.03","90","","90","","120","","18609","3","293","2","198","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C28 H22 Co4 N2 O14 -","- C28 H22 Co4 N2 O14 -","- C504 H396 Co72 N36 O252 -","18","1","","Baillargeon, Pierre; Fortin, Daniel; Dory, Yves L.","Hierarchical Self-Assembly of Lactams into Supramolecular CO-Spiked “Sea Urchins” and Then into a Channeled Crystal","Crystal Growth & Design","2010","10","10","4357","","10.1021/cg1003935","","","0.71073","MoKα","","0.6822","0.1998","","","0.1825","0.2761","","","","","","0.758","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501757","13.031","0.012","13.949","0.018","15.014","0.015","87.18","0.1","89.84","0.09","67.17","0.09","2512","5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H33 Co6 N3 O21 -","- C42 H33 Co6 N3 O21 -","- C84 H66 Co12 N6 O42 -","2","1","","Baillargeon, Pierre; Fortin, Daniel; Dory, Yves L.","Hierarchical Self-Assembly of Lactams into Supramolecular CO-Spiked “Sea Urchins” and Then into a Channeled Crystal","Crystal Growth & Design","2010","10","10","4357","","10.1021/cg1003935","","","1.54176","CuKα","","0.3738","0.1246","","","0.2556","0.3338","","","","","","0.85","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501758","19.91","0.003","19.91","0.003","20.117","0.003","90","","90","","120","","6906.2","1.8","200","","200","","","","","","","","","6","P 63","P 6c","173","","[Zn8Co(F1)5(124-btac)6(H2O)5]-12.7(H2O)","","- C129 H113.4 Co N30 O53.7 Zn8 -","- C129 H78 Co N30 O53.7 Zn8 -","- C258 H156 Co2 N60 O107.4 Zn16 -","2","0.333333","","Su, Zhi; Fan, Jian; Okamura, Taka-aki; Sun, Wei-Yin; Ueyama, Norikazu","Ligand-Directed and pH-Controlled Assembly of Chiral 3d−3d Heterometallic Metal−Organic Frameworks","Crystal Growth & Design","2010","10","8","3515","","10.1021/cg100418a","","","0.71075","MoKα","","0.1018","0.0827","","","0.2111","0.2223","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501759","7.1599","0.0009","39.159","0.005","9.7127","0.0012","90","","90","","90","","2723.2","0.6","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Cl Co N6 O11 Zn -","- C24 H15 Cl Co N6 O11 Zn -","- C96 H60 Cl4 Co4 N24 O44 Zn4 -","4","1","","Su, Zhi; Fan, Jian; Okamura, Taka-aki; Sun, Wei-Yin; Ueyama, Norikazu","Ligand-Directed and pH-Controlled Assembly of Chiral 3d−3d Heterometallic Metal−Organic Frameworks","Crystal Growth & Design","2010","10","8","3515","","10.1021/cg100418a","","","0.71073","MoKα","","0.0978","0.063","","","0.139","0.1558","","","","","","0.964","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501760","8.6817","0.0009","16.8803","0.0018","15.6226","0.0016","90","","95.541","0.002","90","","2278.8","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 Cl Co N6 O6 Zn -","- C24 H14 Cl Co N6 O6 Zn -","- C96 H56 Cl4 Co4 N24 O24 Zn4 -","4","1","","Su, Zhi; Fan, Jian; Okamura, Taka-aki; Sun, Wei-Yin; Ueyama, Norikazu","Ligand-Directed and pH-Controlled Assembly of Chiral 3d−3d Heterometallic Metal−Organic Frameworks","Crystal Growth & Design","2010","10","8","3515","","10.1021/cg100418a","","","0.71073","MoKα","","0.0613","0.0464","","","0.1204","0.1291","","","","","","0.994","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501761","15.9934","0.0012","9.1122","0.0007","9.9053","0.0008","90","","90","","90","","1443.55","0.19","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H8 Cd O8 -","- C16 H8 Cd O8 -","- C64 H32 Cd4 O32 -","4","0.5","","Wen, Li-Li; Wang, Feng; Leng, Xiao-Ke; Wang, Cheng-Gang; Wang, Lian-Yi; Gong, Jing-Ming; Li, Dong-Feng","Efficient Detection of Organophosphate Pesticide Based on a Metal−Organic Framework Derived from Biphenyltetracarboxylic Acid","Crystal Growth & Design","2010","10","7","2835","","10.1021/cg1004352","","","0.71073","MoKα","","0.0283","0.0205","","","0.0522","0.0563","","","","","","1.044","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501762","14.315","0.002","3.6238","0.0005","10.6158","0.0015","90","","101.119","0.002","90","","540.35","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 N3 O -","- C5 H5 N3 O -","- C20 H20 N12 O4 -","4","1","","Cherukuvada, Suryanarayan; Thakuria, Ranjit; Nangia, Ashwini","Pyrazinamide Polymorphs: Relative Stability and Vibrational Spectroscopy","Crystal Growth & Design","2010","10","9","3931","","10.1021/cg1004424","","","0.71073","MoKα","","0.0349","0.034","","","0.088","0.0886","","","","","","1.121","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501763","7.1756","0.0014","3.6508","0.0007","10.663","0.002","90","","106.337","0.003","90","","268.06","0.09","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C5 H5 N3 O -","- C5 H5 N3 O -","- C10 H10 N6 O2 -","2","1","","Cherukuvada, Suryanarayan; Thakuria, Ranjit; Nangia, Ashwini","Pyrazinamide Polymorphs: Relative Stability and Vibrational Spectroscopy","Crystal Growth & Design","2010","10","9","3931","","10.1021/cg1004424","","","0.71073","MoKα","","0.0394","0.0392","","","0.096","0.0961","","","","","","1.116","","","","has coordinates,has disorder","179548","2020-10-21","18:00:00",""
"4501764","7.17","0.003","3.6477","0.0015","10.648","0.004","90","","106.35","0.006","90","","267.23","0.19","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C5 H5 N3 O -","- C5 H5 N3 O -","- C10 H10 N6 O2 -","2","1","","Cherukuvada, Suryanarayan; Thakuria, Ranjit; Nangia, Ashwini","Pyrazinamide Polymorphs: Relative Stability and Vibrational Spectroscopy","Crystal Growth & Design","2010","10","9","3931","","10.1021/cg1004424","","","0.71073","MoKα","","0.0819","0.0796","","","0.2145","0.2166","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501765","8.8381","0.0009","11.7662","0.0012","23.36","0.002","90","","90","","90","","2429.2","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H24 As2 Cl2 S4 -","- C20 H24 As2 Cl2 S4 -","- C80 H96 As8 Cl8 S16 -","4","0.5","","Cangelosi, Virginia M.; Pitt, Melanie A.; Vickaryous, W. Jake; Allen, Corinne A.; Zakharov, Lev N.; Johnson, Darren W.","Design Considerations for the Group 15 Elements: The Pnictogen···π Interaction As a Complementary Component in Supramolecular Assembly Design","Crystal Growth & Design","2010","10","8","3531","","10.1021/cg100444n","","","0.71073","MoKα","","0.0502","0.0349","","","0.0688","0.0801","","","","","","1.12","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501766","21.835","0.004","5.9187","0.0012","23.211","0.005","90","","115.401","0.003","90","","2709.7","0.9","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H27 As S3 -","- C33 H27 As S3 -","- C132 H108 As4 S12 -","4","1","","Cangelosi, Virginia M.; Pitt, Melanie A.; Vickaryous, W. Jake; Allen, Corinne A.; Zakharov, Lev N.; Johnson, Darren W.","Design Considerations for the Group 15 Elements: The Pnictogen···π Interaction As a Complementary Component in Supramolecular Assembly Design","Crystal Growth & Design","2010","10","8","3531","","10.1021/cg100444n","","","0.71073","MoKα","","0.0942","0.0544","","","0.113","0.1365","","","","","","1.049","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501767","15.8","0.003","8.5958","0.0017","18.46","0.004","90","","90","","90","","2507.1","0.9","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C10 H10 Li2 N2 O5 -","- C10 H10 Li2 N2 O5 -","- C80 H80 Li16 N16 O40 -","8","1","","Banerjee, Debasis; Kim, Sun Jin; Li, Wei; Wu, Haohan; Li, Jing; Borkowski, Lauren A.; Philips, Brian L.; Parise, John B.","Synthesis and Structural Characterization of a 3-D Lithium Based Metal−Organic Framework Showing Dynamic Structural Behavior","Crystal Growth & Design","2010","10","6","2801","","10.1021/cg100449z","","","0.71073","MoKα","","0.0579","0.0475","","","0.1403","0.1499","","","","","","1.058","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501768","8.7337","0.0003","8.7337","0.0003","30.2147","0.0012","90","","90","","90","","2304.7","0.14","","","","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C12 H13 O2 S -","- C12 H13 O2 S -","- C96 H104 O16 S8 -","8","1","","Lee, Tu; Peng, Jen Fan","Photoluminescence and Crystal Structures of Chiro-Optical 1,1′-Bi-2-naphthol Crystals and Their Inclusion Compounds with Dimethyl Sulfoxide","Crystal Growth & Design","2010","10","8","3547","","10.1021/cg1004648","","","","","","0.136","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501769","10.8108","0.0004","10.8108","0.0004","10.8845","0.0004","90","","90","","120","","1101.68","0.07","","","","","","","","","","","","3","P 31","P 31","144","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C60 H42 O6 -","3","1","","Lee, Tu; Peng, Jen Fan","Photoluminescence and Crystal Structures of Chiro-Optical 1,1′-Bi-2-naphthol Crystals and Their Inclusion Compounds with Dimethyl Sulfoxide","Crystal Growth & Design","2010","10","8","3547","","10.1021/cg1004648","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501770","8.625","0.007","8.999","0.006","29.81","0.02","90","","93.462","0.014","90","","2310","3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 O4 S2 -","- C24 H26 O4 S2 -","- C96 H104 O16 S8 -","4","1","","Lee, Tu; Peng, Jen Fan","Photoluminescence and Crystal Structures of Chiro-Optical 1,1′-Bi-2-naphthol Crystals and Their Inclusion Compounds with Dimethyl Sulfoxide","Crystal Growth & Design","2010","10","8","3547","","10.1021/cg1004648","","","0.71073","MoKα","","0.1273","0.082","","","0.2251","0.2542","","","","","","1.05","","","","has coordinates,has disorder","179548","2020-10-21","18:00:00",""
"4501771","15.7042","0.0008","21.6248","0.0013","8.6312","0.0006","90","","90","","90","","2931.2","0.3","","","","","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C160 H112 O16 -","8","1","","Lee, Tu; Peng, Jen Fan","Photoluminescence and Crystal Structures of Chiro-Optical 1,1′-Bi-2-naphthol Crystals and Their Inclusion Compounds with Dimethyl Sulfoxide","Crystal Growth & Design","2010","10","8","3547","","10.1021/cg1004648","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501772","8.7358","0.0002","8.7358","0.0002","30.2334","0.0007","90","","90","","90","","2307.24","0.09","","","","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C24 H26 O4 S2 -","- C24 H26 O4 S2 -","- C96 H104 O16 S8 -","4","0.5","","Lee, Tu; Peng, Jen Fan","Photoluminescence and Crystal Structures of Chiro-Optical 1,1′-Bi-2-naphthol Crystals and Their Inclusion Compounds with Dimethyl Sulfoxide","Crystal Growth & Design","2010","10","8","3547","","10.1021/cg1004648","","","","","","0.115","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501773","9.282","0.005","19.703","0.01","9.43","0.005","90","","99.093","0.008","90","","1702.9","1.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 Co N10 O -","- C16 H8 Co N10 O -","- C64 H32 Co4 N40 O4 -","4","1","","Du, Miao; Wang, Qian; Li, Cheng-Peng; Zhao, Xiao-Jun; Ribas, Joan","Coordination Assemblies of CoII/CuII/ZnII/CdIIwith 2,5-Bipyridyl-1,3,4-Oxadiazole and Dicyanamide Anion: Structural Diversification and Properties","Crystal Growth & Design","2010","10","7","3285","","10.1021/cg100465u","","","0.71073","MoKα","","0.0875","0.051","","","0.1171","0.1296","","","","","","1.086","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501774","7.322","0.002","9.786","0.007","14.75","0.002","77.69","0.02","86.92","0.02","70.11","0.03","970.8","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H11 Cu N11 O -","- C18 H11 Cu N11 O -","- C36 H22 Cu2 N22 O2 -","2","1","","Du, Miao; Wang, Qian; Li, Cheng-Peng; Zhao, Xiao-Jun; Ribas, Joan","Coordination Assemblies of CoII/CuII/ZnII/CdIIwith 2,5-Bipyridyl-1,3,4-Oxadiazole and Dicyanamide Anion: Structural Diversification and Properties","Crystal Growth & Design","2010","10","7","3285","","10.1021/cg100465u","","","0.71073","MoKα","","0.1125","0.0512","","","0.0738","0.083","","","","","","0.96","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501775","9.188","0.002","19.884","0.004","9.509","0.002","90","","96.612","0.003","90","","1725.7","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15.5 H10 N9 O3 Zn -","- C15.5 H10 N9 O3 Zn -","- C62 H40 N36 O12 Zn4 -","4","1","","Du, Miao; Wang, Qian; Li, Cheng-Peng; Zhao, Xiao-Jun; Ribas, Joan","Coordination Assemblies of CoII/CuII/ZnII/CdIIwith 2,5-Bipyridyl-1,3,4-Oxadiazole and Dicyanamide Anion: Structural Diversification and Properties","Crystal Growth & Design","2010","10","7","3285","","10.1021/cg100465u","","","0.71073","MoKα","","0.0366","0.0308","","","0.0765","0.0786","","","","","","1.043","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4501776","7.4189","0.0006","14.043","0.001","18.562","0.001","81.183","0.001","83.27","0.001","78.316","0.001","1864","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H19 Cd2 N21 O2 -","- C34 H19 Cd2 N21 O2 -","- C68 H38 Cd4 N42 O4 -","2","1","","Du, Miao; Wang, Qian; Li, Cheng-Peng; Zhao, Xiao-Jun; Ribas, Joan","Coordination Assemblies of CoII/CuII/ZnII/CdIIwith 2,5-Bipyridyl-1,3,4-Oxadiazole and Dicyanamide Anion: Structural Diversification and Properties","Crystal Growth & Design","2010","10","7","3285","","10.1021/cg100465u","","","0.71073","MoKα","","0.0272","0.0215","","","0.0578","0.06","","","","","","1.063","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501777","15.047","0.004","7.189","0.002","15.349","0.005","90","","109.714","0.004","90","","1563","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Co N14 O6 -","- C28 H24 Co N14 O6 -","- C56 H48 Co2 N28 O12 -","2","0.5","","Du, Miao; Wang, Qian; Li, Cheng-Peng; Zhao, Xiao-Jun; Ribas, Joan","Coordination Assemblies of CoII/CuII/ZnII/CdIIwith 2,5-Bipyridyl-1,3,4-Oxadiazole and Dicyanamide Anion: Structural Diversification and Properties","Crystal Growth & Design","2010","10","7","3285","","10.1021/cg100465u","","","0.71073","MoKα","","0.069","0.0379","","","0.0891","0.1147","","","","","","1.072","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501778","27.4504","0.0013","12.196","0.0006","11.6371","0.0006","90","","108.087","0.001","90","","3703.4","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Cu N8 O7 -","- C14 H14 Cu N8 O7 -","- C112 H112 Cu8 N64 O56 -","8","1","","Du, Miao; Wang, Qian; Li, Cheng-Peng; Zhao, Xiao-Jun; Ribas, Joan","Coordination Assemblies of CoII/CuII/ZnII/CdIIwith 2,5-Bipyridyl-1,3,4-Oxadiazole and Dicyanamide Anion: Structural Diversification and Properties","Crystal Growth & Design","2010","10","7","3285","","10.1021/cg100465u","","","0.71073","MoKα","","0.0403","0.0353","","","0.0951","0.099","","","","","","1.042","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501779","7.612","0.006","11.384","0.008","12.991","0.01","66.063","0.008","75.35","0.009","89.723","0.01","989.4","1.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H20 Cl2 N20 O4 Zn3 -","- C32 H20 Cl2 N20 O4 Zn3 -","- C32 H20 Cl2 N20 O4 Zn3 -","1","0.5","","Du, Miao; Wang, Qian; Li, Cheng-Peng; Zhao, Xiao-Jun; Ribas, Joan","Coordination Assemblies of CoII/CuII/ZnII/CdIIwith 2,5-Bipyridyl-1,3,4-Oxadiazole and Dicyanamide Anion: Structural Diversification and Properties","Crystal Growth & Design","2010","10","7","3285","","10.1021/cg100465u","","","0.71073","MoKα","","0.0502","0.0342","","","0.0871","0.0921","","","","","","1.089","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501780","8.015","0.002","14.812","0.004","16.504","0.005","90","","111.723","0.005","90","","1820.2","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 Cd N10 O -","- C16 H8 Cd N10 O -","- C64 H32 Cd4 N40 O4 -","4","1","","Du, Miao; Wang, Qian; Li, Cheng-Peng; Zhao, Xiao-Jun; Ribas, Joan","Coordination Assemblies of CoII/CuII/ZnII/CdIIwith 2,5-Bipyridyl-1,3,4-Oxadiazole and Dicyanamide Anion: Structural Diversification and Properties","Crystal Growth & Design","2010","10","7","3285","","10.1021/cg100465u","","","0.71073","MoKα","","0.124","0.0475","","","0.0802","0.094","","","","","","1.114","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501781","8.206","0.0016","8.692","0.0017","12.905","0.003","92.94","0.03","105.46","0.03","110.34","0.03","821.2","0.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 Cd5 N34 O2 -","- C12.024 H16.048 Cd5 N34 O2 -","- C12.024 H16.048 Cd5 N34 O2 -","1","0.5","","Cui, Ping; Chen, Zhi; Gao, Dongliang; Zhao, Bin; Shi, Wei; Cheng, Peng","Syntheses, Structures, and Photoluminescence of a Series of Three-Dimensional Cd(II) Frameworks with a Flexible Ligand, 1,5-Bis(5-tetrazolo)-3-oxapentane","Crystal Growth & Design","2010","10","10","4370","","10.1021/cg100467p","","","0.71073","MoKα","","0.0472","0.0452","","","0.1267","0.1283","","","","","","1.067","","","","has coordinates,has disorder","179548","2020-10-21","18:00:00",""
"4501782","8.0489","0.0016","8.4254","0.0017","13.213","0.005","93.17","0.03","107.53","0.03","109.1","0.03","795.5","0.5","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H16 Cd5 Cl2 N28 O2 -","- C12 H16 Cd5 Cl2 N28 O2 -","- C12 H16 Cd5 Cl2 N28 O2 -","1","0.5","","Cui, Ping; Chen, Zhi; Gao, Dongliang; Zhao, Bin; Shi, Wei; Cheng, Peng","Syntheses, Structures, and Photoluminescence of a Series of Three-Dimensional Cd(II) Frameworks with a Flexible Ligand, 1,5-Bis(5-tetrazolo)-3-oxapentane","Crystal Growth & Design","2010","10","10","4370","","10.1021/cg100467p","","","0.71073","MoKα","","0.0273","0.024","","","0.0631","0.0642","","","","","","1.074","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501783","8.0685","0.0016","8.311","0.0017","13.313","0.003","93.53","0.03","106.74","0.03","109.18","0.03","795.3","0.4","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H16 Br2 Cd5 N28 O2 -","- C12 H16 Br2 Cd5 N28 O2 -","- C12 H16 Br2 Cd5 N28 O2 -","1","0.5","","Cui, Ping; Chen, Zhi; Gao, Dongliang; Zhao, Bin; Shi, Wei; Cheng, Peng","Syntheses, Structures, and Photoluminescence of a Series of Three-Dimensional Cd(II) Frameworks with a Flexible Ligand, 1,5-Bis(5-tetrazolo)-3-oxapentane","Crystal Growth & Design","2010","10","10","4370","","10.1021/cg100467p","","","0.71073","MoKα","","0.0805","0.0532","","","0.128","0.1397","","","","","","1.054","","","","has coordinates,has disorder","179548","2020-10-21","18:00:00",""
"4501784","14.207","0.002","9.918","0.003","16.545","0.003","90","","90","","90","","2331.3","0.9","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H16 Cd3 N22 O2 -","- C12 H16 Cd3 N22 O2 -","- C48 H64 Cd12 N88 O8 -","4","0.5","","Cui, Ping; Chen, Zhi; Gao, Dongliang; Zhao, Bin; Shi, Wei; Cheng, Peng","Syntheses, Structures, and Photoluminescence of a Series of Three-Dimensional Cd(II) Frameworks with a Flexible Ligand, 1,5-Bis(5-tetrazolo)-3-oxapentane","Crystal Growth & Design","2010","10","10","4370","","10.1021/cg100467p","","","0.71073","MoKα","","0.0208","0.0178","","","0.0387","0.04","","","","","","1.116","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501785","14.2128","0.0004","9.8325","0.0002","16.3309","0.0004","90","","90","","90","","2282.2","0.1","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H16 Cd3 Cl2 N16 O2 -","- C12 H16 Cd3 Cl2 N16 O2 -","- C48 H64 Cd12 Cl8 N64 O8 -","4","0.5","","Cui, Ping; Chen, Zhi; Gao, Dongliang; Zhao, Bin; Shi, Wei; Cheng, Peng","Syntheses, Structures, and Photoluminescence of a Series of Three-Dimensional Cd(II) Frameworks with a Flexible Ligand, 1,5-Bis(5-tetrazolo)-3-oxapentane","Crystal Growth & Design","2010","10","10","4370","","10.1021/cg100467p","","","0.71073","MoKα","","0.0195","0.0176","","","0.0412","0.0417","","","","","","1.139","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501786","14.3329","0.0009","9.8015","0.0006","16.5134","0.001","90","","90","","90","","2319.9","0.2","113","2","113","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H16 Br2 Cd3 N16 O2 -","- C12 H16 Br2 Cd3 N16 O2 -","- C48 H64 Br8 Cd12 N64 O8 -","4","0.5","","Cui, Ping; Chen, Zhi; Gao, Dongliang; Zhao, Bin; Shi, Wei; Cheng, Peng","Syntheses, Structures, and Photoluminescence of a Series of Three-Dimensional Cd(II) Frameworks with a Flexible Ligand, 1,5-Bis(5-tetrazolo)-3-oxapentane","Crystal Growth & Design","2010","10","10","4370","","10.1021/cg100467p","","","0.71075","MoKα","","0.0358","0.0321","","","0.0871","0.0893","","","","","","1.12","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501787","28.697","0.004","15.767","0.002","5.108","0.0007","90","","90","","90","","2311.2","0.5","100","2","100","2","","","","","","","","5","P n 21 a","P -2ac -2n","33","3-(N9-adeninyl)propanoic acid.HCl","6-amino-9-(2-carboxyethyl)-9H-purin-1-ium chloride","","- C8 H12 Cl N5 O3 -","- C8 H12 Cl N5 O3 -","- C64 H96 Cl8 N40 O24 -","8","2","","Kumar, Jitendra; Awasthi, Shubhra; Verma, Sandeep","Contrasting Crystallographic Signatures of 9-Carboxypropyl Adeninium Cation: Adenine Dimerization vs Carboxylic Group Interaction","Crystal Growth & Design","2010","10","8","3555","","10.1021/cg100470u","","","0.71073","MoKα","","0.0718","0.0551","","","0.1362","0.152","","","","","","1.014","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501788","7.36","0.0015","5.747","0.0012","26.776","0.006","90","","93.368","0.004","90","","1130.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-(N9-adeninyl)propanoic acid.HNO3","6-amino-9-(2-carboxyethyl)-9H-purin-1-ium nitrate","","- C8 H10 N6 O5 -","- C8 H10 N6 O5 -","- C32 H40 N24 O20 -","4","1","","Kumar, Jitendra; Awasthi, Shubhra; Verma, Sandeep","Contrasting Crystallographic Signatures of 9-Carboxypropyl Adeninium Cation: Adenine Dimerization vs Carboxylic Group Interaction","Crystal Growth & Design","2010","10","8","3555","","10.1021/cg100470u","","","0.71073","MoKα","","0.0961","0.0567","","","0.138","0.1871","","","","","","1.082","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501789","19.2331","0.0014","7.8223","0.0006","14.476","0.0011","90","","90","","90","","2177.9","0.3","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","3-(N9-adeninyl)propanoic acid.HNO3","6-amino-9-(2-carboxyethyl)-9H-purin-1-ium nitrate","","- C8 H10 N6 O5 -","- C8 H10 N6 O5 -","- C64 H80 N48 O40 -","8","1","","Kumar, Jitendra; Awasthi, Shubhra; Verma, Sandeep","Contrasting Crystallographic Signatures of 9-Carboxypropyl Adeninium Cation: Adenine Dimerization vs Carboxylic Group Interaction","Crystal Growth & Design","2010","10","8","3555","","10.1021/cg100470u","","","0.71073","MoKα","","0.0634","0.0438","","","0.1037","0.1363","","","","","","1.115","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501790","5.108","0.0012","13.619","0.003","12.011","0.003","90","","97.052","0.004","90","","829.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","3-(N9-adeninyl)propanoic acid.2TFA","6-amino-9-(2-carboxyethyl)-9H-purin-1-ium trifluoro acetate.TFA","","- C12 H11 F6 N5 O6 -","- C12 H11 F6 N5 O6 -","- C24 H22 F12 N10 O12 -","2","1","","Kumar, Jitendra; Awasthi, Shubhra; Verma, Sandeep","Contrasting Crystallographic Signatures of 9-Carboxypropyl Adeninium Cation: Adenine Dimerization vs Carboxylic Group Interaction","Crystal Growth & Design","2010","10","8","3555","","10.1021/cg100470u","","","0.71069","MoKα","","0.0655","0.045","","","0.103","0.1441","","","","","","1.189","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501791","8.354","0.0017","14.328","0.003","11.878","0.002","90","","99.565","0.003","90","","1402","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3-(N9-adeninyl)propanoic acid.HClO4","6-amino-9-(2-carboxyethyl)-9H-purin-1-ium perchlorate","","- C8 H14 Cl N5 O8 -","- C8 H14 Cl N5 O8 -","- C32 H56 Cl4 N20 O32 -","4","1","","Kumar, Jitendra; Awasthi, Shubhra; Verma, Sandeep","Contrasting Crystallographic Signatures of 9-Carboxypropyl Adeninium Cation: Adenine Dimerization vs Carboxylic Group Interaction","Crystal Growth & Design","2010","10","8","3555","","10.1021/cg100470u","","","0.71073","MoKα","","0.0833","0.0553","","","0.1348","0.1973","","","","","","1.156","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501792","5.408","0.002","8.04","0.003","28.37","0.012","90","","90","","90","","1233.5","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N O8 -","- C12 H13 N O8 -","- C48 H52 N4 O32 -","4","1","","Kavuru, Padmini; Aboarayes, Dalia; Arora, Kapildev K.; Clarke, Heather D.; Kennedy, Alyssa; Marshall, Lissette; Ong, Tien Teng; Perman, Jason; Pujari, Twarita; Wojtas, Łukasz; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Hydrogen Bonds Between Carboxylates and Weakly Acidic Hydroxyl Moieties in Cocrystals of Zwitterions","Crystal Growth & Design","2010","10","8","3568","3584","10.1021/cg100484a","","","0.71073","MoKα","","0.0786","0.0668","","","0.1349","0.1399","","","","","","1.137","","","","has coordinates","211085","2020-10-21","18:00:00",""
"4501793","5.223","0.002","8.486","0.003","12.871","0.004","90","","95.22","0.006","90","","568.1","0.3","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H15 N O8 -","- C9 H15 N O8 -","- C18 H30 N2 O16 -","2","1","","Kavuru, Padmini; Aboarayes, Dalia; Arora, Kapildev K.; Clarke, Heather D.; Kennedy, Alyssa; Marshall, Lissette; Ong, Tien Teng; Perman, Jason; Pujari, Twarita; Wojtas, Łukasz; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Hydrogen Bonds Between Carboxylates and Weakly Acidic Hydroxyl Moieties in Cocrystals of Zwitterions","Crystal Growth & Design","2010","10","8","3568","3584","10.1021/cg100484a","","","0.71073","MoKα","","0.0446","0.0388","","","0.0812","0.0845","","","","","","1.037","","","","has coordinates","211085","2020-10-21","18:00:00",""
"4501794","7.2174","0.0003","9.1125","0.0004","10.4125","0.0004","90","","96.479","0.003","90","","680.44","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H19 N O8 -","- C11 H19 N O8 -","- C22 H38 N2 O16 -","2","1","","Kavuru, Padmini; Aboarayes, Dalia; Arora, Kapildev K.; Clarke, Heather D.; Kennedy, Alyssa; Marshall, Lissette; Ong, Tien Teng; Perman, Jason; Pujari, Twarita; Wojtas, Łukasz; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Hydrogen Bonds Between Carboxylates and Weakly Acidic Hydroxyl Moieties in Cocrystals of Zwitterions","Crystal Growth & Design","2010","10","8","3568","3584","10.1021/cg100484a","","","1.54178","CuKα","","0.0312","0.0282","","","0.0701","0.0712","","","","","","1.132","","","","has coordinates","211085","2020-10-21","18:00:00",""
"4501795","9.8686","0.0004","12.07","0.0004","19.9224","0.0007","90","","97.46","0.002","90","","2352.95","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 N O4 -","- C11 H17 N O4 -","- C88 H136 N8 O32 -","8","2","","Kavuru, Padmini; Aboarayes, Dalia; Arora, Kapildev K.; Clarke, Heather D.; Kennedy, Alyssa; Marshall, Lissette; Ong, Tien Teng; Perman, Jason; Pujari, Twarita; Wojtas, Łukasz; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Hydrogen Bonds Between Carboxylates and Weakly Acidic Hydroxyl Moieties in Cocrystals of Zwitterions","Crystal Growth & Design","2010","10","8","3568","3584","10.1021/cg100484a","","","1.54178","CuKα","","0.0585","0.043","","","0.1149","0.1216","","","","","","1.115","","","","has coordinates","211085","2020-10-21","18:00:00",""
"4501796","6.9856","0.0001","14.7063","0.0002","12.7854","0.0002","90","","97.184","0.001","90","","1303.16","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 N O7 -","- C12 H17 N O7 -","- C48 H68 N4 O28 -","4","1","","Kavuru, Padmini; Aboarayes, Dalia; Arora, Kapildev K.; Clarke, Heather D.; Kennedy, Alyssa; Marshall, Lissette; Ong, Tien Teng; Perman, Jason; Pujari, Twarita; Wojtas, Łukasz; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Hydrogen Bonds Between Carboxylates and Weakly Acidic Hydroxyl Moieties in Cocrystals of Zwitterions","Crystal Growth & Design","2010","10","8","3568","3584","10.1021/cg100484a","","","1.54178","CuKα","","0.0312","0.0288","","","0.0744","0.0763","","","","","","1.029","","","","has coordinates","211085","2020-10-21","18:00:00",""
"4501797","9.5079","0.0003","9.692","0.0003","26.9227","0.0008","90","","90","","90","","2480.94","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 N2 O8 -","- C24 H36 N2 O8 -","- C96 H144 N8 O32 -","4","1","","Kavuru, Padmini; Aboarayes, Dalia; Arora, Kapildev K.; Clarke, Heather D.; Kennedy, Alyssa; Marshall, Lissette; Ong, Tien Teng; Perman, Jason; Pujari, Twarita; Wojtas, Łukasz; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Hydrogen Bonds Between Carboxylates and Weakly Acidic Hydroxyl Moieties in Cocrystals of Zwitterions","Crystal Growth & Design","2010","10","8","3568","3584","10.1021/cg100484a","","","1.54178","CuKα","","0.0381","0.0335","","","0.0815","0.0842","","","","","","1.034","","","","has coordinates","211085","2020-10-21","18:00:00",""
"4501798","8.242","0.003","10.427","0.004","12.761","0.005","87.722","0.007","87.076","0.006","70.171","0.007","1030","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N2 O13 -","- C18 H22 N2 O13 -","- C36 H44 N4 O26 -","2","1","","Kavuru, Padmini; Aboarayes, Dalia; Arora, Kapildev K.; Clarke, Heather D.; Kennedy, Alyssa; Marshall, Lissette; Ong, Tien Teng; Perman, Jason; Pujari, Twarita; Wojtas, Łukasz; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Hydrogen Bonds Between Carboxylates and Weakly Acidic Hydroxyl Moieties in Cocrystals of Zwitterions","Crystal Growth & Design","2010","10","8","3568","3584","10.1021/cg100484a","","","0.71073","MoKα","","0.0608","0.0452","","","0.1108","0.1193","","","","","","1.01","","","","has coordinates","211085","2020-10-21","18:00:00",""
"4501799","20.7781","0.0004","12.4012","0.0002","13.0557","0.0002","90","","107.333","0.001","90","","3211.34","0.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 N O10 -","- C18 H15 N O10 -","- C144 H120 N8 O80 -","8","1","","Kavuru, Padmini; Aboarayes, Dalia; Arora, Kapildev K.; Clarke, Heather D.; Kennedy, Alyssa; Marshall, Lissette; Ong, Tien Teng; Perman, Jason; Pujari, Twarita; Wojtas, Łukasz; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Hydrogen Bonds Between Carboxylates and Weakly Acidic Hydroxyl Moieties in Cocrystals of Zwitterions","Crystal Growth & Design","2010","10","8","3568","3584","10.1021/cg100484a","","","1.54178","CuKα","","0.0352","0.0313","","","0.0844","0.0871","","","","","","1.03","","","","has coordinates","211085","2020-10-21","18:00:00",""
"4501800","7.6115","0.0002","9.4592","0.0002","11.5037","0.0003","105.294","0.002","109.068","0.002","91.848","0.002","748.69","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 N O10 -","- C17 H13 N O10 -","- C34 H26 N2 O20 -","2","1","","Kavuru, Padmini; Aboarayes, Dalia; Arora, Kapildev K.; Clarke, Heather D.; Kennedy, Alyssa; Marshall, Lissette; Ong, Tien Teng; Perman, Jason; Pujari, Twarita; Wojtas, Łukasz; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Hydrogen Bonds Between Carboxylates and Weakly Acidic Hydroxyl Moieties in Cocrystals of Zwitterions","Crystal Growth & Design","2010","10","8","3568","3584","10.1021/cg100484a","","","1.54178","CuKα","","0.0681","0.0431","","","0.1032","0.1139","","","","","","1.001","","","","has coordinates","211085","2020-10-21","18:00:00",""
"4501801","18.4101","0.0003","7.754","0.0002","28.1511","0.0005","90","","99.01","0.001","90","","3969.04","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 Cl N O6.5 -","- C20 H23 Cl N O6.5 -","- C160 H184 Cl8 N8 O52 -","8","2","","Kavuru, Padmini; Aboarayes, Dalia; Arora, Kapildev K.; Clarke, Heather D.; Kennedy, Alyssa; Marshall, Lissette; Ong, Tien Teng; Perman, Jason; Pujari, Twarita; Wojtas, Łukasz; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Hydrogen Bonds Between Carboxylates and Weakly Acidic Hydroxyl Moieties in Cocrystals of Zwitterions","Crystal Growth & Design","2010","10","8","3568","3584","10.1021/cg100484a","","","1.54178","CuKα","","0.0924","0.0799","","","0.1935","0.2026","","","","","","1.033","","","","has coordinates","211085","2020-10-21","18:00:00",""
"4501802","7.4831","0.0006","14.696","0.001","12.614","0.001","90","","107.096","0.004","90","","1325.89","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N O8 -","- C13 H13 N O8 -","- C52 H52 N4 O32 -","4","1","","Kavuru, Padmini; Aboarayes, Dalia; Arora, Kapildev K.; Clarke, Heather D.; Kennedy, Alyssa; Marshall, Lissette; Ong, Tien Teng; Perman, Jason; Pujari, Twarita; Wojtas, Łukasz; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Hydrogen Bonds Between Carboxylates and Weakly Acidic Hydroxyl Moieties in Cocrystals of Zwitterions","Crystal Growth & Design","2010","10","8","3568","3584","10.1021/cg100484a","","","1.54178","CuKα","","0.0442","0.0417","","","0.1176","0.1199","","","","","","1.043","","","","has coordinates","211085","2020-10-21","18:00:00",""
"4501803","11.742","0.005","11.756","0.005","12.399","0.005","92.628","0.009","115.898","0.008","115.57","0.009","1329.7","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N O8.5 -","- C13 H14 N O8.5 -","- C52 H56 N4 O34 -","4","2","","Kavuru, Padmini; Aboarayes, Dalia; Arora, Kapildev K.; Clarke, Heather D.; Kennedy, Alyssa; Marshall, Lissette; Ong, Tien Teng; Perman, Jason; Pujari, Twarita; Wojtas, Łukasz; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Hydrogen Bonds Between Carboxylates and Weakly Acidic Hydroxyl Moieties in Cocrystals of Zwitterions","Crystal Growth & Design","2010","10","8","3568","3584","10.1021/cg100484a","","","0.71073","MoKα","","0.0938","0.0688","","","0.1766","0.195","","","","","","1.058","","","","has coordinates","211085","2020-10-21","18:00:00",""
"4501804","6.6656","0.0004","11.2474","0.0008","12.374","0.0007","89.139","0.004","85.23","0.004","87.099","0.004","923.23","0.1","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H19 N O8 -","- C22 H19 N O8 -","- C44 H38 N2 O16 -","2","2","","Kavuru, Padmini; Aboarayes, Dalia; Arora, Kapildev K.; Clarke, Heather D.; Kennedy, Alyssa; Marshall, Lissette; Ong, Tien Teng; Perman, Jason; Pujari, Twarita; Wojtas, Łukasz; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Hydrogen Bonds Between Carboxylates and Weakly Acidic Hydroxyl Moieties in Cocrystals of Zwitterions","Crystal Growth & Design","2010","10","8","3568","3584","10.1021/cg100484a","","","1.54178","CuKα","","0.0889","0.0559","","","0.138","0.158","","","","","","1.017","","","","has coordinates","211085","2020-10-21","18:00:00",""
"4501805","6.434","0.003","12.378","0.005","23.51","0.009","90","","90","","90","","1872.3","1.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N O8 -","- C22 H19 N O8 -","- C88 H76 N4 O32 -","4","1","","Kavuru, Padmini; Aboarayes, Dalia; Arora, Kapildev K.; Clarke, Heather D.; Kennedy, Alyssa; Marshall, Lissette; Ong, Tien Teng; Perman, Jason; Pujari, Twarita; Wojtas, Łukasz; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Hydrogen Bonds Between Carboxylates and Weakly Acidic Hydroxyl Moieties in Cocrystals of Zwitterions","Crystal Growth & Design","2010","10","8","3568","3584","10.1021/cg100484a","","","0.71073","MoKα","","0.0584","0.0452","","","0.0973","0.103","","","","","","1.063","","","","has coordinates","211085","2020-10-21","18:00:00",""
"4501806","13.4707","0.0005","6.971","0.0002","14.6869","0.0005","90","","95.775","0.002","90","","1372.16","0.08","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N O7 -","- C13 H13 N O7 -","- C52 H52 N4 O28 -","4","1","","Kavuru, Padmini; Aboarayes, Dalia; Arora, Kapildev K.; Clarke, Heather D.; Kennedy, Alyssa; Marshall, Lissette; Ong, Tien Teng; Perman, Jason; Pujari, Twarita; Wojtas, Łukasz; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Hydrogen Bonds Between Carboxylates and Weakly Acidic Hydroxyl Moieties in Cocrystals of Zwitterions","Crystal Growth & Design","2010","10","8","3568","3584","10.1021/cg100484a","","","1.54178","CuKα","","0.0574","0.038","","","0.0905","0.1025","","","","","","1.043","","","","has coordinates","211085","2020-10-21","18:00:00",""
"4501807","34.7256","0.0004","7.4396","0.0001","14.3727","0.0002","90","","90.058","0.001","90","","3713.11","0.08","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H17 N O10 -","- C21 H17 N O10 -","- C168 H136 N8 O80 -","8","1","","Kavuru, Padmini; Aboarayes, Dalia; Arora, Kapildev K.; Clarke, Heather D.; Kennedy, Alyssa; Marshall, Lissette; Ong, Tien Teng; Perman, Jason; Pujari, Twarita; Wojtas, Łukasz; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Hydrogen Bonds Between Carboxylates and Weakly Acidic Hydroxyl Moieties in Cocrystals of Zwitterions","Crystal Growth & Design","2010","10","8","3568","3584","10.1021/cg100484a","","","1.54178","CuKα","","0.0443","0.0345","","","0.084","0.0884","","","","","","1.069","","","","has coordinates","211085","2020-10-21","18:00:00",""
"4501808","9.8349","0.0001","9.8349","0.0001","9.8349","0.0001","90","","90","","90","","951.283","0.017","296","2","296","2","","","","","","","","2","I a -3","-I 2b 2c 3","206","","","","- O3 Sc2 -","- O3 Sc2 -","- O48 Sc32 -","16","0.333333","","Cong, Hengjiang; Zhang, Huaijin; Yao, Bin; Yu, Wentao; Zhao, Xian; Wang, Jiyang; Zhang, Guangcai","ScVO4: Explorations of Novel Crystalline Inorganic Optical Materials in Rare-Earth Orthovanadate Systems","Crystal Growth & Design","2010","10","10","4389","","10.1021/cg1004962","","","0.71073","MoKα","","0.0153","0.0146","","","0.0395","0.0436","","","","","","1.359","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501809","6.7885","0.0003","6.7885","0.0003","6.1392","0.0006","90","","90","","90","","282.92","0.03","296","2","296","2","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- O4 Sc V -","- O4 Sc V -","- O16 Sc4 V4 -","4","0.125","","Cong, Hengjiang; Zhang, Huaijin; Yao, Bin; Yu, Wentao; Zhao, Xian; Wang, Jiyang; Zhang, Guangcai","ScVO4: Explorations of Novel Crystalline Inorganic Optical Materials in Rare-Earth Orthovanadate Systems","Crystal Growth & Design","2010","10","10","4389","","10.1021/cg1004962","","","0.71073","MoKα","","0.021","0.0209","","","0.0586","0.0587","","","","","","1.12","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501810","7.7897","0.0003","7.7897","0.0003","14.6052","0.0009","90","","90","","90","","886.24","0.07","296","2","296","2","","","","","","","","3","I -4","I -4","82","","","","- O5 Sc2 V -","- O5 Sc2 V -","- O50 Sc20 V10 -","10","1.25","","Cong, Hengjiang; Zhang, Huaijin; Yao, Bin; Yu, Wentao; Zhao, Xian; Wang, Jiyang; Zhang, Guangcai","ScVO4: Explorations of Novel Crystalline Inorganic Optical Materials in Rare-Earth Orthovanadate Systems","Crystal Growth & Design","2010","10","10","4389","","10.1021/cg1004962","","","0.71073","MoKα","","0.0243","0.0241","","","0.0585","0.0586","","","","","","0.874","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501811","9.9108","0.0004","11.0466","0.0005","9.9752","0.0004","90","","117.339","0.002","90","","970.11","0.07","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H23 Eu O19 -","- C12 H23 Eu O19 -","- C24 H46 Eu2 O38 -","2","1","","Thuéry, Pierre; Masci, Bernardo","Two- and Three-Dimensional Europium−Organic Assemblies with theall-cisandall-transIsomers of 1,2,3,4,5,6-Cyclohexanehexacarboxylic Acid","Crystal Growth & Design","2010","10","8","3626","","10.1021/cg100500p","","","0.71073","MoKα","","0.0231","0.0228","","","0.0584","0.0587","","","","","","1.05","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501812","10.9611","0.0004","17.2383","0.001","11.5873","0.0006","90","","99.167","0.003","90","","2161.47","0.19","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H29 Eu O22 -","- C12 H29 Eu O22 -","- C48 H116 Eu4 O88 -","4","1","","Thuéry, Pierre; Masci, Bernardo","Two- and Three-Dimensional Europium−Organic Assemblies with theall-cisandall-transIsomers of 1,2,3,4,5,6-Cyclohexanehexacarboxylic Acid","Crystal Growth & Design","2010","10","8","3626","","10.1021/cg100500p","","","0.71073","MoKα","","0.031","0.0257","","","0.0634","0.065","","","","","","1.057","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501813","9.1908","0.0011","15.82","0.002","8.8764","0.0007","90","","90","","90","","1290.6","0.2","150","2","150","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C12 H30 Eu2 O24 -","- C12 H22 Eu2 O24 -","- C24 H44 Eu4 O48 -","2","0.25","","Thuéry, Pierre; Masci, Bernardo","Two- and Three-Dimensional Europium−Organic Assemblies with theall-cisandall-transIsomers of 1,2,3,4,5,6-Cyclohexanehexacarboxylic Acid","Crystal Growth & Design","2010","10","8","3626","","10.1021/cg100500p","","","0.71073","MoKα","","0.062","0.0518","","","0.1072","0.1105","","","","","","1.262","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501814","6.938","0.003","11.997","0.005","15.107","0.006","112.838","0.005","92.889","0.006","95.816","0.006","1147.4","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 N3 O7 S2 -","- C25 H21 N3 O7 S2 -","- C50 H42 N6 O14 S4 -","2","1","","Cheney, Miranda L.; Weyna, David R.; Shan, Ning; Hanna, Mazen; Wojtas, Lukasz; Zaworotko, Michael J.","Supramolecular Architectures of Meloxicam Carboxylic Acid Cocrystals, a Crystal Engineering Case Study","Crystal Growth & Design","2010","10","10","4401","","10.1021/cg100514g","","","0.71073","MoKα","","0.069","0.0511","","","0.12","0.1309","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501815","7.181","0.002","8.439","0.003","18.364","0.006","80.737","0.004","85.464","0.004","70.865","0.004","1037.3","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H21 N3 O8 S2 -","- C19 H21 N3 O8 S2 -","- C38 H42 N6 O16 S4 -","2","1","","Cheney, Miranda L.; Weyna, David R.; Shan, Ning; Hanna, Mazen; Wojtas, Lukasz; Zaworotko, Michael J.","Supramolecular Architectures of Meloxicam Carboxylic Acid Cocrystals, a Crystal Engineering Case Study","Crystal Growth & Design","2010","10","10","4401","","10.1021/cg100514g","","","0.71073","MoKα","","0.0377","0.0338","","","0.0894","0.0924","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501816","7.278","0.002","8.55","0.002","15.15","0.004","84.115","0.003","81.617","0.004","70.489","0.003","877.6","0.4","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C32 H32 N6 O13 S4 -","- C32 H32 N6 O13 S4 -","- C32 H32 N6 O13 S4 -","1","1","","Cheney, Miranda L.; Weyna, David R.; Shan, Ning; Hanna, Mazen; Wojtas, Lukasz; Zaworotko, Michael J.","Supramolecular Architectures of Meloxicam Carboxylic Acid Cocrystals, a Crystal Engineering Case Study","Crystal Growth & Design","2010","10","10","4401","","10.1021/cg100514g","","","0.71073","MoKα","","0.1145","0.0663","","","0.1138","0.1309","","","","","","0.986","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501817","11.0844","0.0005","11.8433","0.0005","16.4532","0.0007","90","","97.386","0.003","90","","2141.99","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N3 O7 S2 -","- C21 H19 N3 O7 S2 -","- C84 H76 N12 O28 S8 -","4","1","","Cheney, Miranda L.; Weyna, David R.; Shan, Ning; Hanna, Mazen; Wojtas, Lukasz; Zaworotko, Michael J.","Supramolecular Architectures of Meloxicam Carboxylic Acid Cocrystals, a Crystal Engineering Case Study","Crystal Growth & Design","2010","10","10","4401","","10.1021/cg100514g","","","1.54178","CuKα","","0.0632","0.0433","","","0.1103","0.1219","","","","","","1.01","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501818","7.145","0.005","8.475","0.005","15.088","0.009","82.25","0.009","81.368","0.009","70.519","0.009","848","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 N6 O12 S4 -","- C32 H30 N6 O12 S4 -","- C32 H30 N6 O12 S4 -","1","0.5","","Cheney, Miranda L.; Weyna, David R.; Shan, Ning; Hanna, Mazen; Wojtas, Lukasz; Zaworotko, Michael J.","Supramolecular Architectures of Meloxicam Carboxylic Acid Cocrystals, a Crystal Engineering Case Study","Crystal Growth & Design","2010","10","10","4401","","10.1021/cg100514g","","","0.71073","MoKα","","0.0631","0.0451","","","0.1067","0.1162","","","","","","0.995","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501819","7.2315","0.0004","8.4994","0.0005","14.9383","0.0008","82.741","0.004","80.061","0.003","70.313","0.004","849.21","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 N6 O12 S4 -","- C32 H32 N6 O12 S4 -","- C32 H32 N6 O12 S4 -","1","0.5","","Cheney, Miranda L.; Weyna, David R.; Shan, Ning; Hanna, Mazen; Wojtas, Lukasz; Zaworotko, Michael J.","Supramolecular Architectures of Meloxicam Carboxylic Acid Cocrystals, a Crystal Engineering Case Study","Crystal Growth & Design","2010","10","10","4401","","10.1021/cg100514g","","","1.54178","CuKα","","0.0714","0.0463","","","0.0845","0.0899","","","","","","0.995","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501820","18.9697","0.0004","26.6758","0.0009","10.5487","0.0003","90","","103.455","0.002","90","","5191.5","0.3","173","2","173","2","","","","","","","synthesis as described","6","C 1 c 1","C -2yc","9","","","","- C46 H67 F4 I2 N9 O4 -","- C46 H67 F4 I2 N9 O4 -","- C184 H268 F16 I8 N36 O16 -","4","1","","Raatikainen, Kari; Rissanen, Kari","Modulation of N···I and+N−H···Cl−···I Halogen Bonding: Folding, Inclusion, and Self-Assembly of Tri- and Tetraamino Piperazine Cyclophanes","Crystal Growth & Design","2010","10","8","3638","","10.1021/cg100516t","","x-ray","0.71073","MoKα","","0.0281","0.026","","","0.0496","0.0506","","","","","","1.093","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501821","15.0024","0.0002","28.0603","0.0004","23.8472","0.0003","90","","91.924","0.0007","90","","10033.3","0.2","123","2","123","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C78 H72 Cl3 F24 I12 N9 O3 -","- C78 H72 Cl3 F24 I12 N9 O3 -","- C312 H288 Cl12 F96 I48 N36 O12 -","4","1","","Raatikainen, Kari; Rissanen, Kari","Modulation of N···I and+N−H···Cl−···I Halogen Bonding: Folding, Inclusion, and Self-Assembly of Tri- and Tetraamino Piperazine Cyclophanes","Crystal Growth & Design","2010","10","8","3638","","10.1021/cg100516t","","x-ray","0.71073","MoKα","","0.0864","0.0589","","","0.1442","0.163","","","","","","1.031","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501822","13.7978","0.0002","40.2212","0.0006","20.7248","0.0004","90","","94.356","0.001","90","","11468.3","0.3","123","2","123","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C105 H142 Cl6 F4 I2 N24 O -","- C105 H142 Cl6 F4 I2 N24 O -","- C420 H568 Cl24 F16 I8 N96 O4 -","4","1","","Raatikainen, Kari; Rissanen, Kari","Modulation of N···I and+N−H···Cl−···I Halogen Bonding: Folding, Inclusion, and Self-Assembly of Tri- and Tetraamino Piperazine Cyclophanes","Crystal Growth & Design","2010","10","8","3638","","10.1021/cg100516t","","x-ray","0.71073","MoKα","","0.1305","0.0905","","","0.1936","0.2257","","","","","","1.124","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501823","36.267","0.0004","36.267","0.0004","15.7233","0.0002","90","","90","","90","","20680.8","0.4","123","2","123","2","","","","","","","synthesis as described","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C51 H75 N13 O -","- C51 H75 N13 O -","- C816 H1200 N208 O16 -","16","0.5","","Raatikainen, Kari; Rissanen, Kari","Modulation of N···I and+N−H···Cl−···I Halogen Bonding: Folding, Inclusion, and Self-Assembly of Tri- and Tetraamino Piperazine Cyclophanes","Crystal Growth & Design","2010","10","8","3638","","10.1021/cg100516t","","x-ray","0.71073","MoKα","","0.1031","0.0633","","","0.1401","0.1659","","","","","","1.058","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501824","8.8485","0.0002","22.9558","0.0005","21.9893","0.0004","90","","92.028","0.001","90","","4463.77","0.16","123","2","123","2","","","","","","","synthesis as described","7","P 1 21/m 1","-P 2yb","11","","","","- C66 H104 Cl6 F8 I4 N12 O9 -","- C66 H105 Cl6 F8 I4 N12 O9 -","- C132 H210 Cl12 F16 I8 N24 O18 -","2","0.5","","Raatikainen, Kari; Rissanen, Kari","Modulation of N···I and+N−H···Cl−···I Halogen Bonding: Folding, Inclusion, and Self-Assembly of Tri- and Tetraamino Piperazine Cyclophanes","Crystal Growth & Design","2010","10","8","3638","","10.1021/cg100516t","","x-ray","0.71073","MoKα","","0.0595","0.0438","","","0.1123","0.1258","","","","","","1.056","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501825","6.9297","0.0008","7.1741","0.0008","18.621","0.002","85.995","0.002","83.245","0.002","65.812","0.002","838.36","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Piperazinediium bis(mefenamate) tetrahydrate","Piperazinediium bis{2-[(2,3-dimethylphenyl)amino]benzoate} tetrahydrate","","- C34 H48 N4 O8 -","- C34 H48 N4 O8 -","- C34 H48 N4 O8 -","1","0.5","","Fonari, Marina S.; Ganin, Eduard V.; Vologzhanina, Anna V.; Antipin, Mikhail Yu.; Kravtsov, Victor Ch.","Persistent CH···π Interactions in Mefenamic Acid Complexes with Cyclic and Acyclic Amines","Crystal Growth & Design","2010","10","8","3647","","10.1021/cg100518b","","","0.71073","MoKα","","0.0506","0.0408","","","0.1106","0.1171","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4501826","32.809","0.004","7.6594","0.001","29.684","0.004","90","","104.457","0.002","90","","7223.3","1.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4,10-diaza-1,7-diazoniacyclododecane bis(mefenamate) dihydrate","4,10-diaza-1,7-diazoniacyclododecane bis{2-[(2,3-dimethylphenyl)amino]benzoate} dihydrate","","- C38 H54 N6 O6 -","- C38 H54 N6 O6 -","- C304 H432 N48 O48 -","8","1","","Fonari, Marina S.; Ganin, Eduard V.; Vologzhanina, Anna V.; Antipin, Mikhail Yu.; Kravtsov, Victor Ch.","Persistent CH···π Interactions in Mefenamic Acid Complexes with Cyclic and Acyclic Amines","Crystal Growth & Design","2010","10","8","3647","","10.1021/cg100518b","","","0.71073","MoKα","","0.0829","0.0545","","","0.1236","0.1354","","","","","","1.008","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501827","8.5654","0.0014","8.7181","0.0014","16.02","0.003","102.383","0.003","91.415","0.003","112.494","0.003","1072","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","(5R,12S)-5,7,7,12,14,14-hexamethyl-4,11-diaza- 1,8-diazoniacyclotetradecane bis(mefenamate) dihydrate","(5R,12S)-5,7,7,12,14,14-hexamethyl-4,11-diaza- 1,8-diazoniacyclotetradecane bis{2-[(2,3-dimethylphenyl) amino]benzoate} dihydrate","","- C46 H70 N6 O6 -","- C46 H70 N6 O6 -","- C46 H70 N6 O6 -","1","0.5","","Fonari, Marina S.; Ganin, Eduard V.; Vologzhanina, Anna V.; Antipin, Mikhail Yu.; Kravtsov, Victor Ch.","Persistent CH···π Interactions in Mefenamic Acid Complexes with Cyclic and Acyclic Amines","Crystal Growth & Design","2010","10","8","3647","","10.1021/cg100518b","","","0.71073","MoKα","","0.0684","0.0472","","","0.1135","0.1224","","","","","","0.999","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501828","7.7773","0.0016","8.407","0.0017","15.127","0.003","90.642","0.004","97.981","0.005","97.97","0.004","969.6","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","1,3-dihydroxy-2-(hydroxymethyl)propan-2-aminium mefenamate hydrate","1,3-dihydroxy-2-(hydroxymethyl)propan-2-aminium 2-[(2,3-dimethylphenyl)amino]benzoate hydrate","","- C19 H28 N2 O6 -","- C19 H28 N2 O6 -","- C38 H56 N4 O12 -","2","1","","Fonari, Marina S.; Ganin, Eduard V.; Vologzhanina, Anna V.; Antipin, Mikhail Yu.; Kravtsov, Victor Ch.","Persistent CH···π Interactions in Mefenamic Acid Complexes with Cyclic and Acyclic Amines","Crystal Growth & Design","2010","10","8","3647","","10.1021/cg100518b","","","0.71073","MoKα","","0.0552","0.0361","","","0.0705","0.0719","","","","","","0.963","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501829","7.2946","0.0008","11.0874","0.0013","11.3981","0.0013","105.55","0.001","90.819","0.001","101.825","0.001","866.92","0.17","123","2","123","2","","","","","","","","6","P -1","-P 1","2","thiamine hydrochloride monomethanolate","","","- C13 H22 Cl2 N4 O2 S -","- C13 H22 Cl2 N4 O2 S -","- C26 H44 Cl4 N8 O4 S2 -","2","1","","Chakravarty, Paroma; Suryanarayanan, Raj","Characterization and Structure Analysis of Thiamine Hydrochloride Methanol Solvate","Crystal Growth & Design","2010","10","10","4414","","10.1021/cg100522f","","","0.71073","MoKα","","0.0327","0.028","","","0.0715","0.0744","","","","","","1.056","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501830","10.657","0.007","14.592","0.008","17.533","0.009","90","","110.79","0.03","90","","2549","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H144 Cl4 N4 O44 -","- C80 H144 Cl4 N4 O44 -","- C80 H144 Cl4 N4 O44 -","1","0.25","","Ge, Jia-Zhen; Fu, Xue-Qun; Hang, Tian; Ye, Qiong; Xiong, Ren-Gen","Reversible Phase Transition of the 1:1 Complexes of 18-Crown-6 with 4-Ethoxyanilinium Perchlorate","Crystal Growth & Design","2010","10","8","3632","","10.1021/cg100523b","","","0.71073","MoKα","","0.1576","0.1292","","","0.3068","0.3283","","","","","","1.045","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501831","21.183","0.009","14.357","0.006","17.091","0.008","90","","110.073","0.007","90","","4882","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2.54 H4.57 Cl0.13 N0.13 O1.4 -","- C2.53968 H4.57143 Cl0.126984 N0.126984 O1.39683 -","- C160 H288 Cl8 N8 O88 -","63","15.75","","Ge, Jia-Zhen; Fu, Xue-Qun; Hang, Tian; Ye, Qiong; Xiong, Ren-Gen","Reversible Phase Transition of the 1:1 Complexes of 18-Crown-6 with 4-Ethoxyanilinium Perchlorate","Crystal Growth & Design","2010","10","8","3632","","10.1021/cg100523b","","","0.71073","MoKα","","0.0926","0.0774","","","0.1573","0.1656","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501832","8.1449","0.0008","11.5943","0.0011","17.4855","0.0016","90","","90","","90","","1651.2","0.3","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C21 H12 N4 -","- C21 H12 N4 -","- C84 H48 N16 -","4","0.5","","Ni, Jia; Wei, Kai-Ju; Liu, Yangzhong; Huang, Xiao-Chun; Li, Dan","Silver Coordination Polymers Based on Neutral Trinitrile Ligand: Topology and the Role of Anion","Crystal Growth & Design","2010","10","9","3964","","10.1021/cg1005242","","","0.71073","MoKα","","0.0853","0.059","","","0.125","0.1394","","","","","","1.1","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501833","12.7209","0.0013","15.4365","0.0015","27.097","0.003","90","","99.045","0.002","90","","5254.8","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H18 Ag Cl N4 O4 -","- C27 H18 Ag Cl N4 O4 -","- C216 H144 Ag8 Cl8 N32 O32 -","8","1","","Ni, Jia; Wei, Kai-Ju; Liu, Yangzhong; Huang, Xiao-Chun; Li, Dan","Silver Coordination Polymers Based on Neutral Trinitrile Ligand: Topology and the Role of Anion","Crystal Growth & Design","2010","10","9","3964","","10.1021/cg1005242","","","0.71073","MoKα","","0.0694","0.0577","","","0.1504","0.1635","","","","","","1.074","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501834","10.6963","0.0007","11.5687","0.0007","13.6314","0.0009","74.447","0.001","77.428","0.001","87.181","0.001","1585.98","0.18","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H24 Ag F3 N4 O3 S -","- C34 H24 Ag F3 N4 O3 S -","- C68 H48 Ag2 F6 N8 O6 S2 -","2","1","","Ni, Jia; Wei, Kai-Ju; Liu, Yangzhong; Huang, Xiao-Chun; Li, Dan","Silver Coordination Polymers Based on Neutral Trinitrile Ligand: Topology and the Role of Anion","Crystal Growth & Design","2010","10","9","3964","","10.1021/cg1005242","","","0.71073","MoKα","","0.0764","0.0633","","","0.1686","0.1819","","","","","","1.073","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501835","11.5437","0.0008","12.2903","0.0009","13.5429","0.001","76.751","0.001","72.615","0.001","79.09","0.001","1769.7","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H14 Ag3 Cl2 F9 N4 O6 -","- C28 H14 Ag3 Cl2 F9 N4 O6 -","- C56 H28 Ag6 Cl4 F18 N8 O12 -","2","1","","Ni, Jia; Wei, Kai-Ju; Liu, Yangzhong; Huang, Xiao-Chun; Li, Dan","Silver Coordination Polymers Based on Neutral Trinitrile Ligand: Topology and the Role of Anion","Crystal Growth & Design","2010","10","9","3964","","10.1021/cg1005242","","","0.71073","MoKα","","0.0657","0.0512","","","0.1205","0.1377","","","","","","1.055","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501836","9.549","0.004","26.717","0.01","12.141","0.005","90","","90","","90","","3097","2","293","2","293","2","","","","","","","","7","P n c 2","P 2 -2bc","30","","","","- C30 H22 Ag B F4 N4 O0.5 -","- C30 H22 Ag B F4 N4 O0.5 -","- C120 H88 Ag4 B4 F16 N16 O2 -","4","1","","Ni, Jia; Wei, Kai-Ju; Liu, Yangzhong; Huang, Xiao-Chun; Li, Dan","Silver Coordination Polymers Based on Neutral Trinitrile Ligand: Topology and the Role of Anion","Crystal Growth & Design","2010","10","9","3964","","10.1021/cg1005242","","","0.71073","MoKα","","0.1013","0.0738","","","0.1808","0.1964","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501837","9.8704","0.0006","26.39","0.0016","12.1381","0.0007","90","","90","","90","","3161.7","0.3","293","2","293","2","","","","","","","","6","P n c 2","P 2 -2bc","30","","","","- C28 H23 Ag Cl N4 O5.5 -","- C28 H22 Ag Cl N4 O5 -","- C112 H88 Ag4 Cl4 N16 O20 -","4","1","","Ni, Jia; Wei, Kai-Ju; Liu, Yangzhong; Huang, Xiao-Chun; Li, Dan","Silver Coordination Polymers Based on Neutral Trinitrile Ligand: Topology and the Role of Anion","Crystal Growth & Design","2010","10","9","3964","","10.1021/cg1005242","","","0.71073","MoKα","","0.0856","0.0736","","","0.1933","0.2023","","","","","","1.029","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501838","10.0613","0.0008","26.359","0.002","11.993","0.0009","90","","90","","90","","3180.6","0.4","293","2","293","2","","","","","","","","7","P n c 2","P 2 -2bc","30","","","","- C31 H22 Ag F3 N4 O3.5 S -","- C31 H22 Ag F3 N4 O3.5 S -","- C124 H88 Ag4 F12 N16 O14 S4 -","4","1","","Ni, Jia; Wei, Kai-Ju; Liu, Yangzhong; Huang, Xiao-Chun; Li, Dan","Silver Coordination Polymers Based on Neutral Trinitrile Ligand: Topology and the Role of Anion","Crystal Growth & Design","2010","10","9","3964","","10.1021/cg1005242","","","0.71073","MoKα","","0.0594","0.0485","","","0.1052","0.1104","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501839","10.523","0.0005","11.5968","0.0006","50.242","0.003","90","","95.697","0.001","90","","6100.9","0.6","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C56 H32 Ag4 Cl2 F12 N8 O9 S -","- C56 H32 Ag4 Cl2 F12 N8 O9 S -","- C224 H128 Ag16 Cl8 F48 N32 O36 S4 -","4","1","","Ni, Jia; Wei, Kai-Ju; Liu, Yangzhong; Huang, Xiao-Chun; Li, Dan","Silver Coordination Polymers Based on Neutral Trinitrile Ligand: Topology and the Role of Anion","Crystal Growth & Design","2010","10","9","3964","","10.1021/cg1005242","","","0.71073","MoKα","","0.1287","0.0959","","","0.2457","0.2697","","","","","","1.057","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501840","9.841","0.002","10.507","0.0012","10.7063","0.0017","60.675","0.001","65.591","0.002","77.719","0.002","878.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 Cd N4 O5 -","- C18 H13 Cd N4 O5 -","- C36 H26 Cd2 N8 O10 -","2","1","","Su, Zhi; Chen, Shui-Sheng; Fan, Jian; Chen, Man-Sheng; Zhao, Yue; Sun, Wei-Yin","Highly Connected Three-Dimensional Metal−Organic Frameworks Based on Polynuclear Secondary Building Units","Crystal Growth & Design","2010","10","8","3675","","10.1021/cg100535q","","","0.71073","MoKα","","0.0373","0.0324","","","0.0933","0.1122","","","","","","1.181","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501841","10.7012","0.0007","11.0545","0.0013","11.1571","0.0007","104.425","0.001","116.124","0.002","97.3723","0.001","1103.83","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 Cd2 N4 O7 -","- C23 H18 Cd2 N4 O7 -","- C46 H36 Cd4 N8 O14 -","2","1","","Su, Zhi; Chen, Shui-Sheng; Fan, Jian; Chen, Man-Sheng; Zhao, Yue; Sun, Wei-Yin","Highly Connected Three-Dimensional Metal−Organic Frameworks Based on Polynuclear Secondary Building Units","Crystal Growth & Design","2010","10","8","3675","","10.1021/cg100535q","","","0.71073","MoKα","","0.0364","0.0264","","","0.0547","0.0578","","","","","","0.926","","","","has coordinates,has disorder","179549","2020-10-21","18:00:00",""
"4501842","10.936","0.006","11.496","0.007","17.654","0.01","84.706","0.007","74.308","0.002","69.543","0.007","2002","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H33 Cd3 N8 O12 -","- C41 H31 Cd3 N8 O12 -","- C82 H62 Cd6 N16 O24 -","2","1","","Su, Zhi; Chen, Shui-Sheng; Fan, Jian; Chen, Man-Sheng; Zhao, Yue; Sun, Wei-Yin","Highly Connected Three-Dimensional Metal−Organic Frameworks Based on Polynuclear Secondary Building Units","Crystal Growth & Design","2010","10","8","3675","","10.1021/cg100535q","","","0.71073","MoKα","","0.0358","0.0318","","","0.0862","0.0953","","","","","","1.057","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501843","12.0613","0.0014","17.8712","0.0016","16.316","0.0012","90","","91.555","0.002","90","","3515.6","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 Mn2 N8 O9 -","- C36 H28 Mn2 N8 O9 -","- C144 H112 Mn8 N32 O36 -","4","0.5","","Su, Zhi; Chen, Shui-Sheng; Fan, Jian; Chen, Man-Sheng; Zhao, Yue; Sun, Wei-Yin","Highly Connected Three-Dimensional Metal−Organic Frameworks Based on Polynuclear Secondary Building Units","Crystal Growth & Design","2010","10","8","3675","","10.1021/cg100535q","","","0.71073","MoKα","","0.04","0.0367","","","0.1072","0.1109","","","","","","0.764","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501844","8.6762","0.0005","9.0956","0.0005","28.025","0.003","90","","90","","90","","2211.6","0.3","296","2","296","2","","","","","","","","5","P 21 n b","P -2bc 2a","33","trans-bis(6-hydroxypicolinato-N,O)bis(pyridine)nickel(II)","trans-bis(6-hydroxypyridine-2-carboxylato-N,O)bis(pyridine) nickel(II)- orthorhombic polymorph","","- C22 H18 N4 Ni O6 -","- C22 H18 N4 Ni O6 -","- C88 H72 N16 Ni4 O24 -","4","1","","Kukovec, Boris-Marko; Vaz, Pedro D.; Calhorda, Maria José; Popović, Zora","Disappearing and Concomitant Polymorphism of Nickel(II) Complexes with 6-Hydroxypicolinic Acid. Structural and Density Functional Theory Studies","Crystal Growth & Design","2010","10","8","3685","","10.1021/cg100536m","","","1.54184","CuKα","","0.2327","0.0746","","","0.1337","0.1716","","","","","","1.108","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501845","8.3358","0.0003","27.5392","0.0007","9.4855","0.0003","90","","96.991","0.003","90","","2161.31","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","trans-bis(6-hydroxypicolinato-N,O)bis(pyridine)nickel(II)","trans-bis(6-hydroxypyridine-2-carboxylato-N,O)bis(pyridine) nickel(II)- monoclinic polymorph","","- C22 H18 N4 Ni O6 -","- C22 H18 N4 Ni O6 -","- C88 H72 N16 Ni4 O24 -","4","1","","Kukovec, Boris-Marko; Vaz, Pedro D.; Calhorda, Maria José; Popović, Zora","Disappearing and Concomitant Polymorphism of Nickel(II) Complexes with 6-Hydroxypicolinic Acid. Structural and Density Functional Theory Studies","Crystal Growth & Design","2010","10","8","3685","","10.1021/cg100536m","","","0.71073","MoKα","","0.0908","0.0398","","","0.0831","0.0994","","","","","","0.898","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501846","10.9683","0.0006","13.2557","0.0006","17.9843","0.0008","90","","105.81","0.005","90","","2515.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","trans-bis(6-hydroxypicolinato-N,O)bis(pyridine)nickel(II) pyridine solvate","trans-bis(6-hydroxypyridine-2-carboxylato-N,O)bis(pyridine) nickel(II) pyridine solvate","","- C27 H23 N5 Ni O6 -","- C27 H23 N5 Ni O6 -","- C108 H92 N20 Ni4 O24 -","4","1","","Kukovec, Boris-Marko; Vaz, Pedro D.; Calhorda, Maria José; Popović, Zora","Disappearing and Concomitant Polymorphism of Nickel(II) Complexes with 6-Hydroxypicolinic Acid. Structural and Density Functional Theory Studies","Crystal Growth & Design","2010","10","8","3685","","10.1021/cg100536m","","","0.71073","MoKα","","0.1484","0.0509","","","0.0868","0.1095","","","","","","0.869","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501847","7.413","0.0005","16.3619","0.0011","9.4069","0.0006","90","","105.848","0.001","90","","1097.6","0.13","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 F2 I N2 -","- C10 H10 F2 I N2 -","- C40 H40 F8 I4 N8 -","4","1","","Roper, Laila C.; Präsang, Carsten; Kozhevnikov, Valery N.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Experimental and Theoretical Study of Halogen-Bonded Complexes of DMAP with Di- and Triiodofluorobenzenes. A Complex with a Very Short N···I Halogen Bond","Crystal Growth & Design","2010","10","8","3710","","10.1021/cg100549u","","","0.71073","MoKα","","0.0233","0.0212","","","0.0505","0.0513","","","","","","1.121","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501848","7.4923","0.0004","12.8759","0.0006","24.4169","0.0012","82.477","0.001","89.257","0.001","73.601","0.001","2239.51","0.19","383","2","383","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 F4 I2 N4 -","- C20 H20 F4 I2 N4 -","- C80 H80 F16 I8 N16 -","4","2","","Roper, Laila C.; Präsang, Carsten; Kozhevnikov, Valery N.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Experimental and Theoretical Study of Halogen-Bonded Complexes of DMAP with Di- and Triiodofluorobenzenes. A Complex with a Very Short N···I Halogen Bond","Crystal Growth & Design","2010","10","8","3710","","10.1021/cg100549u","","","0.71073","MoKα","","0.0508","0.0375","","","0.0943","0.0986","","","","","","1.124","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501849","7.8159","0.0005","8.644","0.0006","16.6891","0.0011","82.259","0.001","83.263","0.001","85.42","0.001","1107.18","0.13","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 F3 I2 N4 -","- C20 H21 F3 I2 N4 -","- C40 H42 F6 I4 N8 -","2","1","","Roper, Laila C.; Präsang, Carsten; Kozhevnikov, Valery N.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Experimental and Theoretical Study of Halogen-Bonded Complexes of DMAP with Di- and Triiodofluorobenzenes. A Complex with a Very Short N···I Halogen Bond","Crystal Growth & Design","2010","10","8","3710","","10.1021/cg100549u","","","0.71073","MoKα","","0.0372","0.0251","","","0.0541","0.0583","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501850","7.2752","0.0004","25.5175","0.0012","8.6962","0.0004","90","","102.921","0.001","90","","1573.53","0.14","210","2","210","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C27 H30 F3 I3 N6 -","- C27 H30 F3 I3 N6 -","- C54 H60 F6 I6 N12 -","2","0.5","","Roper, Laila C.; Präsang, Carsten; Kozhevnikov, Valery N.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Experimental and Theoretical Study of Halogen-Bonded Complexes of DMAP with Di- and Triiodofluorobenzenes. A Complex with a Very Short N···I Halogen Bond","Crystal Growth & Design","2010","10","8","3710","","10.1021/cg100549u","","","0.71073","MoKα","","0.0321","0.0231","","","0.0521","0.0557","","","","","","1.058","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501851","5.9294","0.0011","14.003","0.003","15.716","0.003","78.939","0.004","89.831","0.004","85.419","0.004","1276.5","0.4","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H28 F4 I N O3 -","- C27 H28 F4 I N O3 -","- C54 H56 F8 I2 N2 O6 -","2","1","","Roper, Laila C.; Präsang, Carsten; Kozhevnikov, Valery N.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Experimental and Theoretical Study of Halogen-Bonded Complexes of DMAP with Di- and Triiodofluorobenzenes. A Complex with a Very Short N···I Halogen Bond","Crystal Growth & Design","2010","10","8","3710","","10.1021/cg100549u","","","0.71073","MoKα","","0.0554","0.0421","","","0.0957","0.1007","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501852","3.7678","0.0004","3.7678","0.0004","6.3151","0.0008","90","","90","","90","","89.651","0.018","100","2","100","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- As Fe Li -","- As Fe Li -","- As2 Fe2 Li2 -","2","0.125","","Morozov, Igor; Boltalin, Alexander; Volkova, Olga; Vasiliev, Alexander; Kataeva, Olga; Stockert, Ulrike; Abdel-Hafiez, Mahmoud; Bombor, Dirk; Bachmann, Anne; Harnagea, Luminita; Fuchs, Madeleine; Grafe, Hans-Joachim; Behr, Günter; Klingeler, Rüdiger; Borisenko, Sergey; Hess, Christian; Wurmehl, Sabine; Büchner, Bernd","Single Crystal Growth and Characterization of Superconducting LiFeAs","Crystal Growth & Design","2010","10","10","4428","","10.1021/cg1005538","","","0.71073","MoKα","","0.0201","0.0173","","","0.0472","0.0486","","","","","","1.2","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501853","9.4815","0.0019","8.6468","0.0018","12.217","0.003","90","","110.667","0.003","90","","937.2","0.4","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C14 H20 Ag2 N6 O5 -","- C14 H20 Ag2 N6 O5 -","- C28 H40 Ag4 N12 O10 -","2","0.5","","Sun, Di; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","Series of Ag(I) Coordination Complexes Derived from Aminopyrimidyl Ligands and Dicarboxylates: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2010","10","8","3699","","10.1021/cg100554u","","","0.71073","MoKα","","0.0311","0.0291","","","0.0655","0.0665","","","","","","1.175","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501854","9.0313","0.0011","10.0434","0.0013","12.4591","0.0016","97.387","0.007","109.497","0.003","101.338","0.006","1021.2","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H46 Ag4 N12 O11 -","- C30 H46 Ag4 N12 O11 -","- C30 H46 Ag4 N12 O11 -","1","0.5","","Sun, Di; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","Series of Ag(I) Coordination Complexes Derived from Aminopyrimidyl Ligands and Dicarboxylates: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2010","10","8","3699","","10.1021/cg100554u","","","0.71073","MoKα","","0.0461","0.0399","","","0.1048","0.1108","","","","","","1.051","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501855","11.742","0.004","10.703","0.004","18.894","0.006","90","","110.545","0.018","90","","2223.5","1.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Ag2 N6 O6 -","- C18 H22 Ag2 N6 O6 -","- C72 H88 Ag8 N24 O24 -","4","1","","Sun, Di; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","Series of Ag(I) Coordination Complexes Derived from Aminopyrimidyl Ligands and Dicarboxylates: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2010","10","8","3699","","10.1021/cg100554u","","","0.71073","MoKα","","0.0854","0.0732","","","0.1561","0.1622","","","","","","1.173","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501856","8.9879","0.0013","11.294","0.0018","12.2234","0.0017","111.792","0.014","98.424","0.012","109.836","0.014","1029.7","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Ag2 N6 O5 -","- C18 H20 Ag2 N6 O5 -","- C36 H40 Ag4 N12 O10 -","2","1","","Sun, Di; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","Series of Ag(I) Coordination Complexes Derived from Aminopyrimidyl Ligands and Dicarboxylates: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2010","10","8","3699","","10.1021/cg100554u","","","0.71073","MoKα","","0.0766","0.0389","","","0.0641","0.0702","","","","","","0.88","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501857","7.122","0.002","10.418","0.004","11.812","0.004","66.138","0.006","86.572","0.008","88.632","0.007","800.1","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H40 Ag2 N12 O6 -","- C26 H40 Ag2 N12 O6 -","- C26 H40 Ag2 N12 O6 -","1","0.5","","Sun, Di; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","Series of Ag(I) Coordination Complexes Derived from Aminopyrimidyl Ligands and Dicarboxylates: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2010","10","8","3699","","10.1021/cg100554u","","","0.71073","MoKα","","0.0496","0.0457","","","0.1341","0.1358","","","","","","1.243","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501858","15.676","0.003","15.049","0.003","12.097","0.002","90","","107.31","0.03","90","","2724.5","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Ag2 N6 O5 -","- C26 H28 Ag2 N6 O5 -","- C104 H112 Ag8 N24 O20 -","4","0.5","","Sun, Di; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","Series of Ag(I) Coordination Complexes Derived from Aminopyrimidyl Ligands and Dicarboxylates: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2010","10","8","3699","","10.1021/cg100554u","","","0.71073","MoKα","","0.0397","0.0288","","","0.0621","0.068","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501859","11.935","0.007","7.395","0.004","9.756","0.006","90","","111.845","0.007","90","","799.2","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C2 H8 Fe O7 P S -","- C2 H6 Fe O7 P S -","- C8 H24 Fe4 O28 P4 S4 -","4","1","","Du, Zi-Yi; Wen, He-Rui; Liu, Cai-Ming; Sun, Yu-Hui; Lu, Ying-Bing; Xie, Yong-Rong","Layered Iron(III) and Cobalt(II) Phosphonates Decorated by Hydrophilic Sulfone Groups: Syntheses, Structures and Magnetic Properties","Crystal Growth & Design","2010","10","8","3721","","10.1021/cg100559c","","","0.71073","MoKα","","0.0781","0.0587","","","0.1436","0.155","","","","","","1.047","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501860","8.4557","0.0007","13.2169","0.0012","28.218","0.003","90","","102.063","0.007","90","","3084","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H32 Co4 O26 P4 S4 -","- C8 H20 Co4 O26 P4 S4 -","- C32 H80 Co16 O104 P16 S16 -","4","1","","Du, Zi-Yi; Wen, He-Rui; Liu, Cai-Ming; Sun, Yu-Hui; Lu, Ying-Bing; Xie, Yong-Rong","Layered Iron(III) and Cobalt(II) Phosphonates Decorated by Hydrophilic Sulfone Groups: Syntheses, Structures and Magnetic Properties","Crystal Growth & Design","2010","10","8","3721","","10.1021/cg100559c","","","0.71073","MoKα","","0.1523","0.0788","","","0.1741","0.1957","","","","","","1.054","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501861","13.563","0.006","12.075","0.005","9.293","0.004","90","","91.723","0.006","90","","1521.3","1.1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H6 Br4 O4 S -","- C12 H6 Br4 O4 S -","- C48 H24 Br16 O16 S4 -","4","0.5","","Lü, Jian; Han, Li-Wei; Lin, Jing-Xiang; Liu, Tian-Fu; Cao, Rong","Rare Case of a Triple-Stranded Molecular Braid in an Organic Cocrystal","Crystal Growth & Design","2010","10","10","4217","","10.1021/cg100577t","","","0.71073","MoKα","","0.0352","0.0297","","","0.0984","0.1049","","","","","","0.847","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501862","9.043","0.001","34.31","0.05","9.524","0.002","90","","105.4","0.03","90","","2849","4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 Br4 N2 O5 S -","- C26 H24 Br4 N2 O5 S -","- C104 H96 Br16 N8 O20 S4 -","4","1","","Lü, Jian; Han, Li-Wei; Lin, Jing-Xiang; Liu, Tian-Fu; Cao, Rong","Rare Case of a Triple-Stranded Molecular Braid in an Organic Cocrystal","Crystal Growth & Design","2010","10","10","4217","","10.1021/cg100577t","","","0.71073","MoKα","","0.1025","0.0632","","","0.1648","0.1988","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501863","14.178","0.008","4.85","0.003","22.992","0.013","90","","97.482","0.009","90","","1567.5","1.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H4 O4 Sn -","- C8 H4 O4 Sn -","- C64 H32 O32 Sn8 -","8","1","","Wang, Xiqu; Liu, Lumei; Makarenko, Tatyana; Jacobson, Allan J.","Influence of Ligand Geometry on the Dimensionality of Sn(II) Benzenedicarboxylate Crystal Structures","Crystal Growth & Design","2010","10","8","3752","","10.1021/cg1005874","","","0.71073","MoKα","","0.0704","0.0681","","","0.1933","0.1941","","","","","","1.293","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501864","14.21","0.0019","4.8511","0.0006","12.931","0.0013","90","","117.854","0.005","90","","788.11","0.17","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C8 H4 O4 Sn -","- C8 H4 O4 Sn -","- C32 H16 O16 Sn4 -","4","1","","Wang, Xiqu; Liu, Lumei; Makarenko, Tatyana; Jacobson, Allan J.","Influence of Ligand Geometry on the Dimensionality of Sn(II) Benzenedicarboxylate Crystal Structures","Crystal Growth & Design","2010","10","8","3752","","10.1021/cg1005874","","","0.71073","MoKα","","0.027","0.0243","","","0.054","0.0551","","","","","","0.978","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501865","18.2747","0.0005","18.2747","0.0005","4.6038","0.0003","90","","90","","90","","1537.51","0.12","293","2","293","2","","","","","","","","4","P 42/n c m :2","-P 4ac 2ac","138","","","","- C8 H4 O4 Sn -","- C8 H4 O4 Sn -","- C64 H32 O32 Sn8 -","8","0.5","","Wang, Xiqu; Liu, Lumei; Makarenko, Tatyana; Jacobson, Allan J.","Influence of Ligand Geometry on the Dimensionality of Sn(II) Benzenedicarboxylate Crystal Structures","Crystal Growth & Design","2010","10","8","3752","","10.1021/cg1005874","","","0.71073","MoKα","","0.0246","0.0194","","","0.0523","0.0543","","","","","","1.076","","","","has coordinates,has disorder","179549","2020-10-21","18:00:00",""
"4501866","6.9475","0.001","7.1514","0.0011","19.14","0.003","83.761","0.001","89.7","0.002","64.07","0.001","849.2","0.2","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H8 O9 Sn3 -","- C16 H8 O9 Sn3 -","- C32 H16 O18 Sn6 -","2","1","","Wang, Xiqu; Liu, Lumei; Makarenko, Tatyana; Jacobson, Allan J.","Influence of Ligand Geometry on the Dimensionality of Sn(II) Benzenedicarboxylate Crystal Structures","Crystal Growth & Design","2010","10","8","3752","","10.1021/cg1005874","","","0.71073","MoKα","","0.0347","0.0338","","","0.1007","0.1017","","","","","","1.072","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501867","7.9711","0.0006","8.9324","0.0006","9.7837","0.0007","69.193","0.001","66.872","0.001","65.622","0.001","567.79","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H38 N6 S2 -","- C18 H38 N6 S2 -","- C18 H38 N6 S2 -","1","0.5","","Paisner, Kathryn; Zakharov, Lev N.; Doxsee, Kenneth M.","A Robust Thiourea Synthon for Crystal Engineering","Crystal Growth & Design","2010","10","8","3757","","10.1021/cg100589n","","","0.71073","MoKα","","0.0702","0.0557","","","0.1442","0.1571","","","","","","1.066","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501868","7.5087","0.0009","9.4482","0.0012","9.4581","0.0012","85.891","0.002","76.883","0.002","82.603","0.002","647.42","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H46 N6 S2 -","- C22 H46 N6 S2 -","- C22 H46 N6 S2 -","1","0.5","","Paisner, Kathryn; Zakharov, Lev N.; Doxsee, Kenneth M.","A Robust Thiourea Synthon for Crystal Engineering","Crystal Growth & Design","2010","10","8","3757","","10.1021/cg100589n","","","0.71073","MoKα","","0.0478","0.0388","","","0.0964","0.1041","","","","","","1.046","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501869","11.6092","0.0012","14.2683","0.0015","13.8136","0.0015","90","","102.133","0.001","90","","2237","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H38 N6 S2 -","- C18 H38 N6 S2 -","- C72 H152 N24 S8 -","4","1","","Paisner, Kathryn; Zakharov, Lev N.; Doxsee, Kenneth M.","A Robust Thiourea Synthon for Crystal Engineering","Crystal Growth & Design","2010","10","8","3757","","10.1021/cg100589n","","","0.71073","MoKα","","0.0394","0.0336","","","0.0907","0.0968","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501870","8.5296","0.0009","8.9162","0.001","9.0911","0.001","64.991","0.001","88.749","0.002","71.49","0.001","589.05","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H42 N6 S2 -","- C20 H42 N6 S2 -","- C20 H42 N6 S2 -","1","0.5","","Paisner, Kathryn; Zakharov, Lev N.; Doxsee, Kenneth M.","A Robust Thiourea Synthon for Crystal Engineering","Crystal Growth & Design","2010","10","8","3757","","10.1021/cg100589n","","","0.71073","MoKα","","0.0494","0.0399","","","0.0985","0.107","","","","","","1.006","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501871","6.3651","0.0004","27.4003","0.0017","9.8447","0.0006","90","","108.8","0.001","90","","1625.37","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H46 N6 O2 S4 -","- C28 H46 N6 O2 S4 -","- C56 H92 N12 O4 S8 -","2","0.5","","Paisner, Kathryn; Zakharov, Lev N.; Doxsee, Kenneth M.","A Robust Thiourea Synthon for Crystal Engineering","Crystal Growth & Design","2010","10","8","3757","","10.1021/cg100589n","","","0.71073","MoKα","","0.0526","0.0397","","","0.0876","0.099","","","","","","1.046","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501872","7.8621","0.0008","8.9516","0.0009","10.6574","0.0011","71.844","0.002","75.928","0.002","68.33","0.002","655.33","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H38 N6 S2 -","- C26 H38 N6 S2 -","- C26 H38 N6 S2 -","1","0.5","","Paisner, Kathryn; Zakharov, Lev N.; Doxsee, Kenneth M.","A Robust Thiourea Synthon for Crystal Engineering","Crystal Growth & Design","2010","10","8","3757","","10.1021/cg100589n","","","0.71073","MoKα","","0.0412","0.0359","","","0.0951","0.1007","","","","","","1.011","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501873","9.4941","0.0008","15.945","0.0013","10.5815","0.0008","90","","110.839","0.001","90","","1497.1","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H21 N3 O S -","- C14 H21 N3 O S -","- C56 H84 N12 O4 S4 -","4","1","","Paisner, Kathryn; Zakharov, Lev N.; Doxsee, Kenneth M.","A Robust Thiourea Synthon for Crystal Engineering","Crystal Growth & Design","2010","10","8","3757","","10.1021/cg100589n","","","0.71073","MoKα","","0.046","0.041","","","0.1089","0.1141","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501874","7.514","0.0007","16.7692","0.0015","18.0518","0.0017","90","","92.693","0.001","90","","2272.1","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 N5 S2 -","- C21 H29 N5 S2 -","- C84 H116 N20 S8 -","4","1","","Paisner, Kathryn; Zakharov, Lev N.; Doxsee, Kenneth M.","A Robust Thiourea Synthon for Crystal Engineering","Crystal Growth & Design","2010","10","8","3757","","10.1021/cg100589n","","","0.71073","MoKα","","0.0471","0.0367","","","0.0934","0.1019","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501875","9.222","0.006","10.094","0.007","10.107","0.007","77.489","0.009","72.452","0.009","79.864","0.008","869.5","1","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 Co N2 O4 -","- C18 H12 Co N2 O4 -","- C36 H24 Co2 N4 O8 -","2","1","","Song, Li-Fang; Jiang, Chun-Hong; Jiao, Cheng-Li; Zhang, Jian; Sun, Li-Xian; Xu, Fen; You, Wan-Sheng; Wang, Zhong-Gang; Zhao, Ji-Jun","Two New Metal−Organic Frameworks with Mixed Ligands of Carboxylate and Bipyridine: Synthesis, Crystal Structure, and Sensing for Methanol","Crystal Growth & Design","2010","10","12","5020","","10.1021/cg100599z","","","0.71073","MoKα","","0.1248","0.1016","","","0.2548","0.2714","","","","","","1.047","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501876","8.7523","0.0015","9.9715","0.0017","17.61","0.003","92.857","0.002","104.123","0.002","107.665","0.002","1407.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H24 Cu2 N4 O9 -","- C29 H23 Cu2 N4 O9 -","- C58 H46 Cu4 N8 O18 -","2","1","","Song, Li-Fang; Jiang, Chun-Hong; Jiao, Cheng-Li; Zhang, Jian; Sun, Li-Xian; Xu, Fen; You, Wan-Sheng; Wang, Zhong-Gang; Zhao, Ji-Jun","Two New Metal−Organic Frameworks with Mixed Ligands of Carboxylate and Bipyridine: Synthesis, Crystal Structure, and Sensing for Methanol","Crystal Growth & Design","2010","10","12","5020","","10.1021/cg100599z","","","0.71073","MoKα","","0.068","0.0456","","","0.1024","0.1129","","","","","","1.04","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501877","38.799","0.002","10.023","0.0003","20.4587","0.0011","90","","108.575","0.002","90","","7541.6","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H46 Cl9 N24 O18 Rh7 -","- C51 H46 Cl9 N24 O18 Rh7 -","- C204 H184 Cl36 N96 O72 Rh28 -","4","0.5","","Laurila, Elina; Oresmaa, Larisa; Niskanen, Mika; Hirva, Pipsa; Haukka, Matti","Metal−Metal Interactions in Stacked Mononuclear and Dinuclear Rhodium 2,2′-Biimidazole Carbonyl Complexes","Crystal Growth & Design","2010","10","8","3775","","10.1021/cg100606f","","","0.71073","MoKα","","0.0879","0.0434","","","0.0675","0.0769","","","","","","0.97","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501878","10.459","0.003","17.177","0.005","6.4473","0.0018","90","","106.639","0.005","90","","1109.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 N5 O5 Rh -","- C8 H6 N5 O5 Rh -","- C32 H24 N20 O20 Rh4 -","4","1","","Laurila, Elina; Oresmaa, Larisa; Niskanen, Mika; Hirva, Pipsa; Haukka, Matti","Metal−Metal Interactions in Stacked Mononuclear and Dinuclear Rhodium 2,2′-Biimidazole Carbonyl Complexes","Crystal Growth & Design","2010","10","8","3775","","10.1021/cg100606f","","","0.71073","MoKα","","0.0493","0.0323","","","0.0577","0.0627","","","","","","1.032","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501879","10.5462","0.0002","17.312","0.0004","6.567","0.0001","90","","106.402","0.001","90","","1150.18","0.04","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 N5 O5 Rh -","- C8 H6 N5 O5 Rh -","- C32 H24 N20 O20 Rh4 -","4","1","","Laurila, Elina; Oresmaa, Larisa; Niskanen, Mika; Hirva, Pipsa; Haukka, Matti","Metal−Metal Interactions in Stacked Mononuclear and Dinuclear Rhodium 2,2′-Biimidazole Carbonyl Complexes","Crystal Growth & Design","2010","10","8","3775","","10.1021/cg100606f","","","0.71073","MoKα","","0.0481","0.0322","","","0.0695","0.0764","","","","","","1.015","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501880","17.8558","0.0009","6.5035","0.0004","20.0646","0.0013","90","","90","","90","","2330","0.2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H6 B F4 N4 O2 Rh -","- C8 H6 B F4 N4 O2 Rh -","- C64 H48 B8 F32 N32 O16 Rh8 -","8","1","","Laurila, Elina; Oresmaa, Larisa; Niskanen, Mika; Hirva, Pipsa; Haukka, Matti","Metal−Metal Interactions in Stacked Mononuclear and Dinuclear Rhodium 2,2′-Biimidazole Carbonyl Complexes","Crystal Growth & Design","2010","10","8","3775","","10.1021/cg100606f","","","0.71073","MoKα","","0.0404","0.0271","","","0.0622","0.0682","","","","","","1.026","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501881","17.9281","0.0005","6.5784","0.0002","20.1763","0.0005","90","","90","","90","","2379.56","0.11","220","2","220","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H6 B F4 N4 O2 Rh -","- C8 H6 B F4 N4 O2 Rh -","- C64 H48 B8 F32 N32 O16 Rh8 -","8","1","","Laurila, Elina; Oresmaa, Larisa; Niskanen, Mika; Hirva, Pipsa; Haukka, Matti","Metal−Metal Interactions in Stacked Mononuclear and Dinuclear Rhodium 2,2′-Biimidazole Carbonyl Complexes","Crystal Growth & Design","2010","10","8","3775","","10.1021/cg100606f","","","0.71073","MoKα","","0.0734","0.0357","","","0.0682","0.0805","","","","","","1.014","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501882","18.091","0.005","6.6391","0.0019","20.244","0.006","90","","90","","90","","2431.5","1.2","297","2","297","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H6 B F4 N4 O2 Rh -","- C8 H6 B F4 N4 O2 Rh -","- C64 H48 B8 F32 N32 O16 Rh8 -","8","1","","Laurila, Elina; Oresmaa, Larisa; Niskanen, Mika; Hirva, Pipsa; Haukka, Matti","Metal−Metal Interactions in Stacked Mononuclear and Dinuclear Rhodium 2,2′-Biimidazole Carbonyl Complexes","Crystal Growth & Design","2010","10","8","3775","","10.1021/cg100606f","","","0.71073","MoKα","","0.0676","0.0349","","","0.0799","0.0932","","","","","","1.015","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501883","14.1879","0.0008","23.784","0.002","6.7703","0.0006","90","","93.861","0.005","90","","2279.4","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 Cl4 N8 O9 Rh4 -","- C26 H26 Cl4 N8 O9 Rh4 -","- C52 H52 Cl8 N16 O18 Rh8 -","2","0.25","","Laurila, Elina; Oresmaa, Larisa; Niskanen, Mika; Hirva, Pipsa; Haukka, Matti","Metal−Metal Interactions in Stacked Mononuclear and Dinuclear Rhodium 2,2′-Biimidazole Carbonyl Complexes","Crystal Growth & Design","2010","10","8","3775","","10.1021/cg100606f","","","0.71073","MoKα","","0.0808","0.0594","","","0.142","0.1533","","","","","","1.092","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501884","14.4401","0.0005","16.6604","0.0007","14.9806","0.0006","90","","98.581","0.002","90","","3563.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Cl2 N4 O4 Rh2 -","- C12 H10 Cl2 N4 O4 Rh2 -","- C96 H80 Cl16 N32 O32 Rh16 -","8","2","","Laurila, Elina; Oresmaa, Larisa; Niskanen, Mika; Hirva, Pipsa; Haukka, Matti","Metal−Metal Interactions in Stacked Mononuclear and Dinuclear Rhodium 2,2′-Biimidazole Carbonyl Complexes","Crystal Growth & Design","2010","10","8","3775","","10.1021/cg100606f","","","0.71073","MoKα","","0.0348","0.0219","","","0.0447","0.0487","","","","","","1.027","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501885","16.0043","0.0005","11.7564","0.0003","26.4903","0.0006","90","","90","","90","","4984.2","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H18 Cl2 N4 O4 Rh2 -","- C24 H18 Cl2 N4 O4 Rh2 -","- C192 H144 Cl16 N32 O32 Rh16 -","8","1","","Laurila, Elina; Oresmaa, Larisa; Niskanen, Mika; Hirva, Pipsa; Haukka, Matti","Metal−Metal Interactions in Stacked Mononuclear and Dinuclear Rhodium 2,2′-Biimidazole Carbonyl Complexes","Crystal Growth & Design","2010","10","8","3775","","10.1021/cg100606f","","","0.71073","MoKα","","0.0542","0.0326","","","0.067","0.0733","","","","","","1.131","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501886","15.8478","0.0019","7.8815","0.0009","12.7434","0.0008","90","","94.878","0.007","90","","1585.9","0.3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 N4 -","- C20 H18 N4 -","- C80 H72 N16 -","4","0.5","","Laurila, Elina; Oresmaa, Larisa; Niskanen, Mika; Hirva, Pipsa; Haukka, Matti","Metal−Metal Interactions in Stacked Mononuclear and Dinuclear Rhodium 2,2′-Biimidazole Carbonyl Complexes","Crystal Growth & Design","2010","10","8","3775","","10.1021/cg100606f","","","0.71073","MoKα","","0.0847","0.049","","","0.117","0.1319","","","","","","1.083","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501887","10.1963","0.0002","23.3619","0.0005","40.0346","0.0011","90","","90.608","0.002","90","","9535.9","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C132 H182 Cu9 N72 O64 S6 -","- C132 H174 Cu9 N72 O64 S6 -","- C264 H348 Cu18 N144 O128 S12 -","2","0.5","","Tian, Li; Zhang, Zhen-Jie; Yu, Ao; Shi, Wei; Chen, Zhi; Cheng, Peng","A New Type of Entanglement Involving Ribbons of Rings and Two Different Kinds of 2D (4,4) Networks (2D + 2D + 1D) Polycatenated in a 3D Supramolecular Architecture","Crystal Growth & Design","2010","10","9","3847","","10.1021/cg100635r","","","0.71073","MoKα","","0.0992","0.0607","","","0.1546","0.1655","","","","","","0.987","","","","has coordinates,has disorder","179549","2020-10-21","18:00:00",""
"4501888","9.795","0.002","12.732","0.003","14.262","0.003","90","","95.68","0.03","90","","1769.9","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Cu N6 O7 S -","- C15 H14 Cu N6 O7 S -","- C60 H56 Cu4 N24 O28 S4 -","4","1","","Tian, Li; Zhang, Zhen-Jie; Yu, Ao; Shi, Wei; Chen, Zhi; Cheng, Peng","A New Type of Entanglement Involving Ribbons of Rings and Two Different Kinds of 2D (4,4) Networks (2D + 2D + 1D) Polycatenated in a 3D Supramolecular Architecture","Crystal Growth & Design","2010","10","9","3847","","10.1021/cg100635r","","","0.71073","MoKα","","0.0429","0.0317","","","0.0773","0.0806","","","","","","1.023","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501889","13.0162","0.0007","15.7415","0.0007","16.3661","0.0007","90","","92.855","0.005","90","","3349.2","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H37 Cu1.5 N12 O14 S -","- C22 H37 Cu1.5 N12 O14 S -","- C88 H148 Cu6 N48 O56 S4 -","4","1","","Tian, Li; Zhang, Zhen-Jie; Yu, Ao; Shi, Wei; Chen, Zhi; Cheng, Peng","A New Type of Entanglement Involving Ribbons of Rings and Two Different Kinds of 2D (4,4) Networks (2D + 2D + 1D) Polycatenated in a 3D Supramolecular Architecture","Crystal Growth & Design","2010","10","9","3847","","10.1021/cg100635r","","","0.71073","MoKα","","0.0604","0.0388","","","0.085","0.0906","","","","","","0.938","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501890","18.942","0.002","7.3043","0.0009","7.1343","0.0006","90","","94.013","0.009","90","","984.67","0.18","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 Cd O4 -","- C12 H6 Cd O4 -","- C48 H24 Cd4 O16 -","4","1","","Fang, Shao-Ming; Zhang, Qiang; Hu, Min; Yang, Xiao-Gang; Zhou, Li-Ming; Du, Miao; Liu, Chun-Sen","Regulation and Properties of Diversiform Cd(II) Supramolecular Complexes with a Bulky Naphthalene-Based Dicarboxyl Tecton and DifferentN-Donor Co-Ligands","Crystal Growth & Design","2010","10","11","4773","","10.1021/cg100645p","","","0.71073","MoKα","","0.0501","0.0274","","","0.0349","0.0361","","","","","","1.042","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501891","13.0727","0.0012","13.6739","0.0011","14.0003","0.0013","70.611","0.008","62.785","0.009","78.86","0.007","2096.8","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C44.5 H34 Cd2 N4 O10.5 -","- C44.5 H34 Cd2 N4 O10.5 -","- C89 H68 Cd4 N8 O21 -","2","1","","Fang, Shao-Ming; Zhang, Qiang; Hu, Min; Yang, Xiao-Gang; Zhou, Li-Ming; Du, Miao; Liu, Chun-Sen","Regulation and Properties of Diversiform Cd(II) Supramolecular Complexes with a Bulky Naphthalene-Based Dicarboxyl Tecton and DifferentN-Donor Co-Ligands","Crystal Growth & Design","2010","10","11","4773","","10.1021/cg100645p","","","0.71073","MoKα","","0.0728","0.0362","","","0.0702","0.0727","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501892","10.8176","0.0006","13.6803","0.0006","14.8358","0.0008","79.974","0.004","83.661","0.004","67.607","0.004","1996.62","0.19","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H28 Cd2 N4 O8 -","- C48 H28 Cd2 N4 O8 -","- C96 H56 Cd4 N8 O16 -","2","1","","Fang, Shao-Ming; Zhang, Qiang; Hu, Min; Yang, Xiao-Gang; Zhou, Li-Ming; Du, Miao; Liu, Chun-Sen","Regulation and Properties of Diversiform Cd(II) Supramolecular Complexes with a Bulky Naphthalene-Based Dicarboxyl Tecton and DifferentN-Donor Co-Ligands","Crystal Growth & Design","2010","10","11","4773","","10.1021/cg100645p","","","0.71073","MoKα","","0.0613","0.0364","","","0.071","0.0733","","","","","","1.026","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501893","7.7519","0.0008","9.2376","0.0008","12.0934","0.001","80.994","0.007","82.035","0.008","85.377","0.008","845.53","0.14","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 Cd2 N2 O14 -","- C34 H32 Cd2 N2 O14 -","- C34 H32 Cd2 N2 O14 -","1","0.5","","Fang, Shao-Ming; Zhang, Qiang; Hu, Min; Yang, Xiao-Gang; Zhou, Li-Ming; Du, Miao; Liu, Chun-Sen","Regulation and Properties of Diversiform Cd(II) Supramolecular Complexes with a Bulky Naphthalene-Based Dicarboxyl Tecton and DifferentN-Donor Co-Ligands","Crystal Growth & Design","2010","10","11","4773","","10.1021/cg100645p","","","0.71073","MoKα","","0.0408","0.0288","","","0.0374","0.0384","","","","","","0.943","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501894","18.4754","0.001","21.5101","0.0014","12.5984","0.0006","90","","102.731","0.005","90","","4883.6","0.5","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 Cd N4 O6 -","- C22 H18 Cd N4 O6 -","- C176 H144 Cd8 N32 O48 -","8","1","","Fang, Shao-Ming; Zhang, Qiang; Hu, Min; Yang, Xiao-Gang; Zhou, Li-Ming; Du, Miao; Liu, Chun-Sen","Regulation and Properties of Diversiform Cd(II) Supramolecular Complexes with a Bulky Naphthalene-Based Dicarboxyl Tecton and DifferentN-Donor Co-Ligands","Crystal Growth & Design","2010","10","11","4773","","10.1021/cg100645p","","","0.71073","MoKα","","0.0452","0.0285","","","0.0728","0.0747","","","","","","1.081","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501895","10.4451","0.0006","12.4548","0.001","28.6487","0.0017","90","","90","","90","","3727","0.4","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H40 Cd N4 O7 -","- C38 H40 Cd N4 O7 -","- C152 H160 Cd4 N16 O28 -","4","1","","Fang, Shao-Ming; Zhang, Qiang; Hu, Min; Yang, Xiao-Gang; Zhou, Li-Ming; Du, Miao; Liu, Chun-Sen","Regulation and Properties of Diversiform Cd(II) Supramolecular Complexes with a Bulky Naphthalene-Based Dicarboxyl Tecton and DifferentN-Donor Co-Ligands","Crystal Growth & Design","2010","10","11","4773","","10.1021/cg100645p","","","0.71073","MoKα","","0.1015","0.0708","","","0.1739","0.1834","","","","","","0.965","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501896","9.609","0.005","21.569","0.005","14.079","0.005","90","0.005","109.803","0.005","90","0.005","2745.4","1.8","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Ag3 Mo12 N16 O40 P S4 -","- C12 H20 Ag3 Mo12 N16 O40 P S4 -","- C24 H40 Ag6 Mo24 N32 O80 P2 S8 -","2","0.5","","Wang, Xiu-li; Hu, Hai-liang; Tian, Ai-xiang","Influence of Transition Metal Coordination Nature on the Assembly of Multinuclear Subunits in Polyoxometalates-Based Compounds","Crystal Growth & Design","2010","10","11","4786","","10.1021/cg1006742","","","0.71069","MoKα","","0.0405","0.033","","","0.0624","0.065","","","","","","1.042","","","","has coordinates,has disorder","179549","2020-10-21","18:00:00",""
"4501897","18.9871","0.0007","21.7357","0.0008","15.74","0.0006","90","","96.366","0.001","90","","6455.8","0.4","185","2","185","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C18 H30 Cu3 Mo12 N24 O40 P S6 -","- C18 H30 Cu3 Mo12 N24 O40 P S6 -","- C72 H120 Cu12 Mo48 N96 O160 P4 S24 -","4","0.5","","Wang, Xiu-li; Hu, Hai-liang; Tian, Ai-xiang","Influence of Transition Metal Coordination Nature on the Assembly of Multinuclear Subunits in Polyoxometalates-Based Compounds","Crystal Growth & Design","2010","10","11","4786","","10.1021/cg1006742","","","0.71073","MoKα","","0.0248","0.0229","","","0.0528","0.0536","","","","","","1.106","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501898","11.6599","0.0006","11.6599","0.0006","41.664","0.004","90","","90","","120","","4905.5","0.6","293","2","293","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C18 H31 Cu Mo12 N24 O40 P S6 -","- C18 H30 Cu Mo12 N24 O40 P S6 -","- C54 H90 Cu3 Mo36 N72 O120 P3 S18 -","3","0.166667","","Wang, Xiu-li; Hu, Hai-liang; Tian, Ai-xiang","Influence of Transition Metal Coordination Nature on the Assembly of Multinuclear Subunits in Polyoxometalates-Based Compounds","Crystal Growth & Design","2010","10","11","4786","","10.1021/cg1006742","","","0.71073","MoKα","","0.0358","0.0326","","","0.0944","0.0965","","","","","","0.983","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501899","11.666","0.0006","11.666","0.0006","41.825","0.004","90","","90","","120","","4929.6","0.6","296","2","296","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C18 H31 Mo12 N24 Ni O40 P S6 -","- C18 H30 Mo12 N24 Ni O40.04 P S6 -","- C54 H90 Mo36 N72 Ni3 O120.12 P3 S18 -","3","0.166667","","Wang, Xiu-li; Hu, Hai-liang; Tian, Ai-xiang","Influence of Transition Metal Coordination Nature on the Assembly of Multinuclear Subunits in Polyoxometalates-Based Compounds","Crystal Growth & Design","2010","10","11","4786","","10.1021/cg1006742","","","0.71073","MoKα","","0.0437","0.0354","","","0.0934","0.0976","","","","","","0.989","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501900","12.365","0.013","11.292","0.012","24.13","0.03","90","","91.121","0.016","90","","3369","7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H26 Hg2 N4 O2 S6 -","- C29 H26 Hg2 N4 O2 S6 -","- C116 H104 Hg8 N16 O8 S24 -","4","1","","Kim, Hyun Jee; Lindoy, Leonard F.; Lee, Shim Sung","Networking of Tribenzo-O2S2-Macrocycles with Mercury Thiocyanate: Effect of Macrocyclic Isomers","Crystal Growth & Design","2010","10","9","3850","","10.1021/cg100687v","","","0.71073","MoKα","","0.055","0.0373","","","0.0754","0.0808","","","","","","1.034","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501901","11.207","0.005","11.897","0.005","14.134","0.006","103.71","0.02","89.77","0.02","114.574","0.018","1655.4","1.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H26 Hg2 N4 O2 S6 -","- C29 H26 Hg2 N4 O2 S6 -","- C58 H52 Hg4 N8 O4 S12 -","2","1","","Kim, Hyun Jee; Lindoy, Leonard F.; Lee, Shim Sung","Networking of Tribenzo-O2S2-Macrocycles with Mercury Thiocyanate: Effect of Macrocyclic Isomers","Crystal Growth & Design","2010","10","9","3850","","10.1021/cg100687v","","","0.71073","MoKα","","0.0434","0.0365","","","0.0937","0.098","","","","","","1.067","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501902","14.3447","0.0007","14.59","0.0006","25.5191","0.0011","90","","90","","90","","5340.9","0.4","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C27 H26 Hg N2 O2 S4 -","- C27 H26 Hg N2 O2 S4 -","- C216 H208 Hg8 N16 O16 S32 -","8","1","","Kim, Hyun Jee; Lindoy, Leonard F.; Lee, Shim Sung","Networking of Tribenzo-O2S2-Macrocycles with Mercury Thiocyanate: Effect of Macrocyclic Isomers","Crystal Growth & Design","2010","10","9","3850","","10.1021/cg100687v","","","0.71073","MoKα","","0.0285","0.0229","","","0.0543","0.0576","","","","","","1.091","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501903","19.72","0.02","12.388","0.008","16.563","0.013","90","","104.94","0.1","90","","3909","6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 N3 O5 Zn -","- C22 H18 N3 O5 Zn -","- C176 H144 N24 O40 Zn8 -","8","1","","Liu, Hai-Yan; Wu, Hua; Ma, Jian-Fang; Liu, Ying-Ying; Liu, Bo; Yang, Jin","Syntheses, Structures, and Photoluminescence of Zinc(II) Coordination Polymers Based on Carboxylates and Flexible Bis-[(pyridyl)-benzimidazole] Ligands","Crystal Growth & Design","2010","10","11","4795","","10.1021/cg100688z","","","0.71073","MoKα","","0.1409","0.0708","","","0.1617","0.1843","","","","","","0.957","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501904","8.712","0.003","10.869","0.005","12.553","0.006","114.25","0.04","92.97","0.04","111.84","0.04","976.1","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H36 N6 O10 Zn2 -","- C44 H36 N6 O10 Zn2 -","- C44 H36 N6 O10 Zn2 -","1","0.5","","Liu, Hai-Yan; Wu, Hua; Ma, Jian-Fang; Liu, Ying-Ying; Liu, Bo; Yang, Jin","Syntheses, Structures, and Photoluminescence of Zinc(II) Coordination Polymers Based on Carboxylates and Flexible Bis-[(pyridyl)-benzimidazole] Ligands","Crystal Growth & Design","2010","10","11","4795","","10.1021/cg100688z","","","1.54184","CuKα","","0.1826","0.0753","","","0.1445","0.1887","","","","","","1.088","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501905","8.6457","0.0005","23.0914","0.0011","11.5675","0.0005","90","","105.197","0.005","90","","2228.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H40.5 N6 O10.5 Zn2 -","- C46 H36 N6 O10.25 Zn2 -","- C92 H72 N12 O20.5 Zn4 -","2","0.5","","Liu, Hai-Yan; Wu, Hua; Ma, Jian-Fang; Liu, Ying-Ying; Liu, Bo; Yang, Jin","Syntheses, Structures, and Photoluminescence of Zinc(II) Coordination Polymers Based on Carboxylates and Flexible Bis-[(pyridyl)-benzimidazole] Ligands","Crystal Growth & Design","2010","10","11","4795","","10.1021/cg100688z","","","0.71073","MoKα","","0.1683","0.0781","","","0.1834","0.2027","","","","","","1.048","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4501906","15.0433","0.0007","16.9932","0.0006","18.9513","0.0007","90","","90","","90","","4844.6","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C47 H40 N6 O9 Zn2 -","- C47 H39 N6 O9 Zn2 -","- C188 H156 N24 O36 Zn8 -","4","0.5","","Liu, Hai-Yan; Wu, Hua; Ma, Jian-Fang; Liu, Ying-Ying; Liu, Bo; Yang, Jin","Syntheses, Structures, and Photoluminescence of Zinc(II) Coordination Polymers Based on Carboxylates and Flexible Bis-[(pyridyl)-benzimidazole] Ligands","Crystal Growth & Design","2010","10","11","4795","","10.1021/cg100688z","","","0.71073","MoKα","","0.1564","0.0568","","","0.1422","0.1687","","","","","","0.78","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501907","10.811","0.005","15.391","0.005","15.011","0.005","90","0.005","110.388","0.005","90","0.005","2341.2","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H48 N6 O10 Zn2 -","- C50 H44 N6 O10 Zn2 -","- C100 H88 N12 O20 Zn4 -","2","0.5","","Liu, Hai-Yan; Wu, Hua; Ma, Jian-Fang; Liu, Ying-Ying; Liu, Bo; Yang, Jin","Syntheses, Structures, and Photoluminescence of Zinc(II) Coordination Polymers Based on Carboxylates and Flexible Bis-[(pyridyl)-benzimidazole] Ligands","Crystal Growth & Design","2010","10","11","4795","","10.1021/cg100688z","","","0.71073","MoKα","","0.118","0.0496","","","0.1364","0.1526","","","","","","0.841","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501908","10.156","0.005","10.933","0.005","12.072","0.005","107.783","0.005","95.133","0.005","96.859","0.005","1255.9","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H50 N6 O10 Zn2 -","- C52 H32 N6 O10 Zn2 -","- C52 H32 N6 O10 Zn2 -","1","0.5","","Liu, Hai-Yan; Wu, Hua; Ma, Jian-Fang; Liu, Ying-Ying; Liu, Bo; Yang, Jin","Syntheses, Structures, and Photoluminescence of Zinc(II) Coordination Polymers Based on Carboxylates and Flexible Bis-[(pyridyl)-benzimidazole] Ligands","Crystal Growth & Design","2010","10","11","4795","","10.1021/cg100688z","","","0.71069","MoKα","","0.1099","0.0545","","","0.1162","0.1292","","","","","","0.92","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4501909","11.578","0.004","12.193","0.004","13.787","0.004","66.907","0.004","86.72","0.005","80.131","0.005","1763.8","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H76 N14 Ni5 O30 S2 -","- C50 H76 N14 Ni5 O30 S2 -","- C50 H76 N14 Ni5 O30 S2 -","1","0.5","","Chen, Zilu; Jia, Maomao; Zhang, Zhong; Liang, Fupei","Construction of Planar Clusters Using Planar Aromatic Polyoxime Ligands: Synthesis, Structure, and Magnetic Properties","Crystal Growth & Design","2010","10","11","4806","","10.1021/cg100694w","","","0.71073","MoKα","","0.1104","0.0627","","","0.1437","0.1739","","","","","","1.011","","","","has coordinates,has disorder","179550","2020-10-21","18:00:00",""
"4501910","21.2288","0.0015","15.8791","0.0012","22.8186","0.0017","90","","112.813","0.001","90","","7090.3","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H68 N12 Ni5 O33 S2 -","- C50 H68 N12 Ni5 O33 S2 -","- C200 H272 N48 Ni20 O132 S8 -","4","1","","Chen, Zilu; Jia, Maomao; Zhang, Zhong; Liang, Fupei","Construction of Planar Clusters Using Planar Aromatic Polyoxime Ligands: Synthesis, Structure, and Magnetic Properties","Crystal Growth & Design","2010","10","11","4806","","10.1021/cg100694w","","","0.71073","MoKα","","0.1316","0.0702","","","0.1768","0.2169","","","","","","1.027","","","","has coordinates,has disorder","179550","2020-10-21","18:00:00",""
"4501911","35.293","0.007","17.769","0.004","13.601","0.003","90","","92.72","0.03","90","","8520","3","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H35 Mn3 N8 O17 -","- C35 H35 Mn3 N8 O17 -","- C280 H280 Mn24 N64 O136 -","8","1","","Chen, Zilu; Jia, Maomao; Zhang, Zhong; Liang, Fupei","Construction of Planar Clusters Using Planar Aromatic Polyoxime Ligands: Synthesis, Structure, and Magnetic Properties","Crystal Growth & Design","2010","10","11","4806","","10.1021/cg100694w","","","0.71073","MoKα","","0.1368","0.0997","","","0.2511","0.2857","","","","","","1.033","","","","has coordinates,has disorder","179550","2020-10-21","18:00:00",""
"4501912","16.3831","0.001","17.8693","0.0011","13.7435","0.0009","90","","95.649","0.001","90","","4003.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H37 Mn3 N8 O17 -","- C36 H37 Mn3 N8 O17 -","- C144 H148 Mn12 N32 O68 -","4","1","","Chen, Zilu; Jia, Maomao; Zhang, Zhong; Liang, Fupei","Construction of Planar Clusters Using Planar Aromatic Polyoxime Ligands: Synthesis, Structure, and Magnetic Properties","Crystal Growth & Design","2010","10","11","4806","","10.1021/cg100694w","","","0.71073","MoKα","","0.0647","0.044","","","0.1174","0.1348","","","","","","1.06","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501913","7.0157","0.0009","8.4568","0.001","8.5527","0.001","66.469","0.002","78.448","0.003","66.251","0.002","425.37","0.09","298","2","298","2","","","","","","","","4","P -1","-P 1","2","rossite","calcium metavanadate tetrahydrated","","- Ca H8 O10 V2 -","- Ca H8 O10 V2 -","- Ca2 H16 O20 V4 -","2","1","","Parhi, Purnendu; Upreti, Shailesh; Ramanan, Arunachalam","Crystallization of Calcium Vanadate Solids from Solution: A Metathetic Route","Crystal Growth & Design","2010","10","12","5078","","10.1021/cg100703h","","","0.71073","MoKα","","0.0304","0.0297","","","0.0849","0.0856","","","","","","1.029","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501914","19.865","0.004","6.9503","0.0011","14.623","0.002","90","","123.416","0.003","90","","1685.2","0.5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ca4 H34 O41 V8 -","- Ca4 H34 O41 V8 -","- Ca8 H68 O82 V16 -","2","0.25","","Parhi, Purnendu; Upreti, Shailesh; Ramanan, Arunachalam","Crystallization of Calcium Vanadate Solids from Solution: A Metathetic Route","Crystal Growth & Design","2010","10","12","5078","","10.1021/cg100703h","","","0.71073","MoKα","","0.056","0.0524","","","0.1432","0.1472","","","","","","1.153","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501915","16.952","0.004","6.9373","0.0014","7.2921","0.0015","90","","102.439","0.003","90","","837.4","0.3","298","2","298","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ca H6 O11 V2 -","- Ca H6 O11 V2 -","- Ca4 H24 O44 V8 -","4","0.5","","Parhi, Purnendu; Upreti, Shailesh; Ramanan, Arunachalam","Crystallization of Calcium Vanadate Solids from Solution: A Metathetic Route","Crystal Growth & Design","2010","10","12","5078","","10.1021/cg100703h","","","0.71073","MoKα","","0.0763","0.0732","","","0.2006","0.2091","","","","","","1.205","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501916","9.705","0.003","10.231","0.004","10.549","0.003","90.036","0.004","102.739","0.005","110.25","0.004","955.1","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- Ca2 H28 N2 O44 V10 -","- Ca2 H28 N2 O44 V10 -","- Ca2 H28 N2 O44 V10 -","1","0.5","","Parhi, Purnendu; Upreti, Shailesh; Ramanan, Arunachalam","Crystallization of Calcium Vanadate Solids from Solution: A Metathetic Route","Crystal Growth & Design","2010","10","12","5078","","10.1021/cg100703h","","","0.71073","MoKα","","0.0429","0.0381","","","0.1075","0.1219","","","","","","1.257","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501917","9.3072","0.0012","9.5775","0.0012","7.5116","0.0009","90","","113.735","0.001","90","","612.95","0.13","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","Dbg-Hydantoin","","","- C11 H20 N2 O2 -","- C11 H20 N2 O2 -","- C22 H40 N4 O4 -","2","1","","Chattopadhyay, Basab; Mukherjee, Alok K.; Narendra, N.; Hemantha, H. P.; Sureshbabu, Vommina V.; Helliwell, Madeliene; Mukherjee, Monika","Supramolecular Architectures in 5,5′-Substituted Hydantoins: Crystal Structures and Hirshfeld Surface Analyses","Crystal Growth & Design","2010","10","10","4476","","10.1021/cg100706n","","","0.6945","synchrotron","","0.0433","0.0433","","","0.1135","0.1135","","","","","","1.096","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501918","6.028","0.002","6.086","0.002","11.003","0.004","91.834","0.004","93.626","0.004","115.228","0.004","363.6","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","cyclohexanespiro-5'-hydantoin","","","- C7 H10 N2 O2 -","- C7 H10 N2 O2 -","- C14 H20 N4 O4 -","2","1","","Chattopadhyay, Basab; Mukherjee, Alok K.; Narendra, N.; Hemantha, H. P.; Sureshbabu, Vommina V.; Helliwell, Madeliene; Mukherjee, Monika","Supramolecular Architectures in 5,5′-Substituted Hydantoins: Crystal Structures and Hirshfeld Surface Analyses","Crystal Growth & Design","2010","10","10","4476","","10.1021/cg100706n","","","0.6945","synchrotron","","0.0512","0.0449","","","0.1262","0.1315","","","","","","1.09","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501919","7.6999","0.0008","7.7805","0.0009","9.6743","0.0011","101.768","0.001","110.567","0.001","97.192","0.001","518.84","0.1","173","2","173","2","","","","","","","","3","P -1","-P 1","2","Complex between N,N-dimethylaminopyridine and 1,4-diethynylbenzene","","","- C24 H26 N4 -","- C24 H26 N4 -","- C24 H26 N4 -","1","0.5","","Bosch, Eric","Role of sp-C−H—N Hydrogen Bonding in Crystal Engineering","Crystal Growth & Design","2010","10","8","3808","","10.1021/cg100707y","","","0.71073","MoKα","","0.0406","0.035","","","0.0864","0.0922","","","","","","1.042","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501920","6.28","0.0012","7.4487","0.0015","8.7661","0.0017","81.454","0.003","73.973","0.002","74.081","0.002","377.83","0.13","173","2","173","2","","","","","","","","3","P -1","-P 1","2","4,4'dipyridine, 1,4-diethynylbenzene complex","","","- C20 H14 N2 -","- C20 H14 N2 -","- C20 H14 N2 -","1","0.5","","Bosch, Eric","Role of sp-C−H—N Hydrogen Bonding in Crystal Engineering","Crystal Growth & Design","2010","10","8","3808","","10.1021/cg100707y","","","0.71073","MoKα","","0.075","0.0449","","","0.0975","0.1137","","","","","","1.022","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501921","6.342","0.003","7.27","0.003","9.864","0.004","105.467","0.005","100.354","0.005","91.668","0.005","429.8","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","1,2-bis(4'-pyridyl)ethyne, 1,4-diethynylbenzene complex","","","- C22 H14 N2 -","- C22 H14 N2 -","- C22 H14 N2 -","1","0.5","","Bosch, Eric","Role of sp-C−H—N Hydrogen Bonding in Crystal Engineering","Crystal Growth & Design","2010","10","8","3808","","10.1021/cg100707y","","","0.71073","MoKα","","0.075","0.0443","","","0.0991","0.1173","","","","","","1.047","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501922","6.0763","0.0006","8.1851","0.0008","9.4838","0.0009","94.27","0.001","108.557","0.001","107.201","0.001","419.69","0.07","173","2","173","2","","","","","","","","3","P -1","-P 1","2","1,2-bis(4'-pyridyl)ethene, 1,4-diethynylbenzene complex","","","- C22 H16 N2 -","- C22 H16 N2 -","- C22 H16 N2 -","1","0.5","","Bosch, Eric","Role of sp-C−H—N Hydrogen Bonding in Crystal Engineering","Crystal Growth & Design","2010","10","8","3808","","10.1021/cg100707y","","","0.71073","MoKα","","0.042","0.0353","","","0.0863","0.0935","","","","","","1.026","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501923","7.2929","0.0013","7.4845","0.0013","8.1946","0.0015","114.232","0.002","92.292","0.002","117.493","0.002","346.96","0.11","173","2","173","2","","","","","","","","3","P -1","-P 1","2","1,5-dicyanobenzene, 1,4-diethynylbenzene complex","","","- C18 H10 N2 -","- C18 H10 N2 -","- C18 H10 N2 -","1","0.5","","Bosch, Eric","Role of sp-C−H—N Hydrogen Bonding in Crystal Engineering","Crystal Growth & Design","2010","10","8","3808","","10.1021/cg100707y","","","0.71073","MoKα","","0.0967","0.0742","","","0.2338","0.2592","","","","","","1.13","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501924","6.1713","0.0013","6.2673","0.0014","9.912","0.002","101.271","0.003","99.198","0.003","90.762","0.003","370.75","0.14","200","2","200","2","","","","","","","","3","P -1","-P 1","2","pyrazine, 1,4-diethynyl-2,3,5,6-tetramethylbenzene complex","","","- C18 H18 N2 -","- C18 H18 N2 -","- C18 H18 N2 -","1","0.5","","Bosch, Eric","Role of sp-C−H—N Hydrogen Bonding in Crystal Engineering","Crystal Growth & Design","2010","10","8","3808","","10.1021/cg100707y","","","0.71073","MoKα","","0.0523","0.0456","","","0.1234","0.13","","","","","","1.044","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501925","6.1536","0.0014","6.4732","0.0015","31.627","0.007","90","","90","","90","","1259.8","0.5","173","2","173","2","","","","","","","","3","P n m a","-P 2ac 2n","62","5-ethynylpyrimidine, 2,6-diethynylpyridine complex","","","- C15 H9 N3 -","- C15 H9 N3 -","- C60 H36 N12 -","4","0.5","","Bosch, Eric","Role of sp-C−H—N Hydrogen Bonding in Crystal Engineering","Crystal Growth & Design","2010","10","8","3808","","10.1021/cg100707y","","","0.71073","MoKα","","0.0805","0.0434","","","0.1009","0.1262","","","","","","1.027","","","","has coordinates","278046","2022-09-21","15:45:41",""
"4501926","11.9119","0.0005","13.0972","0.0005","17.4684","0.0006","82.8493","0.0017","78.8468","0.0026","66.0517","0.0016","2440.42","0.17","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H26 O2 P2 -","- C27 H26 O2 P2 -","- C108 H104 O8 P8 -","4","2","","Lim, Gin Keat; Zhou, Zhongfu; Fujii, Kotaro; Calcagno, Patrizia; Tedesco, Emilio; Kitchin, Simon J.; Kariuki, Benson M.; Philp, Douglas; Harris, Kenneth D. M.","Arrays of P═O Dipoles As a Recurrent Structural Motif in Bis-Diphenylphosphine Oxides, Established from Powder X-ray Diffraction","Crystal Growth & Design","2010","10","8","3814","","10.1021/cg100715v","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.04308","","2.32","","","","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501927","5.79864","0.00011","14.5148","0.0005","15.706","0.0004","75.0714","0.0024","83.87","0.0028","82.9981","0.0025","1263.85","0.06","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H30 O2 P2 -","- C29 H30 O2 P2 -","- C58 H60 O4 P4 -","2","1","","Lim, Gin Keat; Zhou, Zhongfu; Fujii, Kotaro; Calcagno, Patrizia; Tedesco, Emilio; Kitchin, Simon J.; Kariuki, Benson M.; Philp, Douglas; Harris, Kenneth D. M.","Arrays of P═O Dipoles As a Recurrent Structural Motif in Bis-Diphenylphosphine Oxides, Established from Powder X-ray Diffraction","Crystal Growth & Design","2010","10","8","3814","","10.1021/cg100715v","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.11831","","1.65","","","","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501928","7.1508","0.0003","13.496","0.0008","16.633","0.001","90","","102.779","0.006","90","","1565.44","0.15","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 H21 Ce N O15 P2 S -","- C8 Ce2 N2 O30 P4 S2 -","- C16 Ce4 N4 O60 P8 S4 -","2","0.5","","Costantino, Ferdinando; Ienco, Andrea; Gentili, Pier Luigi; Presciutti, Federica","Synthesis, X-ray Powder Structure, and Photophysical Properties of Three New Ce(III) Sulfate- Diaminotetraphosphonate-Based Coordination Polymers","Crystal Growth & Design","2010","10","11","4831","","10.1021/cg100720v","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.13006","","2.19","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501929","11.3187","0.0004","17.4956","0.0006","7.3162","0.0002","90","","94.28","0.004","90","","1444.77","0.08","","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C4 H15 Ce N O12 P2 S -","- C8 Ce2 N2 O24 P4 S2 -","- C16 Ce4 N4 O48 P8 S4 -","2","0.5","","Costantino, Ferdinando; Ienco, Andrea; Gentili, Pier Luigi; Presciutti, Federica","Synthesis, X-ray Powder Structure, and Photophysical Properties of Three New Ce(III) Sulfate- Diaminotetraphosphonate-Based Coordination Polymers","Crystal Growth & Design","2010","10","11","4831","","10.1021/cg100720v","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.13578","","2.89","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501930","7.2875","0.0007","16.6414","0.0015","13.7197","0.0015","90","","98.061","0.011","90","","1647.4","0.3","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C5 H18 Ce N O13 P2 S -","- C10 Ce2 N2 O26 P4 S2 -","- C20 Ce4 N4 O52 P8 S4 -","2","0.5","","Costantino, Ferdinando; Ienco, Andrea; Gentili, Pier Luigi; Presciutti, Federica","Synthesis, X-ray Powder Structure, and Photophysical Properties of Three New Ce(III) Sulfate- Diaminotetraphosphonate-Based Coordination Polymers","Crystal Growth & Design","2010","10","11","4831","","10.1021/cg100720v","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.12547","","2.18","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501931","22.0003","0.0007","22.0003","0.0007","22.0003","0.0007","90","","90","","90","","10648.4","0.6","273","2","273","2","","","","","","","","5","F m -3","-F 2 2 3","202","","","","- C30 H6 N12 O25 Zn8 -","- C30 H6 N12 O25 Zn8 -","- C240 H48 N96 O200 Zn64 -","8","0.0833333","","Hu, Tuoping; Bi, Wenhua; Hu, Xiaoqin; Zhao, Xiaoliang; Sun, Daofeng","Construction of Metal−Organic Frameworks with Novel {Zn8O13} SBU or Chiral Channels throughin SituLigand Reaction","Crystal Growth & Design","2010","10","8","3324","","10.1021/cg100725j","","","0.71073","MoKα","","0.132","0.1289","","","0.3774","0.3862","","","","","","1.163","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501932","8.6429","0.0006","8.8848","0.0006","15.4504","0.001","90","","90","","90","","1186.44","0.14","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H N10 O Zn -","- C5 H N10 O Zn -","- C20 H4 N40 O4 Zn4 -","4","1","","Hu, Tuoping; Bi, Wenhua; Hu, Xiaoqin; Zhao, Xiaoliang; Sun, Daofeng","Construction of Metal−Organic Frameworks with Novel {Zn8O13} SBU or Chiral Channels throughin SituLigand Reaction","Crystal Growth & Design","2010","10","8","3324","","10.1021/cg100725j","","","0.71073","MoKα","","0.0457","0.0389","","","0.1274","0.1385","","","","","","1.207","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501933","16.224","0.003","16.644","0.003","18.176","0.004","90","","90","","90","","4908.1","1.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H26 Cd4 N8 O17 -","- C44 H26 Cd4 N8 O17 -","- C176 H104 Cd16 N32 O68 -","4","1","","Wang, Wenyue; Niu, Xiling; Gao, Yongchao; Zhu, Yanyan; Li, Gang; Lu, Huijie; Tang, Mingsheng","One Chiral and Two Achiral 3-D Coordination Polymers Constructed by 2-Phenyl Imidazole Dicarboxylate","Crystal Growth & Design","2010","10","9","4050","","10.1021/cg100736x","","","0.71073","MoKα","","0.0255","0.0236","","","0.0547","0.0554","","","","","","1.06","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501934","25.5178","0.0003","25.5178","0.0003","14.2324","0.0004","90","","90","","120","","8025.9","0.3","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C11 H11 Mn1.5 N2 O7 -","- C11 H11 Mn1.5 N2 O7 -","- C198 H198 Mn27 N36 O126 -","18","1","","Wang, Wenyue; Niu, Xiling; Gao, Yongchao; Zhu, Yanyan; Li, Gang; Lu, Huijie; Tang, Mingsheng","One Chiral and Two Achiral 3-D Coordination Polymers Constructed by 2-Phenyl Imidazole Dicarboxylate","Crystal Growth & Design","2010","10","9","4050","","10.1021/cg100736x","","","0.71073","MoKα","","0.0549","0.0407","","","0.115","0.12","","","","","","1.087","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501935","28.5972","0.0006","28.5972","0.0006","8.7442","0.0005","90","","90","","120","","6193","0.4","296","2","296","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C22 H16 Mn2 N4 O10 -","- C22 H16 Mn2 N4 O10 -","- C198 H144 Mn18 N36 O90 -","9","0.5","","Wang, Wenyue; Niu, Xiling; Gao, Yongchao; Zhu, Yanyan; Li, Gang; Lu, Huijie; Tang, Mingsheng","One Chiral and Two Achiral 3-D Coordination Polymers Constructed by 2-Phenyl Imidazole Dicarboxylate","Crystal Growth & Design","2010","10","9","4050","","10.1021/cg100736x","","","0.71073","MoKα","","0.1059","0.0515","","","0.0706","0.0767","","","","","","0.879","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501936","15.2339","0.0008","18.7155","0.001","18.5473","0.001","90","","98.166","0.001","90","","5234.4","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Complex between C-Methylresorcinarene and t-butanol","","","- C50 H77 O12.5 -","- C50 H77 O12.5 -","- C200 H308 O50 -","4","1","","Momose, Aaron Alexander; Bosch, Eric","Serendipity in the Crystallization of a Series of C-Alkylcalix[4]resorcinarenes from Alcoholic Solvents","Crystal Growth & Design","2010","10","9","4043","","10.1021/cg100737c","","","0.71073","MoKα","","0.1093","0.0572","","","0.1275","0.1516","","","","","","1.022","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4501937","15.1886","0.0008","15.5624","0.0008","15.9778","0.0014","104.897","0.001","113.095","0.001","105.025","0.001","3069.5","0.4","135","2","135","2","","","","","","","","3","P -1","-P 1","2","C-Propylresorcinarene complex with t-butanol","","","- C58 H93 O12.5 -","- C58 H93 O12.5 -","- C116 H186 O25 -","2","1","","Momose, Aaron Alexander; Bosch, Eric","Serendipity in the Crystallization of a Series of C-Alkylcalix[4]resorcinarenes from Alcoholic Solvents","Crystal Growth & Design","2010","10","9","4043","","10.1021/cg100737c","","","0.71073","MoKα","","0.0831","0.0531","","","0.1303","0.1546","","","","","","1.023","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4501938","15.352","0.002","15.722","0.002","16.276","0.002","113.402","0.002","106.967","0.002","103.345","0.002","3168","0.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","Complex between C-Butylresorcinarene and t-butanol","","","- C62 H101 O12.5 -","- C62 H101 O12.5 -","- C124 H202 O25 -","2","1","","Momose, Aaron Alexander; Bosch, Eric","Serendipity in the Crystallization of a Series of C-Alkylcalix[4]resorcinarenes from Alcoholic Solvents","Crystal Growth & Design","2010","10","9","4043","","10.1021/cg100737c","","","0.71073","MoKα","","0.1607","0.0623","","","0.1105","0.1409","","","","","","0.963","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501939","15.2253","0.0013","15.5029","0.0013","17.3279","0.0014","104.987","0.001","113.909","0.001","100.975","0.001","3404.1","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","Complex between C-Pentylresorcinarene and t-butanol","","","- C66 H109 O12.5 -","- C66 H109 O12.5 -","- C132 H218 O25 -","2","1","","Momose, Aaron Alexander; Bosch, Eric","Serendipity in the Crystallization of a Series of C-Alkylcalix[4]resorcinarenes from Alcoholic Solvents","Crystal Growth & Design","2010","10","9","4043","","10.1021/cg100737c","","","0.71073","MoKα","","0.1163","0.0569","","","0.1197","0.1438","","","","","","1.014","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501940","15.1627","0.0018","15.7027","0.0018","17.246","0.002","111.205","0.002","100.202","0.002","102.036","0.002","3597.5","0.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","C-Hexylresorcinarene complex with t-butanol","","","- C70 H117 O12.5 -","- C70 H117 O12.5 -","- C140 H234 O25 -","2","1","","Momose, Aaron Alexander; Bosch, Eric","Serendipity in the Crystallization of a Series of C-Alkylcalix[4]resorcinarenes from Alcoholic Solvents","Crystal Growth & Design","2010","10","9","4043","","10.1021/cg100737c","","","0.71073","MoKα","","0.1301","0.0649","","","0.1514","0.1825","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501941","15.2662","0.0012","15.6752","0.0012","18.679","0.0015","113.115","0.001","100.775","0.001","101.843","0.001","3841.7","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","C-Butylresorcinarene complex with t-butanol and methanol","","","- C76 H130 O13 -","- C76 H129.97 O13 -","- C152 H259.94 O26 -","2","1","","Momose, Aaron Alexander; Bosch, Eric","Serendipity in the Crystallization of a Series of C-Alkylcalix[4]resorcinarenes from Alcoholic Solvents","Crystal Growth & Design","2010","10","9","4043","","10.1021/cg100737c","","","0.71073","MoKα","","0.196","0.0989","","","0.2597","0.3333","","","","","","1.027","","","","has coordinates,has disorder","179550","2020-10-21","18:00:00",""
"4501942","15.2237","0.0012","15.7919","0.0013","22.0893","0.0018","106.962","0.001","92.499","0.001","101.835","0.001","4941.1","0.7","140","2","140","2","","","","","","","","3","P -1","-P 1","2","C-Undecylresorcinarene complex with t-butanol and methanol","","","- C91 H157 O13.5 -","- C91.0005 H157 O13.5 -","- C182.001 H314 O27 -","2","1","","Momose, Aaron Alexander; Bosch, Eric","Serendipity in the Crystallization of a Series of C-Alkylcalix[4]resorcinarenes from Alcoholic Solvents","Crystal Growth & Design","2010","10","9","4043","","10.1021/cg100737c","","","0.71073","MoKα","","0.2299","0.1111","","","0.3074","0.4","","","","","","1.119","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4501943","14.6157","0.0011","15.02","0.0012","15.481","0.002","106.67","0.002","107.365","0.002","104.393","0.001","2892.3","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","C-Butylresorcinarene complex with t-butanol and methanol","","","- C56 H89 O12.5 -","- C56 H89 O12.5 -","- C112 H178 O25 -","2","1","","Momose, Aaron Alexander; Bosch, Eric","Serendipity in the Crystallization of a Series of C-Alkylcalix[4]resorcinarenes from Alcoholic Solvents","Crystal Growth & Design","2010","10","9","4043","","10.1021/cg100737c","","","0.71073","MoKα","","0.1244","0.0604","","","0.1354","0.1757","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501944","13.9179","0.0014","23.2095","0.0014","14.575","0.001","90","","90.126","0.002","90","","4708.1","0.6","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","C-Pentylresorcinarene complex with methanol","","","- C100 H144 O20 -","- C100 H144 O20 -","- C200 H288 O40 -","2","0.25","","Momose, Aaron Alexander; Bosch, Eric","Serendipity in the Crystallization of a Series of C-Alkylcalix[4]resorcinarenes from Alcoholic Solvents","Crystal Growth & Design","2010","10","9","4043","","10.1021/cg100737c","","","0.71073","MoKα","","0.0794","0.0471","","","0.1064","0.1284","","","","","","1.03","","","","has coordinates,has disorder","179550","2020-10-21","18:00:00",""
"4501945","11.3939","0.0014","12.9275","0.0016","15.898","0.002","81.15","0.002","79.891","0.002","79.71","0.002","2250","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","C-Propylresorcinarene complex with methanol","","","- C45 H68 O13 -","- C45 H68 O13 -","- C90 H136 O26 -","2","1","","Momose, Aaron Alexander; Bosch, Eric","Serendipity in the Crystallization of a Series of C-Alkylcalix[4]resorcinarenes from Alcoholic Solvents","Crystal Growth & Design","2010","10","9","4043","","10.1021/cg100737c","","","0.71073","MoKα","","0.0985","0.0532","","","0.1123","0.1319","","","","","","1.014","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501946","16.6799","0.0008","13.4356","0.0006","17.406","0.0008","90","","99.989","0.001","90","","3841.6","0.3","150","0.2","150","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C82 H81 Ag2 F6 N13 O6 S2 -","- C82 H81 Ag2 F6 N13 O6 S2 -","- C164 H162 Ag4 F12 N26 O12 S4 -","2","0.5","","Zhang, Qian; Zhang, Jianyong; Yu, Qiong-Yan; Pan, Mei; Su, Cheng-Yong","Ring-Opening Isomerization Based on the 3-Connecting Node: Formation of a 0-D M2L3Cage, 1-D Loop-and-Chain, and 2-D (6, 3) Network","Crystal Growth & Design","2010","10","9","4076","","10.1021/cg100742c","","","0.71073","MoKα","","0.0874","0.0548","","","0.115","0.1244","","","","","","0.991","","","","has coordinates,has disorder","179550","2020-10-21","18:00:00",""
"4501947","14.6142","0.0003","14.6142","0.0003","18.4967","0.0009","90","","90","","120","","3421.17","0.19","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C75 H72 Ag2 Cl2 N12 O8 -","- C75 H72 Ag2 Cl1.98 N12 O7.98 -","- C150 H144 Ag4 Cl3.96 N24 O15.96 -","2","0.166667","","Zhang, Qian; Zhang, Jianyong; Yu, Qiong-Yan; Pan, Mei; Su, Cheng-Yong","Ring-Opening Isomerization Based on the 3-Connecting Node: Formation of a 0-D M2L3Cage, 1-D Loop-and-Chain, and 2-D (6, 3) Network","Crystal Growth & Design","2010","10","9","4076","","10.1021/cg100742c","","","0.71073","MoKα","","0.0482","0.045","","","0.113","0.1154","","","","","","1.091","","","","has coordinates,has disorder","179550","2020-10-21","18:00:00",""
"4501948","39.172","0.003","9.9604","0.0009","34.221","0.003","90","","121.969","0.002","90","","11326.9","1.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C106 H105 Ag4 Cl4 N19 O16 -","- C106 H105 Ag4 Cl4 N19 O16 -","- C424 H420 Ag16 Cl16 N76 O64 -","4","0.5","","Zhang, Qian; Zhang, Jianyong; Yu, Qiong-Yan; Pan, Mei; Su, Cheng-Yong","Ring-Opening Isomerization Based on the 3-Connecting Node: Formation of a 0-D M2L3Cage, 1-D Loop-and-Chain, and 2-D (6, 3) Network","Crystal Growth & Design","2010","10","9","4076","","10.1021/cg100742c","","","0.71073","MoKα","","0.1695","0.0886","","","0.1889","0.2277","","","","","","1.003","","","","has coordinates,has disorder","179550","2020-10-21","18:00:00",""
"4501949","10.0638","0.0003","9.789","0.0003","17.8746","0.0006","90","","101.583","0.002","90","","1725.05","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 Cl2 N2 O2 -","- C14 H24 Cl2 N2 O2 -","- C56 H96 Cl8 N8 O8 -","4","1","","Hoser, Anna A.; Dobrzycki, Łukasz; Gutmann, Matthias J.; Woźniak, Krzysztof","Charge Densities of Two Polymorphs of Hydrated 1,8-Bis(dimethylamino)naphthalene Hydrochloride—Similarities and Differences","Crystal Growth & Design","2010","10","12","5092","","10.1021/cg1007445","","","0.71073","MoKα","","0.0741","0.0735","","","0.2414","0.2417","","","","","","1.388","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501950","9.5961","0.0001","29.4384","0.0005","12.9369","0.0002","90","","99.753","0.001","90","","3601.78","0.09","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H64 Cl20 N10 O2 Pt -","- C48 H64 Cl20 N10 O2 Pt -","- C96 H128 Cl40 N20 O4 Pt2 -","2","0.5","","Gushchin, Pavel V.; Starova, Galina L.; Haukka, Matti; Kuznetsov, Maxim L.; Eremenko, Igor L.; Kukushkin, Vadim Yu.","Chloride−Chloroform Clusters Exhibiting Weak Hydrogen and Halogen Bondings Are Fully Characterized in the Solid State by X-ray Diffraction","Crystal Growth & Design","2010","10","11","4839","","10.1021/cg1007507","","","0.71073","MoKα","","0.0543","0.0383","","","0.0899","0.0956","","","","","","1.072","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501951","13.2565","0.0002","17.8931","0.0004","23.6966","0.0005","90","","90","","90","","5620.83","0.19","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H50 Cl14 N10 Pt -","- C42 H50 Cl14 N10 Pt -","- C168 H200 Cl56 N40 Pt4 -","4","0.5","","Gushchin, Pavel V.; Starova, Galina L.; Haukka, Matti; Kuznetsov, Maxim L.; Eremenko, Igor L.; Kukushkin, Vadim Yu.","Chloride−Chloroform Clusters Exhibiting Weak Hydrogen and Halogen Bondings Are Fully Characterized in the Solid State by X-ray Diffraction","Crystal Growth & Design","2010","10","11","4839","","10.1021/cg1007507","","","0.71073","MoKα","","0.0881","0.036","","","0.0747","0.0884","","","","","","1.022","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501952","9.6622","0.0002","12.7753","0.0003","15.2077","0.0003","76.02","0.001","75.277","0.001","82.099","0.002","1755.99","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H57 Cl23 N10 O2 Pt -","- C43 H57 Cl23 N10 O2 Pt -","- C43 H57 Cl23 N10 O2 Pt -","1","0.5","","Gushchin, Pavel V.; Starova, Galina L.; Haukka, Matti; Kuznetsov, Maxim L.; Eremenko, Igor L.; Kukushkin, Vadim Yu.","Chloride−Chloroform Clusters Exhibiting Weak Hydrogen and Halogen Bondings Are Fully Characterized in the Solid State by X-ray Diffraction","Crystal Growth & Design","2010","10","11","4839","","10.1021/cg1007507","","","0.71073","MoKα","","0.0449","0.0431","","","0.1057","0.107","","","","","","1.03","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501953","8.1452","0.0011","10.5171","0.0015","11.6507","0.0016","101.448","0.002","98.692","0.003","110.586","0.002","888.8","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","anderson","","","- C12 H12 Co Cr Mo6 N6 O28 -","- C12 H12 Co Cr Mo6 N6 O28 -","- C12 H12 Co Cr Mo6 N6 O28 -","1","0.5","","Singh, Monika; Lofland, Samuel E.; Ramanujachary, Kandalam V.; Ramanan, Arunachalam","Crystallization of Anderson−Evans Type Chromium Molybdate Solids Incorporated with a Metal Pyrazine Complex or Coordination Polymer","Crystal Growth & Design","2010","10","12","5105","","10.1021/cg100754k","","","0.71073","MoKα","","0.0816","0.0665","","","0.135","0.1425","","","","","","1.205","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501954","8.161","0.002","10.483","0.003","11.595","0.003","101.791","0.004","98.159","0.003","110.274","0.004","886.1","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","anderson","","","- C12 H12 Cr Mo6 N6 O28 Zn -","- C12 H12 Cr Mo6 N6 O28 Zn -","- C12 H12 Cr Mo6 N6 O28 Zn -","1","0.5","","Singh, Monika; Lofland, Samuel E.; Ramanujachary, Kandalam V.; Ramanan, Arunachalam","Crystallization of Anderson−Evans Type Chromium Molybdate Solids Incorporated with a Metal Pyrazine Complex or Coordination Polymer","Crystal Growth & Design","2010","10","12","5105","","10.1021/cg100754k","","","0.71073","MoKα","","0.0626","0.0545","","","0.123","0.127","","","","","","1.206","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501955","23.821","0.005","14.004","0.003","13.42","0.003","90","","90","","90","","4476.8","1.7","293","2","293","2","","","","","","","","7","C m c a","-C 2ac 2","64","anderson","","","- C12 H14 Cr Mo6 N4 Ni2 O42 -","- C12 H14 Cr Mo6 N4 Ni2 O42 -","- C48 H56 Cr4 Mo24 N16 Ni8 O168 -","4","","","Singh, Monika; Lofland, Samuel E.; Ramanujachary, Kandalam V.; Ramanan, Arunachalam","Crystallization of Anderson−Evans Type Chromium Molybdate Solids Incorporated with a Metal Pyrazine Complex or Coordination Polymer","Crystal Growth & Design","2010","10","12","5105","","10.1021/cg100754k","","","0.71073","MoKα","","0.0669","0.066","","","0.1476","0.1482","","","","","","1.202","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501956","6.4598","0.0008","10.9027","0.0013","10.9172","0.0013","108.952","0.002","106.59","0.004","95.778","0.002","680.89","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","anderson cluster","","","- Cr H8 Mo6 Na O34 -","- Cr H8 Mo6 Na O34 -","- Cr H8 Mo6 Na O34 -","1","0.5","","Singh, Monika; Lofland, Samuel E.; Ramanujachary, Kandalam V.; Ramanan, Arunachalam","Crystallization of Anderson−Evans Type Chromium Molybdate Solids Incorporated with a Metal Pyrazine Complex or Coordination Polymer","Crystal Growth & Design","2010","10","12","5105","","10.1021/cg100754k","","","0.71073","MoKα","","0.0367","0.0362","","","0.0946","0.0949","","","","","","1.095","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501957","8.119","0.003","10.48","0.003","11.544","0.004","101.758","0.005","98.32","0.006","110.541","0.006","875.1","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","anderson","","","- C12 H12 Cr Mo6 N6 Ni O28 -","- C12 H12 Cr Mo6 N6 Ni O28 -","- C12 H12 Cr Mo6 N6 Ni O28 -","1","0.5","","Singh, Monika; Lofland, Samuel E.; Ramanujachary, Kandalam V.; Ramanan, Arunachalam","Crystallization of Anderson−Evans Type Chromium Molybdate Solids Incorporated with a Metal Pyrazine Complex or Coordination Polymer","Crystal Growth & Design","2010","10","12","5105","","10.1021/cg100754k","","","0.71073","MoKα","","0.1114","0.0848","","","0.1637","0.176","","","","","","1.189","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501958","12.153","0.005","12.769","0.005","12.973","0.005","105.396","0.002","111.867","0.004","106.23","","1632.3","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H12 Eu F18 N O7 -","- C25 H11 Eu F18 N O7 -","- C50 H22 Eu2 F36 N2 O14 -","2","1","","Xu, Hai-Bing; Li, Jia; Zhang, Li-Yi; Huang, Xin; Li, Bing; Chen, Zhong-Ning","Structures and Photophysical Properties of Homo- and Heteronuclear Lanthanide(III) Complexes with Bridging 2-Methyl-8-hydroxylquinoline (HMq) in the μ-Phenol Mode","Crystal Growth & Design","2010","10","9","4101","","10.1021/cg100778w","","","0.71073","MoKα","","0.0479","0.0387","","","0.1011","0.1114","","","","","","1.044","","","","has coordinates,has disorder","179550","2020-10-21","18:00:00",""
"4501959","12.237","0.005","12.88","0.005","13.11","0.005","105.356","0.003","111.992","0.012","106.188","0.005","1674.4","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H12 F18 N O7 Tb -","- C25 H11 F18 N O7 Tb -","- C50 H22 F36 N2 O14 Tb2 -","2","1","","Xu, Hai-Bing; Li, Jia; Zhang, Li-Yi; Huang, Xin; Li, Bing; Chen, Zhong-Ning","Structures and Photophysical Properties of Homo- and Heteronuclear Lanthanide(III) Complexes with Bridging 2-Methyl-8-hydroxylquinoline (HMq) in the μ-Phenol Mode","Crystal Growth & Design","2010","10","9","4101","","10.1021/cg100778w","","","0.71073","MoKα","","0.097","0.0827","","","0.2425","0.2598","","","","","","1.123","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501960","12.031","0.005","12.71","0.005","12.972","0.005","105.535","0.003","112","0.001","106.269","0.003","1603.2","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H12 F18 N O7 Yb -","- C25 H11 F18 N O7 Yb -","- C50 H22 F36 N2 O14 Yb2 -","2","1","","Xu, Hai-Bing; Li, Jia; Zhang, Li-Yi; Huang, Xin; Li, Bing; Chen, Zhong-Ning","Structures and Photophysical Properties of Homo- and Heteronuclear Lanthanide(III) Complexes with Bridging 2-Methyl-8-hydroxylquinoline (HMq) in the μ-Phenol Mode","Crystal Growth & Design","2010","10","9","4101","","10.1021/cg100778w","","","0.71073","MoKα","","0.0597","0.0437","","","0.102","0.1226","","","","","","1.142","","","","has coordinates,has disorder","179550","2020-10-21","18:00:00",""
"4501961","10.901","0.003","13.091","0.003","13.635","0.002","63.912","0.007","66.895","0.007","81.286","0.009","1606.8","0.6","298","2","298","2","","","","","","","","6","P 1","P 1","1","","","","- C54 H34 Eu2 F24 N4 O14 -","- C54 H28 Eu2 F24 N4 O14 -","- C54 H28 Eu2 F24 N4 O14 -","1","1","","Xu, Hai-Bing; Li, Jia; Zhang, Li-Yi; Huang, Xin; Li, Bing; Chen, Zhong-Ning","Structures and Photophysical Properties of Homo- and Heteronuclear Lanthanide(III) Complexes with Bridging 2-Methyl-8-hydroxylquinoline (HMq) in the μ-Phenol Mode","Crystal Growth & Design","2010","10","9","4101","","10.1021/cg100778w","","","0.71073","MoKα","","0.045","0.0439","","","0.1152","0.1189","","","","","","1.128","","","","has coordinates,has disorder","179550","2020-10-21","18:00:00",""
"4501962","15.016","0.004","21.867","0.006","18.24","0.005","90","","90.591","0.005","90","","5989","3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C79 H55 Er5 F54 N2 O30 -","- C73 H37 Er5 F54 N2 O30 -","- C146 H74 Er10 F108 N4 O60 -","2","1","","Xu, Hai-Bing; Li, Jia; Zhang, Li-Yi; Huang, Xin; Li, Bing; Chen, Zhong-Ning","Structures and Photophysical Properties of Homo- and Heteronuclear Lanthanide(III) Complexes with Bridging 2-Methyl-8-hydroxylquinoline (HMq) in the μ-Phenol Mode","Crystal Growth & Design","2010","10","9","4101","","10.1021/cg100778w","","","0.71073","MoKα","","0.0644","0.0558","","","0.1477","0.1607","","","","","","1.081","","","","has coordinates,has disorder","179550","2020-10-21","18:00:00",""
"4501963","39.421","0.017","13.229","0.005","26.149","0.011","90","","115.568","0.006","90","","12301","9","298","2","298","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C44.5 H32 Cl Cr F24 N2 O17 Tb2 -","- C44.5 H28.5 Cl Cr F24 N2 O17 Tb2 -","- C356 H228 Cl8 Cr8 F192 N16 O136 Tb16 -","8","1","","Xu, Hai-Bing; Li, Jia; Zhang, Li-Yi; Huang, Xin; Li, Bing; Chen, Zhong-Ning","Structures and Photophysical Properties of Homo- and Heteronuclear Lanthanide(III) Complexes with Bridging 2-Methyl-8-hydroxylquinoline (HMq) in the μ-Phenol Mode","Crystal Growth & Design","2010","10","9","4101","","10.1021/cg100778w","","","0.71073","MoKα","","0.0824","0.0694","","","0.1946","0.2118","","","","","","1.052","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4501964","39.39","0.02","13.188","0.006","26.076","0.014","90","","115.57","0.008","90","","12219","11","298","2","298","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C44.5 H32 Cl Cr Er2 F24 N2 O17 -","- C44.5 H28.5 Cl Cr Er2 F24 N2 O17 -","- C356 H228 Cl8 Cr8 Er16 F192 N16 O136 -","8","1","","Xu, Hai-Bing; Li, Jia; Zhang, Li-Yi; Huang, Xin; Li, Bing; Chen, Zhong-Ning","Structures and Photophysical Properties of Homo- and Heteronuclear Lanthanide(III) Complexes with Bridging 2-Methyl-8-hydroxylquinoline (HMq) in the μ-Phenol Mode","Crystal Growth & Design","2010","10","9","4101","","10.1021/cg100778w","","","0.71073","MoKα","","0.0923","0.0764","","","0.2076","0.2416","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4501965","12.5796","0.0014","14.45","0.0016","23.372","0.003","75.346","0.004","77.537","0.004","68.735","0.004","3794","0.8","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H74 Ag N29 O19 -","- C56 H66 Ag N29 O19 -","- C112 H132 Ag2 N58 O38 -","2","1","","Zeng, Jin-Ping; Zhang, Shi-Min; Zhang, Yun-Qian; Tao, Zhu; Zhu, Qian-Jiang; Xue, Sai-Feng; Wei, Gang","Use of Silver(I) and Copper(II) Ions to Assist the Self-Assembly of Polyrotaxanes Incorporating Symmetrical α,α′,δ,δ′-Tetramethyl-cucurbit[6]uril","Crystal Growth & Design","2010","10","10","4509","","10.1021/cg1007796","","","0.71073","MoKα","","0.137","0.0811","","","0.2003","0.2334","","","","","","0.958","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501966","15.827","0.003","17.156","0.004","18.372","0.004","83.778","0.004","67.354","0.003","64.708","0.003","4153.2","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H74 Cl2 Cu N28 O16 -","- C56 H66 Cl2 Cu N28 O16 -","- C112 H132 Cl4 Cu2 N56 O32 -","2","1","","Zeng, Jin-Ping; Zhang, Shi-Min; Zhang, Yun-Qian; Tao, Zhu; Zhu, Qian-Jiang; Xue, Sai-Feng; Wei, Gang","Use of Silver(I) and Copper(II) Ions to Assist the Self-Assembly of Polyrotaxanes Incorporating Symmetrical α,α′,δ,δ′-Tetramethyl-cucurbit[6]uril","Crystal Growth & Design","2010","10","10","4509","","10.1021/cg1007796","","","0.71073","MoKα","","0.1362","0.0833","","","0.21","0.2441","","","","","","0.91","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501967","12.6589","0.0009","13.4194","0.001","14.6691","0.0011","66.647","0.002","66.814","0.002","71.314","0.003","2062.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H100 Ag2 N30 O35 -","- C56 H66 Ag2 N30 O35 -","- C56 H66 Ag2 N30 O35 -","1","0.5","","Zeng, Jin-Ping; Zhang, Shi-Min; Zhang, Yun-Qian; Tao, Zhu; Zhu, Qian-Jiang; Xue, Sai-Feng; Wei, Gang","Use of Silver(I) and Copper(II) Ions to Assist the Self-Assembly of Polyrotaxanes Incorporating Symmetrical α,α′,δ,δ′-Tetramethyl-cucurbit[6]uril","Crystal Growth & Design","2010","10","10","4509","","10.1021/cg1007796","","","0.71073","MoKα","","0.0739","0.0613","","","0.1653","0.1748","","","","","","1.083","","","","has coordinates,has disorder","179550","2020-10-21","18:00:00",""
"4501968","29.557","0.003","29.557","0.003","29.557","0.003","90","","90","","90","","25821","5","150","2","150","2","","","","","","","","7","P m -3 n","-P 4n 2 3","223","","","","- C39 H102 N6 Ni3 O92 P2 W18 -","- C39 H42 N6 Ni3 O68 P2 W18 -","- C312 H336 N48 Ni24 O544 P16 W144 -","8","0.166667","","Wang, Xiao-Lan; Li, Yang-Guang; Lu, Ying; Fu, Hai; Su, Zhong-Min; Wang, En-Bo","Polyoxometalate-Based Porous Framework with Perovskite Topology","Crystal Growth & Design","2010","10","10","4227","","10.1021/cg100783w","","","0.71073","MoKα","","0.1028","0.0848","","","0.2146","0.2258","","","","","","1.136","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501969","7.0819","0.0007","7.4369","0.0004","25.476","0.003","90","","92.741","0.005","90","","1340.2","0.2","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O10 -","- C12 H16 O10 -","- C48 H64 O40 -","4","1","","Thuéry, Pierre; Masci, Bernardo","Two- and Three-Dimensional Assemblies Formed by Alkali Metal (Li+−Cs+) and Ba2+Ions with Bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic Acid","Crystal Growth & Design","2010","10","9","4109","","10.1021/cg100785r","","","0.71073","MoKα","","0.0925","0.0542","","","0.1139","0.126","","","","","","1.026","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501970","9.936","0.0003","16.2142","0.001","9.549","0.0005","90","","90","","90","","1538.38","0.13","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H18 Li2 O12 -","- C12 H18 Li2 O12 -","- C48 H72 Li8 O48 -","4","0.5","","Thuéry, Pierre; Masci, Bernardo","Two- and Three-Dimensional Assemblies Formed by Alkali Metal (Li+−Cs+) and Ba2+Ions with Bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic Acid","Crystal Growth & Design","2010","10","9","4109","","10.1021/cg100785r","","","0.71073","MoKα","","0.0502","0.0419","","","0.1121","0.1167","","","","","","1.06","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501971","9.4778","0.0003","17.692","0.0008","9.9538","0.0004","90","","104.419","0.003","90","","1616.49","0.11","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H18 Li4 O13 -","- C12 H18 Li4 O13 -","- C48 H72 Li16 O52 -","4","2","","Thuéry, Pierre; Masci, Bernardo","Two- and Three-Dimensional Assemblies Formed by Alkali Metal (Li+−Cs+) and Ba2+Ions with Bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic Acid","Crystal Growth & Design","2010","10","9","4109","","10.1021/cg100785r","","","0.71073","MoKα","","0.0387","0.0367","","","0.0918","0.0933","","","","","","1.023","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501972","6.2889","0.0005","10.3066","0.0007","13.2245","0.0008","100.866","0.004","99.657","0.004","107.773","0.003","778.02","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H18 Na2 O12 -","- C12 H16 Na2 O12 -","- C24 H32 Na4 O24 -","2","1","","Thuéry, Pierre; Masci, Bernardo","Two- and Three-Dimensional Assemblies Formed by Alkali Metal (Li+−Cs+) and Ba2+Ions with Bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic Acid","Crystal Growth & Design","2010","10","9","4109","","10.1021/cg100785r","","","0.71073","MoKα","","0.0936","0.0773","","","0.206","0.2146","","","","","","1.048","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501973","8.0763","0.0006","9.5108","0.0006","10.4739","0.0009","105.16","0.004","91.515","0.005","94.437","0.004","773.29","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H16 K2 O11 -","- C12 H16 K2 O11 -","- C24 H32 K4 O22 -","2","1","","Thuéry, Pierre; Masci, Bernardo","Two- and Three-Dimensional Assemblies Formed by Alkali Metal (Li+−Cs+) and Ba2+Ions with Bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic Acid","Crystal Growth & Design","2010","10","9","4109","","10.1021/cg100785r","","","0.71073","MoKα","","0.0408","0.0322","","","0.0782","0.0817","","","","","","1.028","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501974","8.2294","0.0003","9.6363","0.0005","9.6873","0.0006","117.415","0.002","94.302","0.004","99.489","0.004","662.54","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H13 O9 Rb -","- C12 H13 O9 Rb -","- C24 H26 O18 Rb2 -","2","1","","Thuéry, Pierre; Masci, Bernardo","Two- and Three-Dimensional Assemblies Formed by Alkali Metal (Li+−Cs+) and Ba2+Ions with Bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic Acid","Crystal Growth & Design","2010","10","9","4109","","10.1021/cg100785r","","","0.71073","MoKα","","0.0255","0.023","","","0.0582","0.0591","","","","","","1.04","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501975","8.1702","0.0003","9.6589","0.0005","9.8979","0.0005","116.718","0.003","94.178","0.004","98.515","0.004","681.36","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H13 Cs O9 -","- C12 H13 Cs O9 -","- C24 H26 Cs2 O18 -","2","1","","Thuéry, Pierre; Masci, Bernardo","Two- and Three-Dimensional Assemblies Formed by Alkali Metal (Li+−Cs+) and Ba2+Ions with Bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic Acid","Crystal Growth & Design","2010","10","9","4109","","10.1021/cg100785r","","","0.71073","MoKα","","0.0232","0.0207","","","0.0517","0.0522","","","","","","1.042","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501976","11.115","0.0004","14.8634","0.0005","11.6445","0.0003","90","","115.168","0.002","90","","1741.12","0.1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H19 Ba2 O13.5 -","- C12 H18 Ba2 O13.5 -","- C48 H72 Ba8 O54 -","4","1","","Thuéry, Pierre; Masci, Bernardo","Two- and Three-Dimensional Assemblies Formed by Alkali Metal (Li+−Cs+) and Ba2+Ions with Bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic Acid","Crystal Growth & Design","2010","10","9","4109","","10.1021/cg100785r","","","0.71073","MoKα","","0.0265","0.0229","","","0.0574","0.0584","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501977","13.518","0.003","20.275","0.004","16.838","0.004","90","","92.831","0.003","90","","4609.3","1.8","298","2","298","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C44 H41 Cl Cu Fe Mn N11 O9 -","- C44 H39 Cl Cu Fe Mn N11 O9 -","- C176 H156 Cl4 Cu4 Fe4 Mn4 N44 O36 -","4","1","","Wang, Hailong; Zhang, Li-Fang; Ni, Zhong-Hai; Zhong, Wei-Feng; Tian, Lai-Jin; Jiang, Jianzhuang","Synthesis, Crystal Structures, and Magnetic Properties of One-Dimensional Mixed Cyanide- and Phenolate-Bridged Heterotrimetallic Complexes","Crystal Growth & Design","2010","10","10","4231","","10.1021/cg100789s","","","0.71069","MoKα","","0.164","0.0832","","","0.2023","0.2345","","","","","","0.975","","","","has coordinates,has disorder","179550","2020-10-21","18:00:00",""
"4501978","13.519","0.0004","20.664","0.0006","16.713","0.0004","90","","92.557","0.002","90","","4664.2","0.2","298","2","298","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C44 H41 Cl Cr Cu Mn N11 O9 -","- C44 H39 Cl0.89 Cr Cu Mn N11 O8.56 -","- C176 H156 Cl3.56 Cr4 Cu4 Mn4 N44 O34.24 -","4","1","","Wang, Hailong; Zhang, Li-Fang; Ni, Zhong-Hai; Zhong, Wei-Feng; Tian, Lai-Jin; Jiang, Jianzhuang","Synthesis, Crystal Structures, and Magnetic Properties of One-Dimensional Mixed Cyanide- and Phenolate-Bridged Heterotrimetallic Complexes","Crystal Growth & Design","2010","10","10","4231","","10.1021/cg100789s","","","0.71069","MoKα","","0.0928","0.0565","","","0.1593","0.1789","","","","","","1.025","","","","has coordinates,has disorder","179550","2020-10-21","18:00:00",""
"4501979","11.094","0.007","7.803","0.003","14.174","0.009","90","","90","","90","","1227","1.2","213","2","213","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H4 F N -","- C7 H4 F N -","- C56 H32 F8 N8 -","8","1","","Vasylyeva, Vera; Merz, Klaus","Fluorobenzonitriles: Influence of the Substitution Pattern on Melting and Crystallization Properties","Crystal Growth & Design","2010","10","10","4250","","10.1021/cg100794s","","","0.71073","MoKα","","0.1116","0.0699","","","0.1657","0.1895","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501980","7.1005","0.0014","13.201","0.003","7.0522","0.0014","90","","115.11","0.03","90","","598.6","0.3","213","2","213","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H12 F4 N4 -","- C28 H12 F4 N4 -","- C28 H12 F4 N4 -","1","0.125","","Vasylyeva, Vera; Merz, Klaus","Fluorobenzonitriles: Influence of the Substitution Pattern on Melting and Crystallization Properties","Crystal Growth & Design","2010","10","10","4250","","10.1021/cg100794s","","","0.71073","MoKα","","0.1021","0.0895","","","0.2397","0.247","","","","","","1.266","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501981","5.0521","0.0002","11.724","0.0003","20.407","0.0009","90","","90","","90","","1208.72","0.08","233","2","233","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C12 H14 O6 -","- C12 H14 O6 -","- C48 H56 O24 -","4","0.5","","Robin, Abel; Iavicoli, Patrizia; Wurst, Klaus; Dyer, Matthew S.; Haq, Sam; Amabilino, David B.; Raval, Rasmita","A Racemic Conglomerate Nipped in the Bud: A Molecular View of Enantiomer Cross-Inhibition of Conglomerate Nucleation at a Surface","Crystal Growth & Design","2010","10","10","4516","","10.1021/cg100806w","","","0.71073","MoKα","","0.0302","0.0284","","","0.07","0.0715","","","","","","1.121","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501982","11.0676","0.0004","20.5981","0.0009","5.1963","0.0002","90","","90","","90","","1184.61","0.08","233","2","233","2","","","","","","","","3","P n n a","-P 2a 2bc","52","","","","- C12 H14 O6 -","- C12 H14 O6 -","- C48 H56 O24 -","4","0.5","","Robin, Abel; Iavicoli, Patrizia; Wurst, Klaus; Dyer, Matthew S.; Haq, Sam; Amabilino, David B.; Raval, Rasmita","A Racemic Conglomerate Nipped in the Bud: A Molecular View of Enantiomer Cross-Inhibition of Conglomerate Nucleation at a Surface","Crystal Growth & Design","2010","10","10","4516","","10.1021/cg100806w","","","0.71073","MoKα","","0.0325","0.0286","","","0.0736","0.077","","","","","","1.046","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501983","18.4905","0.0017","18.4905","0.0017","61.775","0.008","90","","90","","90","","21121","4","173","2","173","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C54 H44 Co2 N9 O13 -","- C54 H44 Co2 N9 O13 -","- C864 H704 Co32 N144 O208 -","16","0.5","","Hu, Jin-Song; Shang, Yong-Jia; Yao, Xiao-Qiang; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen; Xue, Zi-Ling","Syntheses, Structures, and Photochemical Properties of Six New Metal−Organic Frameworks Based on Aromatic Dicarboxylate Acids and V-Shaped Imidazole Ligands","Crystal Growth & Design","2010","10","9","4135","","10.1021/cg1008208","","","0.71073","MoKα","","0.1116","0.0775","","","0.1767","0.1942","","","","","","1.102","","","","has coordinates,has disorder","179550","2020-10-21","18:00:00",""
"4501984","18.903","0.003","18.903","0.003","62.293","0.009","90","","90","","90","","22259","6","273","2","273","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C110 H97 Cd4 N18 O28 -","- C110 H98 Cd4 N18 O28 -","- C880 H784 Cd32 N144 O224 -","8","0.25","","Hu, Jin-Song; Shang, Yong-Jia; Yao, Xiao-Qiang; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen; Xue, Zi-Ling","Syntheses, Structures, and Photochemical Properties of Six New Metal−Organic Frameworks Based on Aromatic Dicarboxylate Acids and V-Shaped Imidazole Ligands","Crystal Growth & Design","2010","10","9","4135","","10.1021/cg1008208","","","0.71073","MoKα","","0.0769","0.0619","","","0.1693","0.1815","","","","","","1.008","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501985","18.3863","0.0017","18.3863","0.0017","61.935","0.012","90","","90","","90","","20938","5","173","2","173","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C54 H44 N9 O13 Zn2 -","- C54 H44 N9 O13 Zn2 -","- C864 H704 N144 O208 Zn32 -","16","0.5","","Hu, Jin-Song; Shang, Yong-Jia; Yao, Xiao-Qiang; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen; Xue, Zi-Ling","Syntheses, Structures, and Photochemical Properties of Six New Metal−Organic Frameworks Based on Aromatic Dicarboxylate Acids and V-Shaped Imidazole Ligands","Crystal Growth & Design","2010","10","9","4135","","10.1021/cg1008208","","","0.71073","MoKα","","0.1271","0.0635","","","0.1588","0.1815","","","","","","1.009","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501986","9.961","0.002","17.75","0.004","15.444","0.004","90","","92.662","0.005","90","","2727.7","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H40 Cd3 N8 O14 -","- C60 H40 Cd3 N8 O14 -","- C120 H80 Cd6 N16 O28 -","2","0.5","","Hu, Jin-Song; Shang, Yong-Jia; Yao, Xiao-Qiang; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen; Xue, Zi-Ling","Syntheses, Structures, and Photochemical Properties of Six New Metal−Organic Frameworks Based on Aromatic Dicarboxylate Acids and V-Shaped Imidazole Ligands","Crystal Growth & Design","2010","10","9","4135","","10.1021/cg1008208","","","0.71073","MoKα","","0.0597","0.0477","","","0.1304","0.1346","","","","","","1.084","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501987","6.3784","0.0009","17.552","0.003","22.179","0.003","90","","93.715","0.003","90","","2477.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N4 Ni O7 -","- C26 H22 N4 Ni O7 -","- C104 H88 N16 Ni4 O28 -","4","1","","Hu, Jin-Song; Shang, Yong-Jia; Yao, Xiao-Qiang; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen; Xue, Zi-Ling","Syntheses, Structures, and Photochemical Properties of Six New Metal−Organic Frameworks Based on Aromatic Dicarboxylate Acids and V-Shaped Imidazole Ligands","Crystal Growth & Design","2010","10","9","4135","","10.1021/cg1008208","","","0.71073","MoKα","","0.0961","0.0518","","","0.0823","0.0929","","","","","","0.85","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501988","12.117","0.0016","18.247","0.002","21.183","0.003","90","","97.541","0.003","90","","4643","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Mn N4 O6 -","- C26 H20 Mn N4 O6 -","- C208 H160 Mn8 N32 O48 -","8","2","","Hu, Jin-Song; Shang, Yong-Jia; Yao, Xiao-Qiang; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen; Xue, Zi-Ling","Syntheses, Structures, and Photochemical Properties of Six New Metal−Organic Frameworks Based on Aromatic Dicarboxylate Acids and V-Shaped Imidazole Ligands","Crystal Growth & Design","2010","10","9","4135","","10.1021/cg1008208","","","0.71073","MoKα","","0.0981","0.0566","","","0.0883","0.0979","","","","","","0.952","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501989","18.725","0.0011","6.512","0.0007","6.421","0.0005","90","","90.834","0.006","90","","782.88","0.11","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Urea:succinic acid cocrystal","Urea:succinic acid cocrystal","","- C5 H10 N2 O5 -","- C5 H10 N2 O5 -","- C20 H40 N8 O20 -","4","0.5","","Alhalaweh, Amjad; George, Sumod; Boström, Dan; Velaga, Sitaram P.","1:1 and 2:1 Urea−Succinic Acid Cocrystals: Structural Diversity, Solution Chemistry, and Thermodynamic Stability","Crystal Growth & Design","2010","10","11","4847","","10.1021/cg100823p","","","0.71073","MoKα","","0.053","0.0523","","","0.1768","0.1772","","","","","","1.245","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501990","14.698","0.005","23.631","0.009","22.401","0.007","90","","99.114","0.012","90","","7682","5","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H88 N2 Ni2 O12 S20 -","- C58 H82 N2 Ni2 O12 S20 -","- C232 H328 N8 Ni8 O48 S80 -","4","1","","Ye, Qiong; Akutagawa, Tomoyuki; Noro, Shin-ichiro; Nakamura, Takayoshi; Xiong, Ren-Gen","Polymorphism and Magnetism of (cis-Cyclohexane-1,4-diammonium)(Dicyclohexano[18]crown-6)2[Ni(dmit)2]2Salts","Crystal Growth & Design","2010","10","11","4856","","10.1021/cg100826c","","","0.71075","MoKα","","","0.0737","","","","0.1486","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501991","12.4995","0.0004","13.8659","0.0004","24.1563","0.0007","78.6284","0.0007","75.5395","0.001","74.4881","0.001","3868.1","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H88 N2 Ni2 O12 S20 -","- C58 H80 N2 Ni2 O12 S20 -","- C116 H160 N4 Ni4 O24 S40 -","2","1","","Ye, Qiong; Akutagawa, Tomoyuki; Noro, Shin-ichiro; Nakamura, Takayoshi; Xiong, Ren-Gen","Polymorphism and Magnetism of (cis-Cyclohexane-1,4-diammonium)(Dicyclohexano[18]crown-6)2[Ni(dmit)2]2Salts","Crystal Growth & Design","2010","10","11","4856","","10.1021/cg100826c","","","0.71075","MoKα","","","0.0597","","","","0.1037","","","","","","0.729","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501992","9.8777","0.0003","12.9265","0.0004","20.7204","0.0006","106.506","0.001","99.693","0.002","93.004","0.001","2486.32","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H54 N4 O23 S4 -","- C48 H54 N4 O23 S4 -","- C96 H108 N8 O46 S8 -","2","1","","Danylyuk, Oksana; Leśniewska, Barbara; Suwinska, Kinga; Matoussi, Nabila; Coleman, Anthony W.","Structural Diversity in the Crystalline Complexes ofpara-Sulfonato-calix[4]arene with Bipyridinium Derivatives","Crystal Growth & Design","2010","10","10","4542","","10.1021/cg100831c","","","0.71073","MoKα","","0.0529","0.0411","","","0.0839","0.0882","","","","","","1.036","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501993","21.361","0.001","18.186","0.001","28.865","0.003","90","","91.363","0.004","90","","11210","1.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C98 H114 N8 O51.31 S8 -","- C98 H114 N8 O51.308 S8 -","- C392 H456 N32 O205.232 S32 -","4","0.5","","Danylyuk, Oksana; Leśniewska, Barbara; Suwinska, Kinga; Matoussi, Nabila; Coleman, Anthony W.","Structural Diversity in the Crystalline Complexes ofpara-Sulfonato-calix[4]arene with Bipyridinium Derivatives","Crystal Growth & Design","2010","10","10","4542","","10.1021/cg100831c","","","0.71073","MoKα","","0.0641","0.0525","","","0.1311","0.1391","","","","","","0.921","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4501994","21.5239","0.0004","18.0942","0.0006","28.9528","0.0008","90","","91.716","0.002","90","","11270.8","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C100 H122.2 N8 O51.35 S8 -","- C100 H122.2 N8 O51.35 S8 -","- C400 H488.8 N32 O205.4 S32 -","4","0.5","","Danylyuk, Oksana; Leśniewska, Barbara; Suwinska, Kinga; Matoussi, Nabila; Coleman, Anthony W.","Structural Diversity in the Crystalline Complexes ofpara-Sulfonato-calix[4]arene with Bipyridinium Derivatives","Crystal Growth & Design","2010","10","10","4542","","10.1021/cg100831c","","","0.71073","MoKα","","0.1041","0.0806","","","0.1744","0.1859","","","","","","1.083","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4501995","16.8539","0.0003","19.4252","0.0004","46.02","0.001","90","","90","","90","","15066.5","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C71 H61 N8 O29.47 S4 -","- C71 H61 N8 O29.467 S4 -","- C568 H488 N64 O235.736 S32 -","8","1","","Danylyuk, Oksana; Leśniewska, Barbara; Suwinska, Kinga; Matoussi, Nabila; Coleman, Anthony W.","Structural Diversity in the Crystalline Complexes ofpara-Sulfonato-calix[4]arene with Bipyridinium Derivatives","Crystal Growth & Design","2010","10","10","4542","","10.1021/cg100831c","","","0.71073","MoKα","","0.1455","0.0987","","","0.199","0.2138","","","","","","1.114","","","","has coordinates,has disorder","179550","2020-10-21","18:00:00",""
"4501996","11.5852","0.0003","12.3474","0.0003","17.3879","0.0003","102.754","0.0006","95.0592","0.0007","93.755","0.001","2407.21","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H97 Al N5 O46 S8 -","- C88 H97 Al N5 O46 S8 -","- C88 H97 Al N5 O46 S8 -","1","0.5","","Danylyuk, Oksana; Leśniewska, Barbara; Suwinska, Kinga; Matoussi, Nabila; Coleman, Anthony W.","Structural Diversity in the Crystalline Complexes ofpara-Sulfonato-calix[4]arene with Bipyridinium Derivatives","Crystal Growth & Design","2010","10","10","4542","","10.1021/cg100831c","","","0.71073","MoKα","","0.0425","0.0386","","","0.0938","0.0963","","","","","","1.021","","","","has coordinates,has disorder","179550","2020-10-21","18:00:00",""
"4501997","12.299","0.0002","20.1641","0.0006","21.9327","0.0006","67.339","0.001","82.253","0.001","76.335","0.001","4871.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C178.24 H199.08 Al2 N10.08 O93.26 S16 -","- C178.24 H199.076 Al2 N10.08 O93.256 S16 -","- C178.24 H199.076 Al2 N10.08 O93.256 S16 -","1","0.5","","Danylyuk, Oksana; Leśniewska, Barbara; Suwinska, Kinga; Matoussi, Nabila; Coleman, Anthony W.","Structural Diversity in the Crystalline Complexes ofpara-Sulfonato-calix[4]arene with Bipyridinium Derivatives","Crystal Growth & Design","2010","10","10","4542","","10.1021/cg100831c","","","0.71073","MoKα","","0.1281","0.0777","","","0.1601","0.1805","","","","","","1.033","","","","has coordinates,has disorder","179550","2020-10-21","18:00:00",""
"4501998","17.5697","0.0004","17.2493","0.0004","18.6606","0.0003","90","","92.368","0.001","90","","5650.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H64 N4 O20 S4 -","- C57 H64 N4 O20 S4 -","- C228 H256 N16 O80 S16 -","4","1","","Danylyuk, Oksana; Leśniewska, Barbara; Suwinska, Kinga; Matoussi, Nabila; Coleman, Anthony W.","Structural Diversity in the Crystalline Complexes ofpara-Sulfonato-calix[4]arene with Bipyridinium Derivatives","Crystal Growth & Design","2010","10","10","4542","","10.1021/cg100831c","","","0.71073","MoKα","","0.0631","0.0488","","","0.1149","0.1219","","","","","","1.028","","","","has coordinates,has disorder","179550","2020-10-21","18:00:00",""
"4501999","17.2796","0.0005","17.425","0.0005","18.7121","0.0004","90","","93.019","0.002","90","","5626.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H62 N4 O20 S4 -","- C56 H62 N4 O20 S4 -","- C224 H248 N16 O80 S16 -","4","1","","Danylyuk, Oksana; Leśniewska, Barbara; Suwinska, Kinga; Matoussi, Nabila; Coleman, Anthony W.","Structural Diversity in the Crystalline Complexes ofpara-Sulfonato-calix[4]arene with Bipyridinium Derivatives","Crystal Growth & Design","2010","10","10","4542","","10.1021/cg100831c","","","0.71073","MoKα","","0.1335","0.1078","","","0.1734","0.1874","","","","","","1.126","","","","has coordinates,has disorder","179550","2020-10-21","18:00:00",""
"4502000","18.5386","0.0002","18.6236","0.0007","27.2733","0.0006","92.986","0.002","107.871","0.0007","107.624","0.003","8431.4","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C164 H218 Gd8 N24 Na16 O121 -","- C164 H179 Gd8 N24 Na16 O121 -","- C164 H179 Gd8 N24 Na16 O121 -","1","0.5","","Gunanathan, Chidambaram; Diskin-Posner, Yael; Milstein, David","Lanthanide−Organic Framework of a Rigid Bis-Gd Complex: Composed by Carbonate Ions Spacers","Crystal Growth & Design","2010","10","10","4235","","10.1021/cg100843k","","","0.71073","MoKα","","0.1064","0.0898","","","0.2559","0.2672","","","","","","1.108","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4502001","9.485","0.005","13.752","0.008","9.822","0.006","90","","90.881","0.01","90","","1281","1.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 F N O2 S -","- C13 H12 F N O2 S -","- C52 H48 F4 N4 O8 S4 -","4","1","","Sanphui, Palash; Sarma, Bipul; Nangia, Ashwini","Polymorphism in Secondary Benzene Sulfonamides","Crystal Growth & Design","2010","10","10","4550","","10.1021/cg100845f","","","0.71073","MoKα","","0.0574","0.0455","","","0.1122","0.1195","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502002","7.5728","0.001","8.0887","0.001","12.3471","0.0015","87.566","0.003","78.346","0.002","70.194","0.002","696.63","0.15","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Ag N3 O3 S -","- C12 H12 Ag N3 O3 S -","- C24 H24 Ag2 N6 O6 S2 -","2","1","","Park, Ki-Min; Seo, Joobeom; Moon, Suk-Hee; Lee, Shim Sung","Stepwise Synthesis of Charged and Neutral Two-Dimensional Networks via One-Dimensional Silver(I) Coordination Polymer Based on Bis(4-pyridylmethyl)sulfide","Crystal Growth & Design","2010","10","9","4148","","10.1021/cg1008472","","","0.71073","MoKα","","0.0484","0.0386","","","0.0957","0.1033","","","","","","1.055","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502003","8.1239","0.0005","13.3351","0.0008","13.427","0.0008","89.904","0.001","82.501","0.001","87.382","0.001","1440.63","0.15","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H24 Ag2 Cl2 N4 O8 S2 -","- C24 H24 Ag2 Cl2 N4 O8 S2 -","- C48 H48 Ag4 Cl4 N8 O16 S4 -","2","1","","Park, Ki-Min; Seo, Joobeom; Moon, Suk-Hee; Lee, Shim Sung","Stepwise Synthesis of Charged and Neutral Two-Dimensional Networks via One-Dimensional Silver(I) Coordination Polymer Based on Bis(4-pyridylmethyl)sulfide","Crystal Growth & Design","2010","10","9","4148","","10.1021/cg1008472","","","0.71073","MoKα","","0.0276","0.0232","","","0.0563","0.0587","","","","","","1.046","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502004","10.2624","0.0011","10.335","0.0011","10.9124","0.0012","77.773","0.002","75.062","0.002","81.616","0.002","1087.8","0.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H38 Ag2 Cl2 N6 O8 S2 -","- C40 H38 Ag2 Cl2 N6 O8 S2 -","- C40 H38 Ag2 Cl2 N6 O8 S2 -","1","0.5","","Park, Ki-Min; Seo, Joobeom; Moon, Suk-Hee; Lee, Shim Sung","Stepwise Synthesis of Charged and Neutral Two-Dimensional Networks via One-Dimensional Silver(I) Coordination Polymer Based on Bis(4-pyridylmethyl)sulfide","Crystal Growth & Design","2010","10","9","4148","","10.1021/cg1008472","","","0.71073","MoKα","","0.1026","0.0516","","","0.1257","0.1708","","","","","","1.05","","","","has coordinates,has disorder","179551","2020-10-21","18:00:00",""
"4502005","7.6202","0.0014","12.079","0.002","13.207","0.002","73.25","0.003","85.746","0.004","74.538","0.004","1121.9","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H52 Ag2 N4 O12 S4 -","- C36 H52 Ag2 N4 O12 S4 -","- C36 H52 Ag2 N4 O12 S4 -","1","0.5","","Park, Ki-Min; Seo, Joobeom; Moon, Suk-Hee; Lee, Shim Sung","Stepwise Synthesis of Charged and Neutral Two-Dimensional Networks via One-Dimensional Silver(I) Coordination Polymer Based on Bis(4-pyridylmethyl)sulfide","Crystal Growth & Design","2010","10","9","4148","","10.1021/cg1008472","","","0.71073","MoKα","","0.1091","0.0506","","","0.0973","0.1327","","","","","","1.011","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502006","10.031","0.002","10.146","0.002","11.316","0.002","100.63","0.03","100.92","0.03","109.63","0.03","1026.1","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H16 O2 S -","- C28 H16 O2 S -","- C56 H32 O4 S2 -","2","1","","Wang, Chengliang; Dong, Huanli; Li, Hongxiang; Zhao, Huaping; Meng, Qing; Hu, Wenping","Dibenzothiophene Derivatives: From Herringbone to Lamellar Packing Motif","Crystal Growth & Design","2010","10","9","4155","","10.1021/cg100863q","","","0.71073","MoKα","","0.066","0.0505","","","0.1084","0.114","","","","","","1.16","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502007","10.043","0.002","13.844","0.003","7.0241","0.0014","90","","91.34","0.03","90","","976.3","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 O2 S -","- C12 H8 O2 S -","- C48 H32 O8 S4 -","4","0.5","","Wang, Chengliang; Dong, Huanli; Li, Hongxiang; Zhao, Huaping; Meng, Qing; Hu, Wenping","Dibenzothiophene Derivatives: From Herringbone to Lamellar Packing Motif","Crystal Growth & Design","2010","10","9","4155","","10.1021/cg100863q","","","0.71073","MoKα","","0.0984","0.0822","","","0.1874","0.1978","","","","","","1.068","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502008","33.472","0.002","33.472","","12.6911","0.0008","90","","90","","120","","12313.8","1.1","296","2","296","2","","","","","","","","9","P -3","-P 3","147","","","","- C168 H437 Cu20 Mo48 N84 Na O266 P6 V36 -","- C168 H372 Cu20 Mo48 N84 Na O266 P6 V36 -","- C168 H372 Cu20 Mo48 N84 Na O266 P6 V36 -","1","0.166667","","Niu, Jingyang; Chen, Guo; Zhao, Junwei; Yu, Chunfa; Ma, Pengtao; Wang, Jingping","A Novel Ring-Shaped Phosphovanadomolybdate Built by Bicapped Pseudo-Keggin Clusters and Copper(II) Complexes","Crystal Growth & Design","2010","10","11","4689","","10.1021/cg100864m","","","0.71073","MoKα","","0.1517","0.0891","","","0.2062","0.2441","","","","","","1.019","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502009","6.8147","0.001","10.3938","0.0015","14.487","0.002","106.352","0.002","97.049","0.002","107.237","0.002","916.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","‘Cadmium-Sulfate’","","","- C12 H34 Cd3 N24 O20 S4 -","- C12 H34 Cd3 N24 O20 S4 -","- C12 H34 Cd3 N24 O20 S4 -","1","0.5","","Paul, Avijit Kumar; Sanyal, Udishnu; Natarajan, Srinivasan","Use of Polyazaheterocycles in the Assembly of New Cadmium Sulfate Frameworks: Synthesis, Structure, and Properties","Crystal Growth & Design","2010","10","9","4161","","10.1021/cg100865v","","","0.71073","MoKα","","0.0516","0.0368","","","0.0721","0.0763","","","","","","1.058","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502010","6.701","0.0013","11.86","0.002","11.19","0.002","90","","103.73","0.03","90","","863.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","‘Cadmium-Sulfate’","","","- C5 H5 Cd N5 O4 S -","- C5 H5 Cd N5 O4 S -","- C20 H20 Cd4 N20 O16 S4 -","4","1","","Paul, Avijit Kumar; Sanyal, Udishnu; Natarajan, Srinivasan","Use of Polyazaheterocycles in the Assembly of New Cadmium Sulfate Frameworks: Synthesis, Structure, and Properties","Crystal Growth & Design","2010","10","9","4161","","10.1021/cg100865v","","","0.71073","MoKα","","0.0297","0.0244","","","0.0557","0.0575","","","","","","1.085","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502011","9.8131","0.0004","6.4065","0.0003","12.9635","0.0006","90","","110.819","0.002","90","","761.77","0.06","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","‘Cadmium-Sulfate’","","","- C4 H8 Cd3 N6 O10 S2 -","- C4 H8 Cd3 N6 O10 S2 -","- C8 H16 Cd6 N12 O20 S4 -","2","0.5","","Paul, Avijit Kumar; Sanyal, Udishnu; Natarajan, Srinivasan","Use of Polyazaheterocycles in the Assembly of New Cadmium Sulfate Frameworks: Synthesis, Structure, and Properties","Crystal Growth & Design","2010","10","9","4161","","10.1021/cg100865v","","","0.71073","MoKα","","0.0205","0.0189","","","0.0457","0.0465","","","","","","1.066","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502012","6.6588","0.0001","9.2325","0.0002","9.7163","0.0002","65.843","0.001","73.302","0.001","71.083","0.001","507.242","0.018","293","2","293","2","","","","","","","","6","P -1","-P 1","2","‘Cadmium-Sulfate’","","","- C2 H5 Cd2 N5 O8 S2 -","- C2 H5 Cd2 N5 O8 S2 -","- C4 H10 Cd4 N10 O16 S4 -","2","1","","Paul, Avijit Kumar; Sanyal, Udishnu; Natarajan, Srinivasan","Use of Polyazaheterocycles in the Assembly of New Cadmium Sulfate Frameworks: Synthesis, Structure, and Properties","Crystal Growth & Design","2010","10","9","4161","","10.1021/cg100865v","","","0.71073","MoKα","","0.0184","0.0171","","","0.0423","0.0429","","","","","","1.077","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502013","8.8562","0.0006","9.5734","0.0007","13.3383","0.0009","90","","102.914","0.001","90","","1102.27","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","‘Cadmium-Sulfate’","","","- C4 H10 Cd5 N20 O10 S2 -","- C4 H8 Cd5 N20 O10 S2 -","- C8 H16 Cd10 N40 O20 S4 -","2","0.5","","Paul, Avijit Kumar; Sanyal, Udishnu; Natarajan, Srinivasan","Use of Polyazaheterocycles in the Assembly of New Cadmium Sulfate Frameworks: Synthesis, Structure, and Properties","Crystal Growth & Design","2010","10","9","4161","","10.1021/cg100865v","","","0.71073","MoKα","","0.0297","0.0268","","","0.0661","0.0671","","","","","","1.115","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502014","9.6227","0.0003","16.7625","0.0005","7.1301","0.0002","90","","90","","90","","1150.09","0.06","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","‘Cadmium-Sulfate’","","","- C2 H10 Cd2 N4 O8 S -","- C2 H4 Cd2 N4 O8 S -","- C8 H16 Cd8 N16 O32 S4 -","4","1","","Paul, Avijit Kumar; Sanyal, Udishnu; Natarajan, Srinivasan","Use of Polyazaheterocycles in the Assembly of New Cadmium Sulfate Frameworks: Synthesis, Structure, and Properties","Crystal Growth & Design","2010","10","9","4161","","10.1021/cg100865v","","","0.71073","MoKα","","0.0395","0.028","","","0.0597","0.0622","","","","","","1.046","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502015","7.713","0.0009","13.9995","0.0016","11.6256","0.0014","90","","93.365","0.002","90","","1253.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 Co N O5 -","- C14 H9 Co N O5 -","- C56 H36 Co4 N4 O20 -","4","1","","Qin, Ling; Hu, Jin-Song; Huang, Liang-Fang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, Characterizations, and Properties of Six Metal−Organic Complexes Based on Flexible Ligand 5-(4-Pyridyl)-methoxyl Isophthalic Acid","Crystal Growth & Design","2010","10","9","4176","","10.1021/cg100870v","","","0.71073","MoKα","","0.036","0.0344","","","0.0965","0.098","","","","","","1.053","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502016","35.192","0.003","13.1317","0.0013","13.3261","0.0013","90","","110.793","0.002","90","","5757.3","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N2 Ni2 O13 -","- C28 H24 N2 Ni2 O13 -","- C224 H192 N16 Ni16 O104 -","8","1","","Qin, Ling; Hu, Jin-Song; Huang, Liang-Fang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, Characterizations, and Properties of Six Metal−Organic Complexes Based on Flexible Ligand 5-(4-Pyridyl)-methoxyl Isophthalic Acid","Crystal Growth & Design","2010","10","9","4176","","10.1021/cg100870v","","","0.71073","MoKα","","0.0565","0.0461","","","0.113","0.1178","","","","","","1.053","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502017","15.682","0.002","15.554","0.002","16.5","0.002","90","","106.974","0.002","90","","3849.3","0.8","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H16 Co N3 O5 -","- C21.002 H16 Co N3 O5 -","- C168.016 H128 Co8 N24 O40 -","8","1","","Qin, Ling; Hu, Jin-Song; Huang, Liang-Fang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, Characterizations, and Properties of Six Metal−Organic Complexes Based on Flexible Ligand 5-(4-Pyridyl)-methoxyl Isophthalic Acid","Crystal Growth & Design","2010","10","9","4176","","10.1021/cg100870v","","","0.71073","MoKα","","0.0706","0.0479","","","0.0972","0.1003","","","","","","1.079","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4502018","15.8151","0.0019","15.5794","0.0019","16.745","0.002","90","","108.202","0.002","90","","3919.3","0.8","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H16 Mn N3 O5 -","- C21 H16 Mn N3 O5 -","- C168 H128 Mn8 N24 O40 -","8","1","","Qin, Ling; Hu, Jin-Song; Huang, Liang-Fang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, Characterizations, and Properties of Six Metal−Organic Complexes Based on Flexible Ligand 5-(4-Pyridyl)-methoxyl Isophthalic Acid","Crystal Growth & Design","2010","10","9","4176","","10.1021/cg100870v","","","0.71073","MoKα","","0.0845","0.0544","","","0.1109","0.1187","","","","","","0.934","","","","has coordinates,has disorder","179551","2020-10-21","18:00:00",""
"4502019","15.564","0.003","15.55","0.003","16.359","0.003","90","","106.917","0.004","90","","3787.9","1.2","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H16 N3 Ni O5 -","- C21 H16 N3 Ni O5 -","- C168 H128 N24 Ni8 O40 -","8","1","","Qin, Ling; Hu, Jin-Song; Huang, Liang-Fang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, Characterizations, and Properties of Six Metal−Organic Complexes Based on Flexible Ligand 5-(4-Pyridyl)-methoxyl Isophthalic Acid","Crystal Growth & Design","2010","10","9","4176","","10.1021/cg100870v","","","0.71073","MoKα","","0.0862","0.0601","","","0.1253","0.1333","","","","","","1.05","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4502020","10.0539","0.0013","13.3653","0.0017","18.131","0.002","99.365","0.002","90.751","0.003","102.923","0.002","2339.9","0.5","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H44 Co2 N6 O14 -","- C48 H44 Co2 N6 O14 -","- C96 H88 Co4 N12 O28 -","2","1","","Qin, Ling; Hu, Jin-Song; Huang, Liang-Fang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, Characterizations, and Properties of Six Metal−Organic Complexes Based on Flexible Ligand 5-(4-Pyridyl)-methoxyl Isophthalic Acid","Crystal Growth & Design","2010","10","9","4176","","10.1021/cg100870v","","","0.71073","MoKα","","0.0986","0.0583","","","0.0992","0.1045","","","","","","1.061","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502021","12.9161","0.0002","23.294","0.0004","14.1869","0.0002","90","","94.2482","0.0014","90","","4256.65","0.12","173","2","173","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C16 H14.5 Cd N0.5 O5.5 Si0.5 -","- C14 H8 Cd O5 Si0.5 -","- C112 H64 Cd8 O40 Si4 -","8","1","","Davies, Robert P.; Less, Rob; Lickiss, Paul D.; Robertson, Karen; White, Andrew J. P.","Structural Diversity in Metal−Organic Frameworks Built from Rigid Tetrahedral [Si(p-C6H4CO2)4]4−Struts","Crystal Growth & Design","2010","10","10","4571","","10.1021/cg1008768","","","0.71073","MoKα","","0.0474","0.0375","","","0.1302","0.1407","","","","","","1.21","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502022","13.0355","0.0018","22.908","0.004","13.882","0.004","90","","93.07","0.019","90","","4139.5","1.5","173","2","173","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C19 H21.25 Mn N1.25 O6.25 Si0.5 -","- C14 H10 Mn O5 Si0.5 -","- C112 H80 Mn8 O40 Si4 -","8","1","","Davies, Robert P.; Less, Rob; Lickiss, Paul D.; Robertson, Karen; White, Andrew J. P.","Structural Diversity in Metal−Organic Frameworks Built from Rigid Tetrahedral [Si(p-C6H4CO2)4]4−Struts","Crystal Growth & Design","2010","10","10","4571","","10.1021/cg1008768","","","1.54248","CuKα","","0.0338","0.0294","","","0.0863","0.0895","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502023","12.371","0.0012","12.371","0.0012","24.0689","0.001","90","","90","","90","","3683.5","0.5","173","2","173","2","","","","","","","","6","P 42/m m c","-P 4c 2","131","","","","- C9.5 H16 Cu0.25 N1.5 O2.75 Si0.125 -","- C3.5 H2 Cu0.25 O1.25 Si0.125 -","- C56 H32 Cu4 O20 Si2 -","16","1","","Davies, Robert P.; Less, Rob; Lickiss, Paul D.; Robertson, Karen; White, Andrew J. P.","Structural Diversity in Metal−Organic Frameworks Built from Rigid Tetrahedral [Si(p-C6H4CO2)4]4−Struts","Crystal Growth & Design","2010","10","10","4571","","10.1021/cg1008768","","","1.54184","CuKα","","0.2156","0.1879","","","0.4202","0.4358","","","","","","1.393","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502024","15.62062","0.0001","27.71138","0.00015","22.84956","0.00014","90","","90","","90","","9890.86","0.1","173","2","173","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C46 H70 Cd1.5 N5 O17 Si -","- C28 H16 Cd1.5 O9 Si -","- C224 H128 Cd12 O72 Si8 -","8","1","","Davies, Robert P.; Less, Rob; Lickiss, Paul D.; Robertson, Karen; White, Andrew J. P.","Structural Diversity in Metal−Organic Frameworks Built from Rigid Tetrahedral [Si(p-C6H4CO2)4]4−Struts","Crystal Growth & Design","2010","10","10","4571","","10.1021/cg1008768","","","1.54184","CuKα","","0.0471","0.04","","","0.0757","0.0776","","","","","","0.966","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4502025","25.205","0.005","13.701","0.004","25.803","0.009","90","","114.49","0.03","90","","8109","4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H45 N4 O11 Si Zn1.5 -","- C28 H16 O8 Si Zn1.5 -","- C224 H128 O64 Si8 Zn12 -","8","1","","Davies, Robert P.; Less, Rob; Lickiss, Paul D.; Robertson, Karen; White, Andrew J. P.","Structural Diversity in Metal−Organic Frameworks Built from Rigid Tetrahedral [Si(p-C6H4CO2)4]4−Struts","Crystal Growth & Design","2010","10","10","4571","","10.1021/cg1008768","","","1.54248","CuKα","","0.0793","0.0719","","","0.2337","0.2389","","","","","","1.099","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4502026","14.1529","0.0004","23.406","0.0006","23.8325","0.0006","90","","90","","90","","7894.8","0.4","173","2","173","2","","","","","","","","6","P n n n :2","-P 2ab 2bc","48","","","","- C34.5 H34.5 N2.5 O9.5 Si Zn1.5 -","- C28 H16 O8 Si Zn1.5 -","- C224 H128 O64 Si8 Zn12 -","8","1","","Davies, Robert P.; Less, Rob; Lickiss, Paul D.; Robertson, Karen; White, Andrew J. P.","Structural Diversity in Metal−Organic Frameworks Built from Rigid Tetrahedral [Si(p-C6H4CO2)4]4−Struts","Crystal Growth & Design","2010","10","10","4571","","10.1021/cg1008768","","","0.71073","MoKα","","0.2155","0.0555","","","0.1445","0.1621","","","","","","0.674","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4502027","8.794","0.003","8.917","0.003","25.524","0.009","90","","94.23","0.02","90","","1996","1.2","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 O2 -","- C10 H18 O2 -","- C80 H144 O16 -","8","2","","Chan, Isa Y. H.; Nguyen, Vi T.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","The Design of “Awkward” Molecules Expected to Yield Multiple Crystal Forms30†","Crystal Growth & Design","2010","10","10","4582","","10.1021/cg100883s","","x-ray","0.71073","MoKα","","","0.082","","","","0.077","","","","","","1.25","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502028","9.161","0.002","9.161","0.002","23.388","0.007","90","","90","","90","","1962.8","0.8","294","","","","","","","","","","","3","P 41","P 4w","76","","","","- C10 H18 O2 -","- C10 H19 O2 -","- C80 H152 O16 -","8","2","","Chan, Isa Y. H.; Nguyen, Vi T.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","The Design of “Awkward” Molecules Expected to Yield Multiple Crystal Forms30†","Crystal Growth & Design","2010","10","10","4582","","10.1021/cg100883s","","x-ray","0.71073","MoKα","","","0.062","","","","0.071","","","","","","1.26","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502029","10.219","0.004","6.155","0.001","16.422","0.005","90","","102.1","0.01","90","","1010","0.5","294","","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C10 H19 O2.5 -","- C10 H19 O2.5 -","- C40 H76 O10 -","4","1","","Chan, Isa Y. H.; Nguyen, Vi T.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","The Design of “Awkward” Molecules Expected to Yield Multiple Crystal Forms30†","Crystal Growth & Design","2010","10","10","4582","","10.1021/cg100883s","","x-ray","0.71073","MoKα","","","0.048","","","","0.054","","","","","","1.42","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502030","8.997","0.004","15.416","0.005","9.007","0.003","90","","102.86","0.02","90","","1217.9","0.8","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H21 O2 -","- C13 H21 O2 -","- C52 H84 O8 -","4","1","","Chan, Isa Y. H.; Nguyen, Vi T.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","The Design of “Awkward” Molecules Expected to Yield Multiple Crystal Forms30†","Crystal Growth & Design","2010","10","10","4582","","10.1021/cg100883s","","x-ray","0.71073","MoKα","","","0.055","","","","0.055","","","","","","1.18","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502031","6.1656","0.0001","11.3559","0.0002","15.7414","0.0003","90","","90.297","0.001","90","","1102.13","0.03","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 O3 -","- C10 H20 O3 -","- C40 H80 O12 -","4","1","","Chan, Isa Y. H.; Nguyen, Vi T.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","The Design of “Awkward” Molecules Expected to Yield Multiple Crystal Forms30†","Crystal Growth & Design","2010","10","10","4582","","10.1021/cg100883s","","x-ray","0.71073","MoKα","","","0.046","","","","0.057","","","","","","1.06","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502032","11.2602","0.0018","13.0082","0.0017","13.297","0.002","63.005","0.015","65.037","0.017","74.537","0.013","1566.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 Br3 N3 O8 -","- C30 H27 Br2.5 N3 O8 -","- C60 H54 Br5 N6 O16 -","2","1","","Kong, Guo-Qiang; Wu, Chuan-De","Four Novel Coordination Polymers Based on a Flexible Zwitterionic Ligand and Their Framework Dependent Luminescent Properties","Crystal Growth & Design","2010","10","10","4590","","10.1021/cg100885e","","","1.54178","CuKα","","0.2488","0.1209","","","0.3363","0.385","","","","","","1.053","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502033","11.886","0.002","12.224","0.002","13.111","0.003","66.65","0.03","68.48","0.03","85.32","0.03","1622.5","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H66 Br Cl3 Cu2 N6 O18 -","- C60 H54 Br Cl3 Cu2 N6 O14 -","- C60 H54 Br Cl3 Cu2 N6 O14 -","1","0.5","","Kong, Guo-Qiang; Wu, Chuan-De","Four Novel Coordination Polymers Based on a Flexible Zwitterionic Ligand and Their Framework Dependent Luminescent Properties","Crystal Growth & Design","2010","10","10","4590","","10.1021/cg100885e","","","0.71073","MoKα","","0.1245","0.0955","","","0.207","0.2299","","","","","","0.999","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502034","14.6283","0.0013","15.395","0.0014","15.2329","0.0014","90","","115.038","0.002","90","","3108.1","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 Br N4 O10 Zn -","- C30 H27 Br N3 O6 Zn -","- C120 H108 Br4 N12 O24 Zn4 -","4","1","","Kong, Guo-Qiang; Wu, Chuan-De","Four Novel Coordination Polymers Based on a Flexible Zwitterionic Ligand and Their Framework Dependent Luminescent Properties","Crystal Growth & Design","2010","10","10","4590","","10.1021/cg100885e","","","0.71073","MoKα","","0.1187","0.0968","","","0.2284","0.2382","","","","","","1.199","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502035","31.3519","0.0011","14.8394","0.0007","15.186","0.0004","90","","118.818","0.003","90","","6190.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H62 Br2 Cd2 N8 O22 -","- C60 H54 Br2 Cd2 N6 O12 -","- C240 H216 Br8 Cd8 N24 O48 -","4","1","","Kong, Guo-Qiang; Wu, Chuan-De","Four Novel Coordination Polymers Based on a Flexible Zwitterionic Ligand and Their Framework Dependent Luminescent Properties","Crystal Growth & Design","2010","10","10","4590","","10.1021/cg100885e","","","0.71073","MoKα","","0.1464","0.0974","","","0.2551","0.2646","","","","","","1.182","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502036","14.538","0.005","15.531","0.005","16.492","0.005","89.17","0.006","84.707","0.006","73.686","0.005","3558","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H80 Br Cd2 N9 O29 -","- C68 H58 Cd2 N7 O20 -","- C136 H116 Cd4 N14 O40 -","2","1","","Kong, Guo-Qiang; Wu, Chuan-De","Four Novel Coordination Polymers Based on a Flexible Zwitterionic Ligand and Their Framework Dependent Luminescent Properties","Crystal Growth & Design","2010","10","10","4590","","10.1021/cg100885e","","","0.71073","MoKα","","0.1221","0.0981","","","0.2457","0.2597","","","","","","1.076","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502037","5.7568","0.0002","5.7811","0.0002","8.0883","0.0003","90","","90.661","0.0015","90","","269.166","0.017","98","2","98","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Ag3 F4 O2 V -","- Ag3.014 F4 O2 V -","- Ag6.028 F8 O4 V2 -","2","0.5","","Chamberlain, Julia M.; Albrecht, Thomas A.; Lesage, Julien; Sauvage, Frédéric; Stern, Charlotte L.; Poeppelmeier, Kenneth R.","Crystal Growth of Ag3MOxF6−x(M= V,x= 2;M= Mo,x= 3)","Crystal Growth & Design","2010","10","11","4868","","10.1021/cg100890e","","","0.71073","MoKα","","0.0432","0.0393","","","0.113","0.1159","","","","","","1.069","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502038","5.85","0.006","5.886","0.006","8.295","0.008","90","","90.446","0.011","90","","285.6","0.5","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Ag3 F3 Mo O3 -","- Ag3 F3 Mo O3 -","- Ag6 F6 Mo2 O6 -","2","0.5","","Chamberlain, Julia M.; Albrecht, Thomas A.; Lesage, Julien; Sauvage, Frédéric; Stern, Charlotte L.; Poeppelmeier, Kenneth R.","Crystal Growth of Ag3MOxF6−x(M= V,x= 2;M= Mo,x= 3)","Crystal Growth & Design","2010","10","11","4868","","10.1021/cg100890e","","","0.71073","MoKα","","0.0307","0.0297","","","0.0781","0.0803","","","","","","1.209","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502039","15.1947","0.0006","6.2755","0.0002","16.4169","0.0008","90","","101.14","0.0016","90","","1535.93","0.11","110","2","110","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C40 H26 N8 -","- C40 H26 N8 -","- C80 H52 N16 -","2","0.5","","Lipstman, Sophia; Goldberg, Israel","Versatile Molecular Recognition Features of Tetra(3-pyridyl)porphyrin in Crystal Engineering","Crystal Growth & Design","2010","10","10","4596","","10.1021/cg1008973","","","0.71073","MoKα","","0.143","0.0667","","","0.1295","0.1543","","","","","","1.032","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502040","11.2219","0.0006","12.9085","0.0006","12.6121","0.0004","90","","114.007","0.003","90","","1668.92","0.14","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H24 Cl2 N8 Sn -","- C40 H24 Cl2 N8 Sn -","- C80 H48 Cl4 N16 Sn2 -","2","0.5","","Lipstman, Sophia; Goldberg, Israel","Versatile Molecular Recognition Features of Tetra(3-pyridyl)porphyrin in Crystal Engineering","Crystal Growth & Design","2010","10","10","4596","","10.1021/cg1008973","","","0.71073","MoKα","","0.0761","0.0523","","","0.1099","0.1187","","","","","","1.085","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502041","13.0346","0.0002","16.576","0.0003","14.3933","0.0002","90","","108.687","0.0011","90","","2945.9","0.08","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H24 Cu N8 -","- C40 H24 Cu N8 -","- C160 H96 Cu4 N32 -","4","1","","Lipstman, Sophia; Goldberg, Israel","Versatile Molecular Recognition Features of Tetra(3-pyridyl)porphyrin in Crystal Engineering","Crystal Growth & Design","2010","10","10","4596","","10.1021/cg1008973","","","0.71073","MoKα","","0.0968","0.0512","","","0.1065","0.1226","","","","","","1.003","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502042","14.7793","0.0007","14.7793","0.0007","17.2923","0.0006","90","","90","","90","","3777.1","0.3","110","2","110","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C40 H24 Cl4 Cu5 N8 -","- C40 H24 Cl4 Cu5 N8 -","- C160 H96 Cl16 Cu20 N32 -","4","0.25","","Lipstman, Sophia; Goldberg, Israel","Versatile Molecular Recognition Features of Tetra(3-pyridyl)porphyrin in Crystal Engineering","Crystal Growth & Design","2010","10","10","4596","","10.1021/cg1008973","","","0.71073","MoKα","","0.0803","0.0683","","","0.1574","0.1633","","","","","","1.159","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502043","15.414","0.0004","15.414","0.0004","17.4352","0.0004","90","","90","","90","","4142.45","0.18","110","2","110","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C40 H24 Cu5 I4 N8 -","- C40 H24 Cu5 I4 N8 -","- C160 H96 Cu20 I16 N32 -","4","0.25","","Lipstman, Sophia; Goldberg, Israel","Versatile Molecular Recognition Features of Tetra(3-pyridyl)porphyrin in Crystal Engineering","Crystal Growth & Design","2010","10","10","4596","","10.1021/cg1008973","","","0.71073","MoKα","","0.0692","0.0397","","","0.0803","0.09","","","","","","1.069","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502044","22.72","0.0003","26.471","0.0004","26.682","0.0006","90","0.0017","90.05","0.0016","90","0.0006","16047.1","0.5","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C168 H112 Cl10 Mn7 N32 O2 -","- C168 H112 Cl10 Mn7 N32 O2 -","- C672 H448 Cl40 Mn28 N128 O8 -","4","0.5","","Lipstman, Sophia; Goldberg, Israel","Versatile Molecular Recognition Features of Tetra(3-pyridyl)porphyrin in Crystal Engineering","Crystal Growth & Design","2010","10","10","4596","","10.1021/cg1008973","","","0.71073","MoKα","","0.1541","0.0769","","","0.1774","0.1969","","","","","","1.04","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502045","8.8667","0.0001","10.5938","0.0002","17.8796","0.0004","99.0766","0.0007","96.6727","0.0007","105.937","0.0012","1572.04","0.05","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H50 Cl2 N14 O24 Yb2 -","- C50 H50 Cl2 N14 O24 Yb2 -","- C50 H50 Cl2 N14 O24 Yb2 -","1","0.5","","Lipstman, Sophia; Goldberg, Israel","Versatile Molecular Recognition Features of Tetra(3-pyridyl)porphyrin in Crystal Engineering","Crystal Growth & Design","2010","10","10","4596","","10.1021/cg1008973","","","0.71073","MoKα","","0.0528","0.0412","","","0.0995","0.1075","","","","","","1.079","","","","has coordinates,has disorder","179551","2020-10-21","18:00:00",""
"4502046","6.6976","0.0002","13.0975","0.0004","17.5794","0.0005","68.2356","0.0013","80.2043","0.0014","83.374","0.002","1408.98","0.07","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H38 N18 O34 Yb2 -","- C40 H38 N18 O34 Yb1.9996 -","- C40 H38 N18 O34 Yb1.9996 -","1","0.5","","Lipstman, Sophia; Goldberg, Israel","Versatile Molecular Recognition Features of Tetra(3-pyridyl)porphyrin in Crystal Engineering","Crystal Growth & Design","2010","10","10","4596","","10.1021/cg1008973","","","0.71073","MoKα","","0.071","0.0548","","","0.1459","0.1566","","","","","","1.032","","","","has coordinates,has disorder","179551","2020-10-21","18:00:00",""
"4502047","16.951","0.0003","20.6689","0.0004","14.9251","0.0003","90","","102.671","0.0009","90","","5101.78","0.17","110","2","110","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C42 H34 Ce N13 O16 -","- C42 H34 Ce N13 O16 -","- C168 H136 Ce4 N52 O64 -","4","1","","Lipstman, Sophia; Goldberg, Israel","Versatile Molecular Recognition Features of Tetra(3-pyridyl)porphyrin in Crystal Engineering","Crystal Growth & Design","2010","10","10","4596","","10.1021/cg1008973","","","0.71073","MoKα","","0.0883","0.065","","","0.1612","0.1722","","","","","","0.969","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502048","15.896","0.002","15.896","0.002","15.505","0.003","90","","90","","90","","3917.8","1","293","2","293","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C30 H20 Co N6 O5 S4 -","- C30 H20 Co N6 O5 S4 -","- C120 H80 Co4 N24 O20 S16 -","4","0.25","","Callejo, Lorena M.; de la Pinta, Noelia; Madariaga, Gotzon; Fidalgo, Luz; Lezama, Luis; Cortés, Roberto","Structural, Spectroscopic, and Magnetic Characterization of the Coordination Polymers [MII(NCS)2(bpe)2]·3H2O·2C2H6SO [M = Co, Ni; bpe = 1,2-Bis(4-pyridyl)ethylene]. Two Interpenetrated Porous Networks","Crystal Growth & Design","2010","10","11","4874","","10.1021/cg100919a","","","0.71069","MoKα","","0.1048","0.0513","","","0.144","0.172","","","","","","1.003","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502049","15.6228","0.0019","15.6228","0.0019","15.732","0.002","90","","90","","90","","3839.7","0.8","293","2","293","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C30 H20 N6 Ni O5 S4 -","- C30 H20 N6 Ni O5 S4 -","- C120 H80 N24 Ni4 O20 S16 -","4","0.25","","Callejo, Lorena M.; de la Pinta, Noelia; Madariaga, Gotzon; Fidalgo, Luz; Lezama, Luis; Cortés, Roberto","Structural, Spectroscopic, and Magnetic Characterization of the Coordination Polymers [MII(NCS)2(bpe)2]·3H2O·2C2H6SO [M = Co, Ni; bpe = 1,2-Bis(4-pyridyl)ethylene]. Two Interpenetrated Porous Networks","Crystal Growth & Design","2010","10","11","4874","","10.1021/cg100919a","","","0.71069","MoKα","","0.1162","0.0418","","","0.096","0.1075","","","","","","1.03","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502050","41.686","0.005","19.05","0.005","29.292","0.005","90","0.005","120.028","0.005","90","0.005","20139","7","100","2","100","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","Compound X","","","- C108 H50 Mn9 N58 O10 W6 -","- C108 H50 Mn9 N58 O10 W6 -","- C432 H200 Mn36 N232 O40 W24 -","4","0.5","","Podgajny, Robert; Chorazy, Szymon; Nitek, Wojciech; Rams, Michał; Bałanda, Maria; Sieklucka, Barbara","{MnII9WV6}nNanowires Organized into Three-Dimensional Hybrid Network of I1O2Topology","Crystal Growth & Design","2010","10","11","4693","","10.1021/cg100920c","","x-ray","0.71069","MoKα","","0.1456","0.1283","","","0.3172","0.3339","","","","","","1.12","","","","has coordinates,has disorder","179551","2020-10-21","18:00:00",""
"4502051","27.2425","0.0008","7.5516","0.0002","19.4804","0.0006","90","","131.08","0.04","90","","3020.9","1.8","300","","300","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1:1 Co-crystal of 4HBA + 4PP","1:1 Co-crystal of 4-hydroxybenzoic acid and 4-phenylpyridine","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C144 H120 N8 O24 -","8","1","","Lapidus, Saul H.; Stephens, Peter W.; Arora, Kapildev K.; Shattock, Tanise R.; Zaworotko, Michael J.","A Comparison of Cocrystal Structure Solutions from Powder and Single Crystal Techniques","Crystal Growth & Design","2010","10","10","4630","","10.1021/cg1009237","powder diffraction","","0.698697","synchrotron","","","","","","","","","","1.5","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502052","9.3537","0.0003","21.1172","0.0006","11.9072","0.0004","90","","92.808","0.003","90","","2349.13","0.13","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1:2 Co-crystal of 3HBA + 4PP","1:2 Co-crystal of 3-hydroxybenzoic acid and 4-phenylpyridine","","- C29 H24 N2 O3 -","- C29 H24 N2 O3 -","- C116 H96 N8 O12 -","4","1","","Lapidus, Saul H.; Stephens, Peter W.; Arora, Kapildev K.; Shattock, Tanise R.; Zaworotko, Michael J.","A Comparison of Cocrystal Structure Solutions from Powder and Single Crystal Techniques","Crystal Growth & Design","2010","10","10","4630","","10.1021/cg1009237","powder diffraction","","0.69992","synchrotron","","","","","","","","","","1.196","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502053","9.4644","0.0003","17.7343","0.0005","10.9533","0.0003","90","","91.782","0.003","90","","1837.56","0.09","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2:3 Co-crystal of 3HBA + TMP","2:3 Co-crystal of 3-hydroxybenzoic acid and Tetramethylpyrazine","","- C19 H24 N3 O3 -","- C19 H24 N3 O3 -","- C76 H96 N12 O12 -","4","1","","Lapidus, Saul H.; Stephens, Peter W.; Arora, Kapildev K.; Shattock, Tanise R.; Zaworotko, Michael J.","A Comparison of Cocrystal Structure Solutions from Powder and Single Crystal Techniques","Crystal Growth & Design","2010","10","10","4630","","10.1021/cg1009237","powder diffraction","","0.698697","synchrotron","","","","","","","","","","1.411","","","","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502054","8.2321","0.0002","9.051","0.0003","10.4684","0.0003","71.731","0.002","72.433","0.002","87.083","0.003","705.31","0.04","300","","300","","","","","","","","","4","P -1","-P 1","2","1:1 Co-crystal of 3HBA + BP","1:1 Co-crystal of 3-hydroxybenzoic acid and 4,4'-Bipyridine","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C34 H28 N4 O6 -","2","1","","Lapidus, Saul H.; Stephens, Peter W.; Arora, Kapildev K.; Shattock, Tanise R.; Zaworotko, Michael J.","A Comparison of Cocrystal Structure Solutions from Powder and Single Crystal Techniques","Crystal Growth & Design","2010","10","10","4630","","10.1021/cg1009237","powder diffraction","","0.698404","synchrotron","","","","","","","","","","2.433","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502055","8.0439","0.0002","9.0985","0.0002","11.3073","0.0003","97.185","0.0029","91.5281","0.0027","91.1061","0.0027","820.55","0.04","300","","300","","","","","","","","","4","P -1","-P 1","2","1:1 Co-crystal of 3HBA + BPEA","1:1 Co-crystal of 3-hydroxybenzoic acid and 1,2-bis(4-pyridyl)ethane","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C38 H36 N4 O6 -","2","1","","Lapidus, Saul H.; Stephens, Peter W.; Arora, Kapildev K.; Shattock, Tanise R.; Zaworotko, Michael J.","A Comparison of Cocrystal Structure Solutions from Powder and Single Crystal Techniques","Crystal Growth & Design","2010","10","10","4630","","10.1021/cg1009237","powder diffraction","","0.698609","synchrotron","","","","","","","","","","3.974","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502056","6.20435","0.00019","7.10562","0.00021","18.61587","0.00055","92.9882","0.0028","94.267","0.0028","103.891","0.0031","792.41","0.04","300","","300","","","","","","","","","4","P -1","-P 1","2","1:1 Co-crystal of 4HBA + BPEE","1:1 Co-crystal of 4-hydroxybenzoic acid and 1,2-bis(4-pyridyl)ethene","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C38 H32 N4 O6 -","2","1","","Lapidus, Saul H.; Stephens, Peter W.; Arora, Kapildev K.; Shattock, Tanise R.; Zaworotko, Michael J.","A Comparison of Cocrystal Structure Solutions from Powder and Single Crystal Techniques","Crystal Growth & Design","2010","10","10","4630","","10.1021/cg1009237","powder diffraction","","0.69874","synchrotron","","","","","","","","","","2.619","","","","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502057","8.12889","0.00024","10.36002","0.00031","10.91631","0.00033","114.451","0.0034","104.451","0.0031","93.1661","0.0028","797.19","0.05","300","","300","","","","","","","","","4","P -1","-P 1","2","1:1 Co-crystal of 3HBA + BPEE","1:1 Co-crystal of 3-hydroxybenzoic acid and trans-1,2-bis(4-pyridyl)ethene","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C38 H32 N4 O6 -","2","1","","Lapidus, Saul H.; Stephens, Peter W.; Arora, Kapildev K.; Shattock, Tanise R.; Zaworotko, Michael J.","A Comparison of Cocrystal Structure Solutions from Powder and Single Crystal Techniques","Crystal Growth & Design","2010","10","10","4630","","10.1021/cg1009237","powder diffraction","","0.697865","synchrotron","","","","","","","","","","1.481","","","","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502058","7.58717","0.00023","23.9438","0.00072","12.58295","0.00038","90","","103.787","0.031","90","","2220","0.3","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2:1 Complex of 4HBA + BPEA","2:1 Complex of 4-hydroxybenzoic acid and 1,2-bis(4-pyridine)ethane","","- C26 H24 N2 O6 -","- C26 H24 N2 O6 -","- C104 H96 N8 O24 -","4","1","","Lapidus, Saul H.; Stephens, Peter W.; Arora, Kapildev K.; Shattock, Tanise R.; Zaworotko, Michael J.","A Comparison of Cocrystal Structure Solutions from Powder and Single Crystal Techniques","Crystal Growth & Design","2010","10","10","4630","","10.1021/cg1009237","powder diffraction","","0.698609","synchrotron","","","","","","","","","","2.37","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502059","10.28444","0.00031","10.97318","0.00033","10.41205","0.00032","90","","100.165","0.003","90","","1156.59","0.06","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1:1 complex of 3HP + IPA","1:1 ratio complex of 3-hydroxypyridine and Isophthalic acid","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Lapidus, Saul H.; Stephens, Peter W.; Arora, Kapildev K.; Shattock, Tanise R.; Zaworotko, Michael J.","A Comparison of Cocrystal Structure Solutions from Powder and Single Crystal Techniques","Crystal Growth & Design","2010","10","10","4630","","10.1021/cg1009237","powder diffraction","","0.698083","synchrotron","","","","","","","","","","3.165","","","","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502060","5.39362","0.00016","8.17308","0.00025","28.3888","0.0009","90","","90","","90","","1251.45","0.07","300","","300","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1:1 Co-crystal of LAA + NA","1:1 Co-crystal of L-ascorbic acid and Nicotinic acid","","- C12 H13 N O8 -","- C12 H13 N O8 -","- C48 H52 N4 O32 -","4","1","","Lapidus, Saul H.; Stephens, Peter W.; Arora, Kapildev K.; Shattock, Tanise R.; Zaworotko, Michael J.","A Comparison of Cocrystal Structure Solutions from Powder and Single Crystal Techniques","Crystal Growth & Design","2010","10","10","4630","","10.1021/cg1009237","powder diffraction","","0.698914","synchrotron","","","","","","","","","","2.38","","","","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502061","17.271","0.003","7.5384","0.0015","21.382","0.004","90","","90","","90","","2783.8","0.9","173","2","173","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C22 H30 Ag2 N4 O11 -","- C22 H30 Ag2 N4 O11 -","- C88 H120 Ag8 N16 O44 -","4","0.5","","Sun, Di; Xu, Hao-Ran; Yang, Cheng-Feng; Wei, Zhan-Hua; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","Encapsulated Diverse Water Aggregates in Two Ag(I)/4,4′-Bipyridine/Dicarboxylate Hosts: 1D Water Tape and Chain","Crystal Growth & Design","2010","10","10","4642","","10.1021/cg100927k","","","0.71073","MoKα","","0.0784","0.0643","","","0.1562","0.1646","","","","","","1.077","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502062","7.8756","0.0006","10.7284","0.0009","11.2127","0.0008","116.097","0.002","93.149","0.002","110.295","0.003","773.39","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 Ag N2 O5 -","- C13 H18 Ag N2 O5 -","- C26 H36 Ag2 N4 O10 -","2","1","","Sun, Di; Xu, Hao-Ran; Yang, Cheng-Feng; Wei, Zhan-Hua; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","Encapsulated Diverse Water Aggregates in Two Ag(I)/4,4′-Bipyridine/Dicarboxylate Hosts: 1D Water Tape and Chain","Crystal Growth & Design","2010","10","10","4642","","10.1021/cg100927k","","","0.71073","MoKα","","0.0291","0.0269","","","0.0667","0.068","","","","","","1.067","","","","has coordinates,has disorder","179551","2020-10-21","18:00:00",""
"4502063","10.7191","0.0012","14.2877","0.0016","8.5415","0.001","90","","108.857","0.0015","90","","1237.9","0.2","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C2 H13 Ga N2 O13 S3 -","- C2 H13 Ga N2 O13 S3 -","- C8 H52 Ga4 N8 O52 S12 -","4","0.5","","Kaufman, Elizabeth A.; Zeller, Matthias; Norquist, Alexander J.","A Slow Leak Synthetic Route to Organically Templated Gallium Sulfates","Crystal Growth & Design","2010","10","10","4656","","10.1021/cg1009412","","","0.71073","MoKα","","0.0311","0.0293","","0.0972","0.0965","0.0961","","","","","","0.8586","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502064","6.7909","0.0019","10.266","0.003","15.002","0.004","90","","92.213","0.005","90","","1045.1","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C2 H13 Ga N2 O10 S2 -","- C2 H13 Ga N2 O10 S2 -","- C8 H52 Ga4 N8 O40 S8 -","4","1","","Kaufman, Elizabeth A.; Zeller, Matthias; Norquist, Alexander J.","A Slow Leak Synthetic Route to Organically Templated Gallium Sulfates","Crystal Growth & Design","2010","10","10","4656","","10.1021/cg1009412","","","0.71073","MoKα","","0.1306","0.0801","","0.2012","0.1674","0.147","","","","","","0.9981","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502065","9.5014","0.0013","9.9391","0.0013","10.7737","0.0014","105.676","0.0016","90.0129","0.0015","90.2245","0.0015","979.6","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C4 H22 Ga2 N2 O20 S4 -","- C4 H22 Ga2 N2 O20 S4 -","- C8 H44 Ga4 N4 O40 S8 -","2","1","","Kaufman, Elizabeth A.; Zeller, Matthias; Norquist, Alexander J.","A Slow Leak Synthetic Route to Organically Templated Gallium Sulfates","Crystal Growth & Design","2010","10","10","4656","","10.1021/cg1009412","","","0.71073","MoKα","","0.0289","0.0259","","0.0822","0.0767","0.0758","","","","","","1.0108","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502066","5.6262","0.0007","8.9854","0.001","10.3386","0.0012","87.2207","0.0014","82.1832","0.0013","87.5904","0.0013","516.86","0.11","110","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C6 H26 Ga2 N2 O20 S4 -","- C6 H26 Ga2 N2 O20 S4 -","- C6 H26 Ga2 N2 O20 S4 -","1","0.5","","Kaufman, Elizabeth A.; Zeller, Matthias; Norquist, Alexander J.","A Slow Leak Synthetic Route to Organically Templated Gallium Sulfates","Crystal Growth & Design","2010","10","10","4656","","10.1021/cg1009412","","","0.71073","MoKα","","0.0182","0.0177","","0.0508","0.0484","0.0481","","","","","","1.0171","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502067","22.302","0.008","23.455","0.006","5.55","0.001","90","","90","","90","","2903.2","1.4","200.2","","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C20 H18 Ag2 F6 N12 O6 S2 -","- C20 H18 Ag2 F6 N12 O6 S2 -","- C80 H72 Ag8 F24 N48 O24 S8 -","4","0.5","","Murata, Tsuyoshi; Yakiyama, Yumi; Nakasuji, Kazuhiro; Morita, Yasushi","Supramolecular Architectures and Hydrogen-Bond Directionalities of 4,4′-Biimidazole Metal Complexes Depending on Coordination Geometries","Crystal Growth & Design","2010","10","11","4898","","10.1021/cg100958r","","","0.7107","MoKα","","","0.0571","","","","0.1712","","","","","","1.106","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502068","13.038","0.001","10.7926","0.0006","7.4191","0.0005","90","","117.496","0.007","90","","926.05","0.12","296.1","","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H12 Cl2 Cu N8 O8 -","- C12 H12 Cl2 Cu N8 O8 -","- C24 H24 Cl4 Cu2 N16 O16 -","2","0.25","","Murata, Tsuyoshi; Yakiyama, Yumi; Nakasuji, Kazuhiro; Morita, Yasushi","Supramolecular Architectures and Hydrogen-Bond Directionalities of 4,4′-Biimidazole Metal Complexes Depending on Coordination Geometries","Crystal Growth & Design","2010","10","11","4898","","10.1021/cg100958r","","","0.7107","MoKα","","","0.07","","","","0.212","","","","","","1.1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502069","7.569","0.007","11.619","0.01","19.4","0.02","93.78","0.07","85.04","0.07","98.66","0.07","1678","3","200.2","","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H15 Cl2 Cu N8 O1.5 -","- C12 H12 Cl2 Cu N8 O1.5 -","- C48 H48 Cl8 Cu4 N32 O6 -","4","2","","Murata, Tsuyoshi; Yakiyama, Yumi; Nakasuji, Kazuhiro; Morita, Yasushi","Supramolecular Architectures and Hydrogen-Bond Directionalities of 4,4′-Biimidazole Metal Complexes Depending on Coordination Geometries","Crystal Growth & Design","2010","10","11","4898","","10.1021/cg100958r","","","0.7107","MoKα","","","0.0484","","","","0.1177","","","","","","0.863","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4502070","14.921","0.007","4.993","0.002","20.56","0.01","90","","90","","90","","1531.7","1.2","200.1","","200","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H16 Cu N8 O3 -","- C12 H16 Cu N8 O3 -","- C48 H64 Cu4 N32 O12 -","4","0.5","","Murata, Tsuyoshi; Yakiyama, Yumi; Nakasuji, Kazuhiro; Morita, Yasushi","Supramolecular Architectures and Hydrogen-Bond Directionalities of 4,4′-Biimidazole Metal Complexes Depending on Coordination Geometries","Crystal Growth & Design","2010","10","11","4898","","10.1021/cg100958r","","","0.7107","MoKα","","","0.039","","","","0.101","","","","","","0.774","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502071","17.373","0.002","13.845","0.002","10.509","0.001","90","0.002","98.052","0.002","90","0.002","2502.8","0.5","150.2","","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 N14 Ni O6 -","- C18 H18 N14 Ni O6 -","- C72 H72 N56 Ni4 O24 -","4","0.5","","Murata, Tsuyoshi; Yakiyama, Yumi; Nakasuji, Kazuhiro; Morita, Yasushi","Supramolecular Architectures and Hydrogen-Bond Directionalities of 4,4′-Biimidazole Metal Complexes Depending on Coordination Geometries","Crystal Growth & Design","2010","10","11","4898","","10.1021/cg100958r","","","0.7107","MoKα","","","0.041","","","","0.095","","","","","","0.689","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4502072","19.669","0.0013","14.5135","0.001","9.7746","0.0007","90","","90","","90","","2790.3","0.3","200","2","200","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C18 H19 Cl2 N12 Ni O8 -","- C18 H18 Cl2 N12 Ni O8 -","- C72 H72 Cl8 N48 Ni4 O32 -","4","1","","Murata, Tsuyoshi; Yakiyama, Yumi; Nakasuji, Kazuhiro; Morita, Yasushi","Supramolecular Architectures and Hydrogen-Bond Directionalities of 4,4′-Biimidazole Metal Complexes Depending on Coordination Geometries","Crystal Growth & Design","2010","10","11","4898","","10.1021/cg100958r","","","0.7107","MoKα","","0.0912","0.0774","","","0.2157","0.2312","","","","","","1.038","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502073","8.175","0.002","13.3","0.003","17.954","0.003","89.75","0.03","82.11","0.03","76.05","0.03","1875.7","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H30 N8 O17 Zr -","- C36 H30 N8 O17 Zr -","- C72 H60 N16 O34 Zr2 -","2","1","","Mouchaham, Georges; Roques, Nans; Imaz, Inhar; Duhayon, Carine; Sutter, Jean-Pascal","Driving the Assembling of Zirconium Tetraoxalate Metallotectons and Benzimidazolium Cations: From Three Dimensional Hydrogen-Bonded Compact Architectures to Open-Frameworks","Crystal Growth & Design","2010","10","11","4906","","10.1021/cg1009785","","","0.751","synchrotron","","0.0556","0.0548","","","0.1585","0.1599","","","","","","1.046","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502074","7.1593","0.0008","14.8091","0.0016","16.6908","0.0019","100.611","0.013","97.694","0.014","93.619","0.013","1716.7","0.3","180","","180","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H27 K N6 O19 Zr -","- C29 H27 K N6 O19 Zr -","- C58 H54 K2 N12 O38 Zr2 -","2","1","","Mouchaham, Georges; Roques, Nans; Imaz, Inhar; Duhayon, Carine; Sutter, Jean-Pascal","Driving the Assembling of Zirconium Tetraoxalate Metallotectons and Benzimidazolium Cations: From Three Dimensional Hydrogen-Bonded Compact Architectures to Open-Frameworks","Crystal Growth & Design","2010","10","11","4906","","10.1021/cg1009785","","","0.71073","MoKα","","0.0538","0.0408","","0.0528","0.0454","0.0464","","","","","","1.0766","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502075","10.126","0.002","10.126","0.002","35.649","0.002","90","","90","","90","","3655.3","1","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C36 H28 N8 O16 Zr -","- C36 H28 N8 O16 Zr -","- C144 H112 N32 O64 Zr4 -","4","1","","Mouchaham, Georges; Roques, Nans; Imaz, Inhar; Duhayon, Carine; Sutter, Jean-Pascal","Driving the Assembling of Zirconium Tetraoxalate Metallotectons and Benzimidazolium Cations: From Three Dimensional Hydrogen-Bonded Compact Architectures to Open-Frameworks","Crystal Growth & Design","2010","10","11","4906","","10.1021/cg1009785","","","0.751","synchrotron","","0.0244","0.0241","","","0.0651","0.0654","","","","","","0.99","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502076","9.8737","0.0003","11.1192","0.0003","18.7391","0.0005","81.793","0.002","77.675","0.002","83.556","0.002","1982.2","0.1","180","","180","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H32 N12 O16 Zr -","- C36 H32 N12 O16 Zr -","- C72 H64 N24 O32 Zr2 -","2","1","","Mouchaham, Georges; Roques, Nans; Imaz, Inhar; Duhayon, Carine; Sutter, Jean-Pascal","Driving the Assembling of Zirconium Tetraoxalate Metallotectons and Benzimidazolium Cations: From Three Dimensional Hydrogen-Bonded Compact Architectures to Open-Frameworks","Crystal Growth & Design","2010","10","11","4906","","10.1021/cg1009785","","","0.71073","MoKα","","0.0452","0.0318","","0.0411","0.0329","0.0317","","","","","","1.124","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502077","12.5952","0.0005","13.8567","0.0006","15.2798","0.0006","65.6","0.004","84.434","0.003","80.042","0.003","2391.01","0.19","180","","180","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H50 N8 O23 Zr -","- C40 H50 N8 O23 Zr -","- C80 H100 N16 O46 Zr2 -","2","1","","Mouchaham, Georges; Roques, Nans; Imaz, Inhar; Duhayon, Carine; Sutter, Jean-Pascal","Driving the Assembling of Zirconium Tetraoxalate Metallotectons and Benzimidazolium Cations: From Three Dimensional Hydrogen-Bonded Compact Architectures to Open-Frameworks","Crystal Growth & Design","2010","10","11","4906","","10.1021/cg1009785","","","0.71073","MoKα","","0.0596","0.0374","","0.0553","0.0417","0.0399","","","","","","1.076","","","","has coordinates","288252","2023-12-12","14:26:24",""
"4502078","10.7023","0.0004","11.0948","0.0004","14.2396","0.0006","81.8","0.003","87.425","0.003","81.5","0.003","1654.65","0.11","180","","180","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H60 N12 O31 Zr2 -","- C62 H58 N12 O31 Zr2 -","- C62 H58 N12 O31 Zr2 -","1","0.5","","Mouchaham, Georges; Roques, Nans; Imaz, Inhar; Duhayon, Carine; Sutter, Jean-Pascal","Driving the Assembling of Zirconium Tetraoxalate Metallotectons and Benzimidazolium Cations: From Three Dimensional Hydrogen-Bonded Compact Architectures to Open-Frameworks","Crystal Growth & Design","2010","10","11","4906","","10.1021/cg1009785","","","0.71073","MoKα","","0.0674","0.0394","","0.0376","0.0334","0.0325","","","","","","1.1914","","","","has coordinates","288252","2023-12-12","14:26:24",""
"4502079","13.3247","0.0014","15.3217","0.0016","19.237","0.002","88.35","0.004","88.096","0.005","86.067","0.005","3914.6","0.7","180","","180","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H63 Cl6 N12 O41.5 Zr2 -","- C56 H51 Cl6 N12 O41.5 Zr2 -","- C112 H102 Cl12 N24 O83 Zr4 -","2","1","","Mouchaham, Georges; Roques, Nans; Imaz, Inhar; Duhayon, Carine; Sutter, Jean-Pascal","Driving the Assembling of Zirconium Tetraoxalate Metallotectons and Benzimidazolium Cations: From Three Dimensional Hydrogen-Bonded Compact Architectures to Open-Frameworks","Crystal Growth & Design","2010","10","11","4906","","10.1021/cg1009785","","","0.71073","MoKα","","0.0873","0.053","","0.0802","0.0531","0.0506","","","","","","1.1113","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502080","11.3516","0.0002","11.8429","0.0002","14.6615","0.0003","90","","108.21","0.001","90","","1872.32","0.06","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C36 H36 N8 O8 Rh2 -","- C36 H36 N8 O8 Rh2 -","- C72 H72 N16 O16 Rh4 -","2","0.5","","Urankar, Damijana; Pevec, Andrej; Turel, Iztok; Košmrlj, Janez","Pyridyl Conjugated 1,2,3-Triazole is a Versatile Coordination Ability Ligand Enabling Supramolecular Associations","Crystal Growth & Design","2010","10","11","4920","","10.1021/cg100993k","","","0.71073","MoKα","","0.0472","0.0297","","","0.0634","0.0699","","","","","","1.034","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502081","8.1712","0.0002","12.0902","0.0004","18.5416","0.0005","90","","102.192","0.0017","90","","1790.44","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Cl3 N4 O Pd -","- C14 H13 Cl3 N4 O Pd -","- C56 H52 Cl12 N16 O4 Pd4 -","4","1","","Urankar, Damijana; Pevec, Andrej; Turel, Iztok; Košmrlj, Janez","Pyridyl Conjugated 1,2,3-Triazole is a Versatile Coordination Ability Ligand Enabling Supramolecular Associations","Crystal Growth & Design","2010","10","11","4920","","10.1021/cg100993k","","","0.71073","MoKα","","0.0532","0.0356","","","0.0996","0.117","","","","","","1.088","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502082","7.4737","0.0002","14.6923","0.0004","14.7443","0.0005","91.615","0.0016","101.799","0.0015","94.6117","0.0017","1578.02","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 Au Cl5 N8 -","- C28 H26 Au Cl5 N8 -","- C56 H52 Au2 Cl10 N16 -","2","1","","Urankar, Damijana; Pevec, Andrej; Turel, Iztok; Košmrlj, Janez","Pyridyl Conjugated 1,2,3-Triazole is a Versatile Coordination Ability Ligand Enabling Supramolecular Associations","Crystal Growth & Design","2010","10","11","4920","","10.1021/cg100993k","","","0.71073","MoKα","","0.0569","0.03","","","0.058","0.0659","","","","","","1.04","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502083","7.6341","0.0006","9.3095","0.0007","15.6476","0.0011","106.345","0.004","93.27","0.005","109.439","0.004","992.24","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 Br8 Hg4 N8 -","- C28 H24 Br8 Hg4 N8 -","- C28 H24 Br8 Hg4 N8 -","1","0.5","","Urankar, Damijana; Pevec, Andrej; Turel, Iztok; Košmrlj, Janez","Pyridyl Conjugated 1,2,3-Triazole is a Versatile Coordination Ability Ligand Enabling Supramolecular Associations","Crystal Growth & Design","2010","10","11","4920","","10.1021/cg100993k","","","0.71073","MoKα","","0.0688","0.0401","","","0.0873","0.1012","","","","","","1.085","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502084","6.9819","0.0006","18.7029","0.0016","9.6814","0.0008","90","","109.574","0.0015","90","","1191.16","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","piperidinium salicylate","piperidinium 2-hydroxybenzoate","","- C12 H17 N O3 -","- C12 H17 N O3 -","- C48 H68 N4 O12 -","4","1","","Fonari, Marina S.; Ganin, Eduard V.; Basok, Stepan S.; Lyssenko, Konstantin A.; Zaworotko, Michael J.; Kravtsov, Victor Ch.","Structural Study of Salicylic Acid Salts of a Series of Azacycles and Azacrown Ethers","Crystal Growth & Design","2010","10","12","5210","","10.1021/cg101002x","","","0.71073","MoKα","","0.043","0.0388","","","0.106","0.109","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4502085","7.7185","0.0007","18.8796","0.0017","10.3126","0.0009","90","","92.642","0.002","90","","1501.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","meso-5,7,7,12,12,14-hexamethyl-1,4,8,11- tetraaza- cyclotetradecane bis(salicylate)","meso-5,7,7,12,12,14-hexamethyl-1,4,8,11- tetraaza- cyclotetradecane bis(2-hydroxybenzoate)","","- C30 H48 N4 O6 -","- C30 H48 N4 O6 -","- C60 H96 N8 O12 -","2","0.5","","Fonari, Marina S.; Ganin, Eduard V.; Basok, Stepan S.; Lyssenko, Konstantin A.; Zaworotko, Michael J.; Kravtsov, Victor Ch.","Structural Study of Salicylic Acid Salts of a Series of Azacycles and Azacrown Ethers†","Crystal Growth & Design","2010","10","12","5210","","10.1021/cg101002x","","","0.71073","MoKα","","0.0588","0.0512","","","0.14","0.1455","","","","","","1.048","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502086","12.0263","0.0019","13.537","0.002","18.878","0.003","90","","90.447","0.003","90","","3073.2","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","azonia-12-crown-4 salicylate","1,4,7-trioxa-10-azoniacyclododecane 2-hydroxybenzoate","","- C15 H23 N O6 -","- C15 H23 N O6 -","- C120 H184 N8 O48 -","8","2","","Fonari, Marina S.; Ganin, Eduard V.; Basok, Stepan S.; Lyssenko, Konstantin A.; Zaworotko, Michael J.; Kravtsov, Victor Ch.","Structural Study of Salicylic Acid Salts of a Series of Azacycles and Azacrown Ethers†","Crystal Growth & Design","2010","10","12","5210","","10.1021/cg101002x","","","0.71073","MoKα","","0.091","0.0518","","","0.0912","0.1008","","","","","","0.97","","","","has coordinates,has disorder","179551","2020-10-21","18:00:00",""
"4502087","5.4184","0.0005","12.6","0.0012","15.9635","0.0016","112.789","0.002","95.915","0.002","91.267","0.002","997.14","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","benzazonia-15-crown-5 salicylate","2,3,6,7,8,9,11,12-octahydro-5H-1,4,10,13,7- benzotetraoxaazoniacyclopentadecine 2-hydroxybenzoate","","- C21 H27 N O7 -","- C21 H27 N O7 -","- C42 H54 N2 O14 -","2","1","","Fonari, Marina S.; Ganin, Eduard V.; Basok, Stepan S.; Lyssenko, Konstantin A.; Zaworotko, Michael J.; Kravtsov, Victor Ch.","Structural Study of Salicylic Acid Salts of a Series of Azacycles and Azacrown Ethers†","Crystal Growth & Design","2010","10","12","5210","","10.1021/cg101002x","","","0.71073","MoKα","","0.061","0.0494","","","0.1226","0.1285","","","","","","0.958","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502088","27.132","0.002","10.2359","0.0008","7.9185","0.0006","90","","90","","90","","2199.1","0.3","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","azonia-18-crown-6 salicylate dihydrate","1,4,7,10,13-pentaoxa-16-azoniacyclooctadecane 2-hydroxybenzoate dihydrate","","- C19 H35 N O10 -","- C19 H35 N O10 -","- C76 H140 N4 O40 -","4","1","","Fonari, Marina S.; Ganin, Eduard V.; Basok, Stepan S.; Lyssenko, Konstantin A.; Zaworotko, Michael J.; Kravtsov, Victor Ch.","Structural Study of Salicylic Acid Salts of a Series of Azacycles and Azacrown Ethers†","Crystal Growth & Design","2010","10","12","5210","","10.1021/cg101002x","","","0.71073","MoKα","","0.0464","0.0377","","","0.0623","0.0644","","","","","","0.953","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502089","9.434","0.002","12.587","0.003","13.843","0.002","98.175","0.004","90.721","0.002","111.355","0.003","1511.7","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","7,16-Diazonia-18-crown-6 bis(salicylate) trihydrate","1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane bis(2-hydroxybenzoate) trihydrate","","- C26 H44 N2 O13 -","- C26 H38 N2 O12.709 -","- C52 H76 N4 O25.418 -","2","1","","Fonari, Marina S.; Ganin, Eduard V.; Basok, Stepan S.; Lyssenko, Konstantin A.; Zaworotko, Michael J.; Kravtsov, Victor Ch.","Structural Study of Salicylic Acid Salts of a Series of Azacycles and Azacrown Ethers†","Crystal Growth & Design","2010","10","12","5210","","10.1021/cg101002x","","","0.71073","MoKα","","0.181","0.0923","","","0.2341","0.27","","","","","","0.912","","","","has coordinates,has disorder","179551","2020-10-21","18:00:00",""
"4502090","17.591","0.0002","22.781","0.0003","19.058","0.0002","90","","93.225","0.001","90","","7625.22","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C144 H150 Cl2 N26 Ni7 O36 -","- C132 H104 Cl2 N22 Ni7 O36 -","- C264 H208 Cl4 N44 Ni14 O72 -","2","0.5","","Liu, Hong-Sheng; Lan, Ya-Qian; Li, Shun-Li","Metal−Organic Frameworks with Diverse Structures Constructed by Using Capsule-like Ligand and NiIIBased on Ionothermal and Hydrothermal Methods","Crystal Growth & Design","2010","10","12","5221","","10.1021/cg1010105","","","0.71069","MoKα","","0.1303","0.0836","","","0.2384","0.2809","","","","","","0.996","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502091","17.591","0.0002","22.781","0.0003","19.058","0.0002","90","","93.225","0.001","90","","7625.22","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C144 H150 Cl2 N26 Ni7 O36 -","- C132 H104 N20 Ni7 O24 -","- C264 H208 N40 Ni14 O48 -","2","0.5","","Liu, Hong-Sheng; Lan, Ya-Qian; Li, Shun-Li","Metal−Organic Frameworks with Diverse Structures Constructed by Using Capsule-like Ligand and NiIIBased on Ionothermal and Hydrothermal Methods","Crystal Growth & Design","2010","10","12","5221","","10.1021/cg1010105","","","0.71069","MoKα","","0.0944","0.0629","","","0.1711","0.1846","","","","","","0.95","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502092","13.462","0.002","16.548","0.003","18.52","0.003","114.014","0.003","98.404","0.003","100.812","0.003","3586.1","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H70 N10 Ni2 O17 -","- C66 H54 N10 Ni2 O17 -","- C132 H108 N20 Ni4 O34 -","2","1","","Liu, Hong-Sheng; Lan, Ya-Qian; Li, Shun-Li","Metal−Organic Frameworks with Diverse Structures Constructed by Using Capsule-like Ligand and NiIIBased on Ionothermal and Hydrothermal Methods","Crystal Growth & Design","2010","10","12","5221","","10.1021/cg1010105","","","0.71069","MoKα","","0.1269","0.0671","","","0.1753","0.2099","","","","","","0.939","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502093","5.4983","0.0001","13.8723","0.0005","18.4331","0.0005","98.062","0.001","91.748","0.002","95.479","0.002","1384.34","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 F2 N6 O13 -","- C25 H24 F2 N6 O13 -","- C50 H48 F4 N12 O26 -","2","1","","Kastelic, Jože; Hodnik, Žiga; Šket, Primož; Plavec, Janez; Lah, Nina; Leban, Ivan; Pajk, Matjaž; Planinšek, Odon; Kikelj, Danijel","Fluconazole Cocrystals with Dicarboxylic Acids","Crystal Growth & Design","2010","10","11","4943","","10.1021/cg1010117","","","0.71073","MoKα","","0.0733","0.0569","","","0.1516","0.1627","","","","","","1.126","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502094","8.4151","0.0003","10.0035","0.0004","10.6165","0.0003","75.077","0.002","86.219","0.003","76.054","0.002","838.1","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 F2 N6 O3 -","- C15 H14 F2 N6 O3 -","- C30 H28 F4 N12 O6 -","2","1","","Kastelic, Jože; Hodnik, Žiga; Šket, Primož; Plavec, Janez; Lah, Nina; Leban, Ivan; Pajk, Matjaž; Planinšek, Odon; Kikelj, Danijel","Fluconazole Cocrystals with Dicarboxylic Acids","Crystal Growth & Design","2010","10","11","4943","","10.1021/cg1010117","","","0.71073","MoKα","","0.0662","0.0425","","","0.0961","0.1073","","","","","","1.033","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502095","5.6897","0.0002","10.659","0.0003","17.0635","0.0005","72.909","0.002","84.453","0.002","80.863","0.002","975.22","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 F2 N6 O5 -","- C18 H20 F2 N6 O5 -","- C36 H40 F4 N12 O10 -","2","1","","Kastelic, Jože; Hodnik, Žiga; Šket, Primož; Plavec, Janez; Lah, Nina; Leban, Ivan; Pajk, Matjaž; Planinšek, Odon; Kikelj, Danijel","Fluconazole Cocrystals with Dicarboxylic Acids","Crystal Growth & Design","2010","10","11","4943","","10.1021/cg1010117","","","0.71073","MoKα","","0.0642","0.04","","","0.0846","0.0944","","","","","","1.011","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502096","6.793","0.002","12.736","0.004","17.34","0.006","90","","93.437","0.006","90","","1497.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Fe N10 O10 -","- C26 H32 Fe N10 O10 -","- C52 H64 Fe2 N20 O20 -","2","0.5","","Cao, Man-Li; Wu, Jin-Ji; Liang, Jin-Juan; Ye, Bao-Hui","Ligand-Directed Assembly of Asymmetric 1,3,5-Triazine Ligands Containing Pyridyl and Hydroxyl Groups","Crystal Growth & Design","2010","10","11","4934","","10.1021/cg101016t","","","0.71073","MoKα","","0.0433","0.038","","","0.0991","0.1025","","","","","","1.015","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502097","10.0067","0.0012","14.5084","0.0018","14.0415","0.0014","90","","114.311","0.007","90","","1857.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Co N6 O4 -","- C19 H14 Co N6 O4 -","- C76 H56 Co4 N24 O16 -","4","1","","Cao, Man-Li; Wu, Jin-Ji; Liang, Jin-Juan; Ye, Bao-Hui","Ligand-Directed Assembly of Asymmetric 1,3,5-Triazine Ligands Containing Pyridyl and Hydroxyl Groups","Crystal Growth & Design","2010","10","11","4934","","10.1021/cg101016t","","","0.71073","MoKα","","0.0578","0.0454","","","0.1086","0.1158","","","","","","1.01","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502098","10.0488","0.0011","14.6598","0.0016","13.4856","0.0015","90","","108.268","0.002","90","","1886.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Fe N6 O4 -","- C19 H14 Fe N6 O4 -","- C76 H56 Fe4 N24 O16 -","4","1","","Cao, Man-Li; Wu, Jin-Ji; Liang, Jin-Juan; Ye, Bao-Hui","Ligand-Directed Assembly of Asymmetric 1,3,5-Triazine Ligands Containing Pyridyl and Hydroxyl Groups","Crystal Growth & Design","2010","10","11","4934","","10.1021/cg101016t","","","0.71073","MoKα","","0.0383","0.035","","","0.0971","0.1","","","","","","0.999","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502099","10.0145","0.0011","14.561","0.0016","14.0695","0.0012","90","","114.635","0.006","90","","1864.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N6 O4 Zn -","- C19 H14 N6 O4 Zn -","- C76 H56 N24 O16 Zn4 -","4","1","","Cao, Man-Li; Wu, Jin-Ji; Liang, Jin-Juan; Ye, Bao-Hui","Ligand-Directed Assembly of Asymmetric 1,3,5-Triazine Ligands Containing Pyridyl and Hydroxyl Groups","Crystal Growth & Design","2010","10","11","4934","","10.1021/cg101016t","","","0.71073","MoKα","","0.0331","0.0294","","","0.0824","0.0848","","","","","","1.006","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502100","20.746","0.005","13.754","0.003","11.421","0.003","90","","121.044","0.004","90","","2792.1","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 Co N10 O5 -","- C26 H20 Co N10 O5 -","- C104 H80 Co4 N40 O20 -","4","0.5","","Cao, Man-Li; Wu, Jin-Ji; Liang, Jin-Juan; Ye, Bao-Hui","Ligand-Directed Assembly of Asymmetric 1,3,5-Triazine Ligands Containing Pyridyl and Hydroxyl Groups","Crystal Growth & Design","2010","10","11","4934","","10.1021/cg101016t","","","0.71073","MoKα","","0.0855","0.0682","","","0.1941","0.2086","","","","","","1.016","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502101","8.694","0.002","16.956","0.005","13.172","0.004","90","","92.306","0.004","90","","1940.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19.5 H14 Co N6 O4.5 -","- C19.5 H14 Co N6 O4.5 -","- C78 H56 Co4 N24 O18 -","4","1","","Cao, Man-Li; Wu, Jin-Ji; Liang, Jin-Juan; Ye, Bao-Hui","Ligand-Directed Assembly of Asymmetric 1,3,5-Triazine Ligands Containing Pyridyl and Hydroxyl Groups","Crystal Growth & Design","2010","10","11","4934","","10.1021/cg101016t","","","0.71073","MoKα","","0.0447","0.0382","","","0.1176","0.1258","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502102","8.6369","0.0007","16.9044","0.0014","13.1088","0.001","90","","92.608","0.001","90","","1911.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19.5 H14 N6 Ni O4.5 -","- C19.5 H14 N6 Ni O4.5 -","- C78 H56 N24 Ni4 O18 -","4","1","","Cao, Man-Li; Wu, Jin-Ji; Liang, Jin-Juan; Ye, Bao-Hui","Ligand-Directed Assembly of Asymmetric 1,3,5-Triazine Ligands Containing Pyridyl and Hydroxyl Groups","Crystal Growth & Design","2010","10","11","4934","","10.1021/cg101016t","","","0.71073","MoKα","","0.0401","0.0351","","","0.0953","0.099","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502103","17.5574","0.0018","53.109","0.005","10.0233","0.001","90","","90","","90","","9346.3","1.6","150","2","150","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C14 H14 O S -","- C14 H14 O S -","- C448 H448 O32 S32 -","32","2","","Eccles, Kevin S.; Elcoate, Curtis J.; Stokes, Stephen P.; Maguire, Anita R.; Lawrence, Simon E.","Sulfoxides: Potent Co-Crystal Formers","Crystal Growth & Design","2010","10","10","4243","","10.1021/cg1010192","","","0.71073","MoKα","","0.0825","0.0493","","","0.1244","0.1426","","","","","","1.035","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502104","8.916","0.0009","9.2514","0.0009","10.1431","0.001","90","","111.603","0.002","90","","777.89","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H13 N S -","- C7 H13 N S -","- C28 H52 N4 S4 -","4","1","","Eccles, Kevin S.; Elcoate, Curtis J.; Stokes, Stephen P.; Maguire, Anita R.; Lawrence, Simon E.","Sulfoxides: Potent Co-Crystal Formers","Crystal Growth & Design","2010","10","10","4243","","10.1021/cg1010192","","","0.71073","MoKα","","0.0256","0.024","","","0.0629","0.064","","","","","","1.035","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502105","9.0489","0.0014","19.939","0.003","10.718","0.0014","90","","105.559","0.005","90","","1862.9","0.5","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N O S2 -","- C19 H23 N O S2 -","- C76 H92 N4 O4 S8 -","4","1","","Eccles, Kevin S.; Elcoate, Curtis J.; Stokes, Stephen P.; Maguire, Anita R.; Lawrence, Simon E.","Sulfoxides: Potent Co-Crystal Formers","Crystal Growth & Design","2010","10","10","4243","","10.1021/cg1010192","","","0.71073","MoKα","","0.0808","0.0423","","","0.0911","0.1051","","","","","","1.023","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502106","13.781","0.004","9.697","0.002","14.046","0.004","90","","117.899","0.005","90","","1658.9","0.8","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C19 H17 N O3 S -","- C19 H17 N O3 S -","- C76 H68 N4 O12 S4 -","4","1","","Eccles, Kevin S.; Elcoate, Curtis J.; Stokes, Stephen P.; Maguire, Anita R.; Lawrence, Simon E.","Sulfoxides: Potent Co-Crystal Formers","Crystal Growth & Design","2010","10","10","4243","","10.1021/cg1010192","","","0.71073","MoKα","","0.0473","0.0364","","","0.1016","0.1149","","","","","","1.058","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502107","11.3847","0.0005","8.4235","0.0004","16.5458","0.0008","90","","94.91","0.001","90","","1580.9","0.13","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N2 O S2 -","- C15 H18 N2 O S2 -","- C60 H72 N8 O4 S8 -","4","1","","Eccles, Kevin S.; Elcoate, Curtis J.; Stokes, Stephen P.; Maguire, Anita R.; Lawrence, Simon E.","Sulfoxides: Potent Co-Crystal Formers","Crystal Growth & Design","2010","10","10","4243","","10.1021/cg1010192","","","0.71073","MoKα","","0.04","0.0324","","","0.0805","0.0868","","","","","","1.032","","","","has coordinates,has disorder","179552","2020-10-21","18:00:00",""
"4502108","28.475","0.006","7.743","0.0016","12.448","0.003","90","","106.798","0.004","90","","2627.4","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 N4 O S3 -","- C28 H26 N4 O S3 -","- C112 H104 N16 O4 S12 -","4","0.5","","Eccles, Kevin S.; Elcoate, Curtis J.; Stokes, Stephen P.; Maguire, Anita R.; Lawrence, Simon E.","Sulfoxides: Potent Co-Crystal Formers","Crystal Growth & Design","2010","10","10","4243","","10.1021/cg1010192","","","0.71073","MoKα","","0.072","0.0491","","","0.1111","0.1234","","","","","","1.099","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502109","18.2025","0.0019","19.566","0.002","5.1336","0.0005","90","","90","","90","","1828.3","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H21 N O2 S -","- C21 H21 N O2 S -","- C84 H84 N4 O8 S4 -","4","1","","Eccles, Kevin S.; Elcoate, Curtis J.; Stokes, Stephen P.; Maguire, Anita R.; Lawrence, Simon E.","Sulfoxides: Potent Co-Crystal Formers","Crystal Growth & Design","2010","10","10","4243","","10.1021/cg1010192","","","0.71073","MoKα","","0.0421","0.0336","","","0.0683","0.0716","","","","","","1.04","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502110","12.7162","0.0014","18.5013","0.0018","8.3747","0.0009","90","","90","","90","","1970.3","0.4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H19 N O4 S2 -","- C21 H19 N O4 S2 -","- C84 H76 N4 O16 S8 -","4","1","","Eccles, Kevin S.; Elcoate, Curtis J.; Stokes, Stephen P.; Maguire, Anita R.; Lawrence, Simon E.","Sulfoxides: Potent Co-Crystal Formers","Crystal Growth & Design","2010","10","10","4243","","10.1021/cg1010192","","","0.71073","MoKα","","0.0447","0.0358","","","0.0818","0.0862","","","","","","1.035","","","","has coordinates,has disorder","179552","2020-10-21","18:00:00",""
"4502111","18.481","0.002","12.4956","0.0014","8.496","0.001","90","","90","","90","","1962","0.4","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H21 N O3 S2 -","- C20 H21 N O3 S2 -","- C80 H84 N4 O12 S8 -","4","1","","Eccles, Kevin S.; Elcoate, Curtis J.; Stokes, Stephen P.; Maguire, Anita R.; Lawrence, Simon E.","Sulfoxides: Potent Co-Crystal Formers","Crystal Growth & Design","2010","10","10","4243","","10.1021/cg1010192","","","0.71073","MoKα","","0.041","0.0338","","","0.079","0.0827","","","","","","1.036","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502112","11.9228","0.0006","11.8475","0.0006","19.5004","0.001","90","","90","","90","","2754.5","0.2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H17 Ag N3 O2 P -","- C13 H17 Ag N3 O2 P -","- C104 H136 Ag8 N24 O16 P8 -","8","1","","Lis, Agnieszka; Guedes da Silva, M. Fátima C.; Kirillov, Alexander M.; Smoleński, Piotr; Pombeiro, Armando J. L.","Design of Silver(I)−PTA Coordination Polymers through Controlled N,P-Coordination of 1,3,5-Triaza-7-phosphaadamantane (PTA) with Arylcarboxylates","Crystal Growth & Design","2010","10","12","5244","","10.1021/cg101058x","","","0.71073","MoKα","","0.0494","0.0283","","","0.0702","0.0781","","","","","","1.032","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502113","6.9214","0.0005","23.6276","0.0019","12.1972","0.0008","90","","101.783","0.004","90","","1952.7","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H26 Ag N4 O7 P -","- C14 H26 Ag N4 O7 P -","- C56 H104 Ag4 N16 O28 P4 -","4","1","","Lis, Agnieszka; Guedes da Silva, M. Fátima C.; Kirillov, Alexander M.; Smoleński, Piotr; Pombeiro, Armando J. L.","Design of Silver(I)−PTA Coordination Polymers through Controlled N,P-Coordination of 1,3,5-Triaza-7-phosphaadamantane (PTA) with Arylcarboxylates","Crystal Growth & Design","2010","10","12","5244","","10.1021/cg101058x","","","0.71073","MoKα","","0.0482","0.0305","","","0.0687","0.0878","","","","","","1.079","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502114","6.8977","0.0012","13.917","0.003","18.161","0.003","90","","90","","90","","1743.4","0.6","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H24 Ag N4 O5 P -","- C13 H24 Ag N4 O5 P -","- C52 H96 Ag4 N16 O20 P4 -","4","1","","Lis, Agnieszka; Guedes da Silva, M. Fátima C.; Kirillov, Alexander M.; Smoleński, Piotr; Pombeiro, Armando J. L.","Design of Silver(I)−PTA Coordination Polymers through Controlled N,P-Coordination of 1,3,5-Triaza-7-phosphaadamantane (PTA) with Arylcarboxylates","Crystal Growth & Design","2010","10","12","5244","","10.1021/cg101058x","","","0.71069","MoKα","","0.0706","0.0425","","","0.0865","0.1228","","","","","","1.054","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502115","6.9593","0.0003","9.8142","0.0005","10.2972","0.0005","95.358","0.003","107.925","0.002","106.985","0.002","626.86","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H16 Ag N3 O3 P -","- C10 H16 Ag N3 O3 P -","- C20 H32 Ag2 N6 O6 P2 -","2","1","","Lis, Agnieszka; Guedes da Silva, M. Fátima C.; Kirillov, Alexander M.; Smoleński, Piotr; Pombeiro, Armando J. L.","Design of Silver(I)−PTA Coordination Polymers through Controlled N,P-Coordination of 1,3,5-Triaza-7-phosphaadamantane (PTA) with Arylcarboxylates","Crystal Growth & Design","2010","10","12","5244","","10.1021/cg101058x","","","0.71073","MoKα","","0.0207","0.0181","","","0.0442","0.0455","","","","","","1.048","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502116","5.983","0.002","7.781","0.003","12.932","0.005","90","","90","","90","","602","0.4","173","2","173","2","","","101.3","","","","","3","P 21 21 21","P 2ac 2ab","19","3,4-dicyano-1,2,5-telluradiazole","3,4-dicyano-1,2,5-telluradiazole","","- C4 N4 Te -","- C4 N4 Te -","- C16 N16 Te4 -","4","1","","Cozzolino, Anthony F.; Yang, Qin; Vargas-Baca, Ignacio","Engineering Second-Order Nonlinear Optical Activity by Means of a Noncentrosymmetric Distortion of the [Te−N]2Supramolecular Synthon","Crystal Growth & Design","2010","10","11","4959","","10.1021/cg101060s","","x-ray","0.71073","MoKα","","0.0696","0.0451","","","0.0835","0.0909","","","","","","0.987","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502117","7.5883","0.0015","7.7441","0.0015","28.008","0.006","90","","90","","90","","1645.9","0.6","173","2","173","2","","","101.3","","","","","5","P c a 21","P 2c -2ac","29","5,6-dichlorobenzo-2,1,3-telluradiazole","5,6-dichlorobenzo-2,1,3-telluradiazole","","- C6 H2 Cl2 N2 Te -","- C6 H2 Cl2 N2 Te -","- C48 H16 Cl16 N16 Te8 -","8","2","","Cozzolino, Anthony F.; Yang, Qin; Vargas-Baca, Ignacio","Engineering Second-Order Nonlinear Optical Activity by Means of a Noncentrosymmetric Distortion of the [Te−N]2Supramolecular Synthon","Crystal Growth & Design","2010","10","11","4959","","10.1021/cg101060s","","x-ray","0.71073","MoKα","","0.099","0.0614","","","0.1549","0.1698","","","","","","1.067","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502118","10.614","0.016","7.75","0.011","14.29","0.02","90","","96.82","0.02","90","","1167","3","296","2","173","2","","","101.3","","","","","5","C 1 2 1","C 2y","5","3-benzoylbenzo-2,1,3-telluradiazole","3-benzoylbenzo-2,1,3-telluradiazole","","- C13 H8 N2 O Te -","- C13 H8 N2 O Te -","- C52 H32 N8 O4 Te4 -","4","1","","Cozzolino, Anthony F.; Yang, Qin; Vargas-Baca, Ignacio","Engineering Second-Order Nonlinear Optical Activity by Means of a Noncentrosymmetric Distortion of the [Te−N]2Supramolecular Synthon","Crystal Growth & Design","2010","10","11","4959","","10.1021/cg101060s","","x-ray","0.71073","MoKα","","0.1004","0.069","","","0.1344","0.1452","","","","","","1.133","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4502119","13.151","0.002","7.9995","0.0013","18.864","0.003","90","","95.464","0.004","90","","1975.5","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Cu N4 O8 -","- C20 H14 Cu N4 O8 -","- C80 H56 Cu4 N16 O32 -","4","1","","Adarsh, N. N.; Sahoo, Pathik; Dastidar, Parthasarathi","Is a Crystal Engineering Approach Useful in Designing Metallogels? A Case Study","Crystal Growth & Design","2010","10","11","4976","","10.1021/cg101078f","","","0.71073","MoKα","","0.0531","0.0397","","","0.1058","0.1139","","","","","","1.069","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502120","9.282","0.012","26.13","0.03","9.799","0.012","90","","109.55","0.03","90","","2240","5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 Cu N4 O9 -","- C20 H14 Cu N4 O9 -","- C80 H56 Cu4 N16 O36 -","4","0.5","","Adarsh, N. N.; Sahoo, Pathik; Dastidar, Parthasarathi","Is a Crystal Engineering Approach Useful in Designing Metallogels? A Case Study","Crystal Growth & Design","2010","10","11","4976","","10.1021/cg101078f","","","0.71073","MoKα","","0.0683","0.0517","","","0.1379","0.1456","","","","","","1.132","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502121","13.156","0.004","7.855","0.002","19.135","0.005","90","","92.521","0.004","90","","1975.5","0.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 Cu N4 O7 -","- C21 H16 Cu N4 O7 -","- C84 H64 Cu4 N16 O28 -","4","1","","Adarsh, N. N.; Sahoo, Pathik; Dastidar, Parthasarathi","Is a Crystal Engineering Approach Useful in Designing Metallogels? A Case Study","Crystal Growth & Design","2010","10","11","4976","","10.1021/cg101078f","","","0.71073","MoKα","","0.0608","0.0498","","","0.1322","0.1388","","","","","","1.053","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502122","10.842","0.002","16.505","0.003","14.595","0.003","90","","107.125","0.003","90","","2495.9","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 Cu N4 O9 -","- C26 H24 Cu N4 O9 -","- C104 H96 Cu4 N16 O36 -","4","1","","Adarsh, N. N.; Sahoo, Pathik; Dastidar, Parthasarathi","Is a Crystal Engineering Approach Useful in Designing Metallogels? A Case Study","Crystal Growth & Design","2010","10","11","4976","","10.1021/cg101078f","","","0.71073","MoKα","","0.0537","0.0359","","","0.0822","0.0896","","","","","","1.04","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502123","12.1211","0.0005","13.0168","0.0005","14.4926","0.0005","108.003","0.001","98.586","0.001","106.562","0.001","2012.52","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H42 Cu N6 O12 -","- C36 H36 Cu N6 O9 -","- C72 H72 Cu2 N12 O18 -","2","1","","Adarsh, N. N.; Sahoo, Pathik; Dastidar, Parthasarathi","Is a Crystal Engineering Approach Useful in Designing Metallogels? A Case Study","Crystal Growth & Design","2010","10","11","4976","","10.1021/cg101078f","","","0.71073","MoKα","","0.0502","0.0389","","","0.0746","0.0781","","","","","","1.033","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502124","5.883","0.003","8.621","0.004","12.088","0.006","84.727","0.005","76.275","0.005","82.535","0.005","589.3","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Co N4 O7 -","- C21 H14 Co N4 O7 -","- C21 H14 Co N4 O7 -","1","0.5","","Adarsh, N. N.; Sahoo, Pathik; Dastidar, Parthasarathi","Is a Crystal Engineering Approach Useful in Designing Metallogels? A Case Study","Crystal Growth & Design","2010","10","11","4976","","10.1021/cg101078f","","","0.71073","MoKα","","0.1725","0.1582","","","0.394","0.4078","","","","","","1.369","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502125","6.344","0.003","9.287","0.004","16.008","0.008","99","0.005","96.824","0.006","102.66","0.006","897.3","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 Co N2 O8 -","- C17 H17 Co N2 O8 -","- C34 H34 Co2 N4 O16 -","2","1","","Adarsh, N. N.; Sahoo, Pathik; Dastidar, Parthasarathi","Is a Crystal Engineering Approach Useful in Designing Metallogels? A Case Study","Crystal Growth & Design","2010","10","11","4976","","10.1021/cg101078f","","","0.71073","MoKα","","0.0427","0.035","","","0.0911","0.0958","","","","","","1.056","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502126","7.8795","0.0009","10.7189","0.0013","15.1024","0.0018","88.642","0.009","81.54","0.009","71.011","0.009","1192.6","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H31 Cl N4 Ni O6 -","- C19 H31 Cl N4 Ni O6 -","- C38 H62 Cl2 N8 Ni2 O12 -","2","1","","Ge, Ying-Ying; Li, Guo-Bi; Fang, Hua-Cai; Zhan, Xu-Lin; Gu, Zhi-Gang; Chen, Jin-Hao; Sun, Feng; Cai, Yue-Peng; Thallapally, Praveen K.","Auxiliary Ligand-Dependent Assembly of Several Ni/Ni−Cd Compounds with N2O2Donor Tetradentate Symmetrical Schiff Base Ligand","Crystal Growth & Design","2010","10","11","4987","","10.1021/cg101082t","","","0.71073","MoKα","","0.1199","0.0618","","","0.1659","0.2048","","","","","","1.06","","","","has coordinates,has disorder","179552","2020-10-21","18:00:00",""
"4502127","7.2403","0.0006","8.5435","0.0008","8.9865","0.0007","68.722","0.006","79.451","0.006","81.852","0.007","507.51","0.08","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C14 H26 Cl N5 O7 -","- C14 H26 Cl N5 O7 -","- C14 H26 Cl N5 O7 -","1","1","","Ge, Ying-Ying; Li, Guo-Bi; Fang, Hua-Cai; Zhan, Xu-Lin; Gu, Zhi-Gang; Chen, Jin-Hao; Sun, Feng; Cai, Yue-Peng; Thallapally, Praveen K.","Auxiliary Ligand-Dependent Assembly of Several Ni/Ni−Cd Compounds with N2O2Donor Tetradentate Symmetrical Schiff Base Ligand","Crystal Growth & Design","2010","10","11","4987","","10.1021/cg101082t","","","0.71073","MoKα","","0.0837","0.0572","","","0.1484","0.1689","","","","","","1.049","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502128","7.8672","0.0003","8.5279","0.0001","16.0361","0.0004","77.565","0.002","79.599","0.003","71.872","0.002","990.98","0.05","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H44 Cl2 N6 Ni2 O12 -","- C34 H44 Cl2 N6 Ni2 O12 -","- C34 H44 Cl2 N6 Ni2 O12 -","1","0.5","","Ge, Ying-Ying; Li, Guo-Bi; Fang, Hua-Cai; Zhan, Xu-Lin; Gu, Zhi-Gang; Chen, Jin-Hao; Sun, Feng; Cai, Yue-Peng; Thallapally, Praveen K.","Auxiliary Ligand-Dependent Assembly of Several Ni/Ni−Cd Compounds with N2O2Donor Tetradentate Symmetrical Schiff Base Ligand","Crystal Growth & Design","2010","10","11","4987","","10.1021/cg101082t","","","0.71073","MoKα","","0.0655","0.0591","","","0.1738","0.1805","","","","","","1.06","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502129","7.5202","0.0009","8.3259","0.0011","15.867","0.002","78.408","0.007","82.447","0.01","70.757","0.006","916.5","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H44 N8 Ni2 O10 -","- C34 H44 N8 Ni2 O10 -","- C34 H44 N8 Ni2 O10 -","1","0.5","","Ge, Ying-Ying; Li, Guo-Bi; Fang, Hua-Cai; Zhan, Xu-Lin; Gu, Zhi-Gang; Chen, Jin-Hao; Sun, Feng; Cai, Yue-Peng; Thallapally, Praveen K.","Auxiliary Ligand-Dependent Assembly of Several Ni/Ni−Cd Compounds with N2O2Donor Tetradentate Symmetrical Schiff Base Ligand","Crystal Growth & Design","2010","10","11","4987","","10.1021/cg101082t","","","0.71073","MoKα","","0.0704","0.0589","","","0.1646","0.1745","","","","","","1.076","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502130","17.1062","0.0018","13.8465","0.0014","8.1502","0.0008","90","","110.207","0.007","90","","1811.6","0.3","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Cd N4 Ni O2 S2 -","- C14 H18 Cd N4 Ni O2 S2 -","- C56 H72 Cd4 N16 Ni4 O8 S8 -","4","0.5","","Ge, Ying-Ying; Li, Guo-Bi; Fang, Hua-Cai; Zhan, Xu-Lin; Gu, Zhi-Gang; Chen, Jin-Hao; Sun, Feng; Cai, Yue-Peng; Thallapally, Praveen K.","Auxiliary Ligand-Dependent Assembly of Several Ni/Ni−Cd Compounds with N2O2Donor Tetradentate Symmetrical Schiff Base Ligand","Crystal Growth & Design","2010","10","11","4987","","10.1021/cg101082t","","","0.71073","MoKα","","0.0405","0.0287","","","0.066","0.0711","","","","","","1.038","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502131","11.6917","0.0013","11.7384","0.0014","14.85","0.0015","68.876","0.007","85.576","0.007","61.825","0.007","1665.1","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 Cd2 N16 Ni2 O4 -","- C24 H36 Cd2 N16 Ni2 O4 -","- C48 H72 Cd4 N32 Ni4 O8 -","2","1","","Ge, Ying-Ying; Li, Guo-Bi; Fang, Hua-Cai; Zhan, Xu-Lin; Gu, Zhi-Gang; Chen, Jin-Hao; Sun, Feng; Cai, Yue-Peng; Thallapally, Praveen K.","Auxiliary Ligand-Dependent Assembly of Several Ni/Ni−Cd Compounds with N2O2Donor Tetradentate Symmetrical Schiff Base Ligand","Crystal Growth & Design","2010","10","11","4987","","10.1021/cg101082t","","","0.71073","MoKα","","0.0939","0.0731","","","0.1941","0.2043","","","","","","1.006","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502132","11.5703","0.0005","9.8865","0.0004","13.97","0.0009","90","","109.966","0.0016","90","","1501.98","0.13","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H24 Co N8 -","- C40 H24 Co N8 -","- C80 H48 Co2 N16 -","2","0.5","","Lipstman, Sophia; Goldberg, Israel","Supramolecular Crystal Chemistry of Tetra(3-pyridyl)porphyrin. 2. Two- and Three-Dimensional Coordination Networks with Cobalt and Cadmium Ions","Crystal Growth & Design","2010","10","11","5001","","10.1021/cg1011007","","","0.71073","MoKα","","0.0888","0.0645","","","0.1237","0.1339","","","","","","1.096","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502133","29.6174","0.001","9.5015","0.0003","14.1841","0.0005","90","","109.529","0.0016","90","","3761.9","0.2","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H38 Co N10 O2 -","- C46 H38 Co N10 O2 -","- C184 H152 Co4 N40 O8 -","4","0.5","","Lipstman, Sophia; Goldberg, Israel","Supramolecular Crystal Chemistry of Tetra(3-pyridyl)porphyrin. 2. Two- and Three-Dimensional Coordination Networks with Cobalt and Cadmium Ions","Crystal Growth & Design","2010","10","11","5001","","10.1021/cg1011007","","","0.71073","MoKα","","0.1464","0.0598","","","0.1052","0.1286","","","","","","0.946","","","","has coordinates,has disorder","179552","2020-10-21","18:00:00",""
"4502134","15.2583","0.0003","14.7895","0.0003","15.5834","0.0005","90","","90","","90","","3516.59","0.15","110","2","110","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C20 H12.89 Cd0.56 Cl N4 -","- C20 H12.89 Cd0.555 Cl N4 -","- C160 H103.12 Cd4.44 Cl8 N32 -","8","1","","Lipstman, Sophia; Goldberg, Israel","Supramolecular Crystal Chemistry of Tetra(3-pyridyl)porphyrin. 2. Two- and Three-Dimensional Coordination Networks with Cobalt and Cadmium Ions","Crystal Growth & Design","2010","10","11","5001","","10.1021/cg1011007","","","0.71073","MoKα","","0.1342","0.062","","","0.149","0.1795","","","","","","0.965","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502135","26.067","0.0002","21.1688","0.0006","7.6354","0.0007","90","","90","","90","","4213.3","0.4","110","2","110","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C41 H24 Cd2 Cl2 N8 O -","- C41 H24 Cd2 Cl2 N8 O -","- C164 H96 Cd8 Cl8 N32 O4 -","4","0.5","","Lipstman, Sophia; Goldberg, Israel","Supramolecular Crystal Chemistry of Tetra(3-pyridyl)porphyrin. 2. Two- and Three-Dimensional Coordination Networks with Cobalt and Cadmium Ions","Crystal Growth & Design","2010","10","11","5001","","10.1021/cg1011007","","","0.71073","MoKα","","0.0722","0.0477","","","0.115","0.1227","","","","","","1.051","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502136","15.0113","0.0003","15.0113","0.0003","17.3605","0.0004","90","","90","","90","","3912","0.14","110","2","110","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C40 H24 Br4 Cu5 N8 -","- C40 H24 Br4 Cu5 N8 -","- C160 H96 Br16 Cu20 N32 -","4","0.25","","Lipstman, Sophia; Goldberg, Israel","Supramolecular Crystal Chemistry of Tetra(3-pyridyl)porphyrin. 2. Two- and Three-Dimensional Coordination Networks with Cobalt and Cadmium Ions","Crystal Growth & Design","2010","10","11","5001","","10.1021/cg1011007","","","0.71073","MoKα","","0.0531","0.0379","","","0.0965","0.1028","","","","","","1.101","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502137","9.443","0.0004","10.8755","0.0005","11.0869","0.0004","90","","108.809","0.002","90","","1077.79","0.08","153.1","","153","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H31 B N2 O2 -","- C22 H31 B N2 O2 -","- C44 H62 B2 N4 O4 -","2","1","","Hisaki, Ichiro; Shizuki, Norie; Sasaki, Toshiyuki; Ito, Yuka; Tohnai, Norimitsu; Miyata, Mikiji","Handedness Determination of 21Helical Motifs and Hierarchical Analysis of Crystal Structures Based on the Motifs: The Case of Cinchona Alkaloid Derivatives","Crystal Growth & Design","2010","10","12","5262","","10.1021/cg101111f","","","1.54187","CuKα","","","0.0537","","","","0.1332","","","","","","1.094","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502138","9.1793","0.0003","11.524","0.0003","15.7571","0.0004","90","","90","","90","","1666.82","0.08","213.1","","213","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 B N2 O -","- C19 H25 B N2 O -","- C76 H100 B4 N8 O4 -","4","1","","Hisaki, Ichiro; Shizuki, Norie; Sasaki, Toshiyuki; Ito, Yuka; Tohnai, Norimitsu; Miyata, Mikiji","Handedness Determination of 21Helical Motifs and Hierarchical Analysis of Crystal Structures Based on the Motifs: The Case of Cinchona Alkaloid Derivatives","Crystal Growth & Design","2010","10","12","5262","","10.1021/cg101111f","","","1.54187","CuKα","","","0.0485","","","","0.1138","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502139","9.58186","0.00017","10.5699","0.00019","10.40266","0.00019","90","","114.615","0.0009","90","","957.83","0.03","153.1","","153","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H29 B N2 O2 -","- C20 H29 B N2 O2 -","- C40 H58 B2 N4 O4 -","2","1","","Hisaki, Ichiro; Shizuki, Norie; Sasaki, Toshiyuki; Ito, Yuka; Tohnai, Norimitsu; Miyata, Mikiji","Handedness Determination of 21Helical Motifs and Hierarchical Analysis of Crystal Structures Based on the Motifs: The Case of Cinchona Alkaloid Derivatives","Crystal Growth & Design","2010","10","12","5262","","10.1021/cg101111f","","","1.54187","CuKα","","","0.0415","","","","0.102","","","","","","1.091","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502140","26.5157","0.0005","26.5157","0.0005","7.59654","0.00018","90","","90","","120","","4625.44","0.17","153.1","","153","","","","","","","","","5","R 3 :H","R 3","146","","","","- C20 H31 B N2 O3 -","- C20 H31 B N2 O3 -","- C180 H279 B9 N18 O27 -","9","1","","Hisaki, Ichiro; Shizuki, Norie; Sasaki, Toshiyuki; Ito, Yuka; Tohnai, Norimitsu; Miyata, Mikiji","Handedness Determination of 21Helical Motifs and Hierarchical Analysis of Crystal Structures Based on the Motifs: The Case of Cinchona Alkaloid Derivatives","Crystal Growth & Design","2010","10","12","5262","","10.1021/cg101111f","","","1.54187","CuKα","","","0.0501","","","","0.1435","","","","","","1.109","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502141","9.6059","0.0002","11.0417","0.0003","18.1746","0.0004","90","","91.8651","0.0015","90","","1926.68","0.08","153.1","","153","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H27 B N2 O2 -","- C20 H27 B N2 O2 -","- C80 H108 B4 N8 O8 -","4","2","","Hisaki, Ichiro; Shizuki, Norie; Sasaki, Toshiyuki; Ito, Yuka; Tohnai, Norimitsu; Miyata, Mikiji","Handedness Determination of 21Helical Motifs and Hierarchical Analysis of Crystal Structures Based on the Motifs: The Case of Cinchona Alkaloid Derivatives","Crystal Growth & Design","2010","10","12","5262","","10.1021/cg101111f","","","1.54187","CuKα","","","0.0489","","","","0.1467","","","","","","1.11","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502142","26.3708","0.0008","26.3708","0.0008","7.4637","0.0003","90","","90","","120","","4495","0.3","123.1","","153","","","","","","","","","5","R 3 :H","R 3","146","","","","- C20.5 H29 B N2 O2.5 -","- C20.5 H29 B N2 O2.5 -","- C184.5 H261 B9 N18 O22.5 -","9","1","","Hisaki, Ichiro; Shizuki, Norie; Sasaki, Toshiyuki; Ito, Yuka; Tohnai, Norimitsu; Miyata, Mikiji","Handedness Determination of 21Helical Motifs and Hierarchical Analysis of Crystal Structures Based on the Motifs: The Case of Cinchona Alkaloid Derivatives","Crystal Growth & Design","2010","10","12","5262","","10.1021/cg101111f","","","1.54187","CuKα","","","0.057","","","","0.1704","","","","","","1.102","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502143","19.11","0.0017","9.624","0.0009","16.693","0.0018","90","0.01","106.69","0.009","90","0.01","2940.8","0.5","293","2","293","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","amlodipine besylate dihydrate","","","- C26 H35 Cl N2 O10 S -","- C26 H35 Cl N2 O10 S -","- C104 H140 Cl4 N8 O40 S4 -","4","1","","Koradia, Vishal; Lopez de Diego, Heidi; Frydenvang, Karla; Ringkjøbing-Elema, Michiel; Müllertz, Anette; Bond, Andrew D.; Rantanen, Jukka","Solid Forms of Amlodipine Besylate: Physicochemical, Structural, and Thermodynamic Characterization","Crystal Growth & Design","2010","10","12","5279","","10.1021/cg101127z","","","0.7107","MoKα","","0.0534","0.0425","","","0.1106","0.1224","","","","","","1.054","","","","has coordinates,has disorder","179552","2020-10-21","18:00:00",""
"4502144","18.892","0.002","9.507","0.0006","16.357","0.003","90","","105.285","0.012","90","","2833.9","0.6","122","1","122","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","amlodipine besylate dihydrate","","","- C26 H35 Cl N2 O10 S -","- C26 H35 Cl N2 O10 S -","- C104 H140 Cl4 N8 O40 S4 -","4","1","","Koradia, Vishal; Lopez de Diego, Heidi; Frydenvang, Karla; Ringkjøbing-Elema, Michiel; Müllertz, Anette; Bond, Andrew D.; Rantanen, Jukka","Solid Forms of Amlodipine Besylate: Physicochemical, Structural, and Thermodynamic Characterization","Crystal Growth & Design","2010","10","12","5279","","10.1021/cg101127z","","","0.71073","MoKα","","0.0528","0.0327","","","0.0822","0.0894","","","","","","1.031","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502145","17.689","0.002","17.533","0.007","36.843","0.011","90","","90.182","0.017","90","","11426","6","298","","","","","","","","","","","6","C 1 c 1","C -2yc","9","Amlodipine besylate monohydrate","","","- C26 H33 Cl N2 O9 S -","- C26 Cl N2 O9 S -","- C416 Cl16 N32 O144 S16 -","16","4","","Koradia, Vishal; Lopez de Diego, Heidi; Frydenvang, Karla; Ringkjøbing-Elema, Michiel; Müllertz, Anette; Bond, Andrew D.; Rantanen, Jukka","Solid Forms of Amlodipine Besylate: Physicochemical, Structural, and Thermodynamic Characterization","Crystal Growth & Design","2010","10","12","5279","","10.1021/cg101127z","","","","","","","","","","","","","","","","","","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502146","19.3447","0.0009","8.9864","0.0005","9.2291","0.0005","90","","95.75","0.005","90","","1596.31","0.15","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H42 N4 O8 Zn -","- C30 H42 N4 O8 Zn -","- C60 H84 N8 O16 Zn2 -","2","0.5","","Huang, Qian; Yu, Jiancan; Gao, Junkuo; Rao, Xingtang; Yang, Xiuli; Cui, Yuanjing; Wu, Chuande; Zhang, Zhangjing; Xiang, Shengchang; Chen, Banglin; Qian, Guodong","Two Chiral Nonlinear Optical Coordination Networks Based on Interwoven Two-Dimensional Square Grids of Double Helices","Crystal Growth & Design","2010","10","12","5291","","10.1021/cg101135r","","","0.71073","MoKα","","0.0401","0.034","","","0.0447","0.0455","","","","","","1.036","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4502147","19.893","0.0007","9.0654","0.0003","9.4049","0.0003","90","","99.598","0.003","90","","1672.32","0.1","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H42 Cd N4 O8 -","- C30 H42 Cd N4 O8 -","- C60 H84 Cd2 N8 O16 -","2","0.5","","Huang, Qian; Yu, Jiancan; Gao, Junkuo; Rao, Xingtang; Yang, Xiuli; Cui, Yuanjing; Wu, Chuande; Zhang, Zhangjing; Xiang, Shengchang; Chen, Banglin; Qian, Guodong","Two Chiral Nonlinear Optical Coordination Networks Based on Interwoven Two-Dimensional Square Grids of Double Helices","Crystal Growth & Design","2010","10","12","5291","","10.1021/cg101135r","","","0.71073","MoKα","","0.0204","0.0203","","","0.041","0.041","","","","","","1.014","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4502148","42.858","0.003","6.0745","0.0003","23.1726","0.0011","90","","90","","90","","6032.8","0.6","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","4-benzylphenol","","","- C13 H12 O -","- C13 H12 O -","- C312 H288 O24 -","24","6","","Martin, Adam D.; Hartlieb, Karel J.; Sobolev, Alexandre N.; Raston, Colin L.","Hirshfeld Surface Analysis of Substituted Phenols","Crystal Growth & Design","2010","10","12","5302","","10.1021/cg1011605","","","1.54178","CuKα","","0.0679","0.0524","","","0.1324","0.1451","","","","","","1.006","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502149","9.547","0.007","11.459","0.004","12.227","0.006","75.44","0.03","89.25","0.05","71.88","0.04","1227.4","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2,2'-methylenebis(4-nitrophenol)","","- C13 H10 N2 O6 -","- C13 H10 N2 O6 -","- C52 H40 N8 O24 -","4","2","","Martin, Adam D.; Hartlieb, Karel J.; Sobolev, Alexandre N.; Raston, Colin L.","Hirshfeld Surface Analysis of Substituted Phenols","Crystal Growth & Design","2010","10","12","5302","","10.1021/cg1011605","","","1.54178","CuKα","","0.139","0.0553","","","0.0984","0.1106","","","","","","1.002","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502150","6.2213","0.0002","11.9145","0.0004","37.398","0.001","98.779","0.003","93.944","0.002","93.235","0.002","2726.81","0.15","100","2","100","2","","","","","","","","3","P -1","-P 1","2","para-butylphenol","4-t-butylphenol","","- C10 H14 O -","- C10 H14 O -","- C120 H168 O12 -","12","6","","Martin, Adam D.; Hartlieb, Karel J.; Sobolev, Alexandre N.; Raston, Colin L.","Hirshfeld Surface Analysis of Substituted Phenols","Crystal Growth & Design","2010","10","12","5302","","10.1021/cg1011605","","","0.71073","MoKα","","0.0933","0.0559","","","0.1458","0.1611","","","","","","1.001","","","","has coordinates,has disorder","179552","2020-10-21","18:00:00",""
"4502151","15.42","0.005","15.842","0.003","17.819","0.003","112.763","0.002","112.203","0.003","95.425","0.003","3565.4","1.5","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C99 H72 Cd6 O42 -","- C99 H72 Cd6 O42 -","- C99 H72 Cd6 O42 -","1","1","","Tian, Jian; Motkuri, Radha Kishan; Thallapally, Praveen K.; McGrail, B. Peter","Metal−Organic Framework Isomers with Diamondoid Networks Constructed of a Semirigid Tetrahedral Linker","Crystal Growth & Design","2010","10","12","5327","","10.1021/cg101222w","","","0.71073","MoKα","","0.0496","0.0452","","","0.1114","0.1144","","","","","","0.994","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502152","13.346","0.0011","16.1864","0.0013","17.7807","0.0015","112.598","0.003","107.375","0.003","97.625","0.003","3248.1","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H24 Cd2 O14 -","- C33 H24 Cd2 O14 -","- C66 H48 Cd4 O28 -","2","1","","Tian, Jian; Motkuri, Radha Kishan; Thallapally, Praveen K.; McGrail, B. Peter","Metal−Organic Framework Isomers with Diamondoid Networks Constructed of a Semirigid Tetrahedral Linker","Crystal Growth & Design","2010","10","12","5327","","10.1021/cg101222w","","","0.71073","MoKα","","0.1053","0.0787","","","0.2219","0.2485","","","","","","1.189","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502153","19.517","0.004","17.306","0.004","18.722","0.004","90","","90","","90","","6324","2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C33 H24 Cd2 O15 -","- C33 H24 Cd2 O15 -","- C132 H96 Cd8 O60 -","4","1","","Tian, Jian; Motkuri, Radha Kishan; Thallapally, Praveen K.; McGrail, B. Peter","Metal−Organic Framework Isomers with Diamondoid Networks Constructed of a Semirigid Tetrahedral Linker","Crystal Growth & Design","2010","10","12","5327","","10.1021/cg101222w","","","0.71073","MoKα","","0.0417","0.0347","","","0.09","0.0927","","","","","","1.026","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502154","23.646","0.005","12.93","0.003","28.107","0.006","90","","110.08","0.03","90","","8071","3","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H96 Ag6 Cu3 N18 O27 S6 -","- C48 H96 Ag6 Cu3 N18 O27 S6 -","- C192 H384 Ag24 Cu12 N72 O108 S24 -","4","0.5","","Sun, Di; Wang, Dan-Feng; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","Nonamer Water Cluster Encapsulated in a Heterometallic Supramolecular Complex","Crystal Growth & Design","2010","10","12","5031","","10.1021/cg101225j","","","0.71073","MoKα","","0.0301","0.0259","","","0.0612","0.0635","","","","","","1.025","","","","has coordinates,has disorder","179552","2020-10-21","18:00:00",""
"4502155","8.6559","0.0006","9.8012","0.0005","10.0969","0.0006","92.333","0.003","111.371","0.004","96.598","0.004","789.26","0.09","95","2","95","2","","","","","","","","4","P -1","-P 1","2","TNT : naphthalene","2,4,6-trinitrotoluene : naphthalene","","- C17 H13 N3 O6 -","- C17 H13 N3 O6 -","- C34 H26 N6 O12 -","2","1","","Landenberger, Kira B.; Matzger, Adam J.","Cocrystal Engineering of a Prototype Energetic Material: Supramolecular Chemistry of 2,4,6-Trinitrotoluene","Crystal Growth & Design","2010","10","12","5341","","10.1021/cg101300n","","","1.54187","CuKα","","0.0439","0.0382","","","0.1099","0.1201","","","","","","1.109","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502156","7.2538","0.0003","7.7969","0.0003","14.8572","0.0005","91.504","0.003","92.976","0.002","98.164","0.003","830.16","0.05","95","2","95","2","","","","","","","","5","P -1","-P 1","2","TNT : 1-bromonaphthalene","2,4,6-trinitrotoluene : 1-bromonaphthalene","","- C17 H12 Br N3 O6 -","- C17 H12 Br N3 O6 -","- C34 H24 Br2 N6 O12 -","2","1","","Landenberger, Kira B.; Matzger, Adam J.","Cocrystal Engineering of a Prototype Energetic Material: Supramolecular Chemistry of 2,4,6-Trinitrotoluene","Crystal Growth & Design","2010","10","12","5341","","10.1021/cg101300n","","","1.54187","CuKα","","0.0644","0.058","","","0.1723","0.1917","","","","","","1.235","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502157","14.005","0.0003","6.72457","0.00016","19.4127","0.0005","90","","103.538","0.002","90","","1777.44","0.07","95","2","95","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TNT : anthracene","2,4,6-trinitrotoluene : anthracene","","- C21 H15 N3 O6 -","- C21 H15 N3 O6 -","- C84 H60 N12 O24 -","4","1","","Landenberger, Kira B.; Matzger, Adam J.","Cocrystal Engineering of a Prototype Energetic Material: Supramolecular Chemistry of 2,4,6-Trinitrotoluene","Crystal Growth & Design","2010","10","12","5341","","10.1021/cg101300n","","","1.54187","CuKα","","0.0768","0.0455","","","0.1114","0.1477","","","","","","1.059","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502158","6.7461","0.0002","8.61691","0.00019","17.4999","0.0004","77.321","0.002","78.007","0.002","76.819","0.002","952.91","0.04","95","2","95","2","","","","","","","","5","P -1","-P 1","2","TNT : 9-bromoanthracene","2,4,6-trinitrotoluene : 9-bromoanthracene","","- C21 H14 Br N3 O6 -","- C21 H14 Br N3 O6 -","- C42 H28 Br2 N6 O12 -","2","1","","Landenberger, Kira B.; Matzger, Adam J.","Cocrystal Engineering of a Prototype Energetic Material: Supramolecular Chemistry of 2,4,6-Trinitrotoluene","Crystal Growth & Design","2010","10","12","5341","","10.1021/cg101300n","","","1.54187","CuKα","","0.043","0.0381","","","0.0932","0.1046","","","","","","1.123","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502159","7.07587","0.00016","9.2294","0.0002","27.7299","0.0007","90","","90","","90","","1810.93","0.07","95","2","95","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","TNT : phenanthrene","2,4,6-trinitrotoluene : phenanthrene","","- C21 H15 N3 O6 -","- C21 H15 N3 O6 -","- C84 H60 N12 O24 -","4","1","","Landenberger, Kira B.; Matzger, Adam J.","Cocrystal Engineering of a Prototype Energetic Material: Supramolecular Chemistry of 2,4,6-Trinitrotoluene","Crystal Growth & Design","2010","10","12","5341","","10.1021/cg101300n","","","1.54187","CuKα","","0.1001","0.0876","","","0.2273","0.2412","","","","","","1.096","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502160","7.19649","0.00017","7.98291","0.00018","36.206","0.003","90","","90","","90","","2080","0.19","95","2","95","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","TNT : perylene","2,4,6-trinitrotoluene : perylene","","- C27 H17 N3 O6 -","- C27 H17 N3 O6 -","- C108 H68 N12 O24 -","4","1","","Landenberger, Kira B.; Matzger, Adam J.","Cocrystal Engineering of a Prototype Energetic Material: Supramolecular Chemistry of 2,4,6-Trinitrotoluene","Crystal Growth & Design","2010","10","12","5341","","10.1021/cg101300n","","","1.54187","CuKα","","0.1782","0.0832","","","0.1612","0.2416","","","","","","1.103","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502161","8.39611","0.00015","9.4221","0.00019","11.4671","0.0002","86.417","0.001","69.553","0.001","81.034","0.001","839.58","0.03","95","2","95","2","","","","","","","","5","P -1","-P 1","2","TNT : TTF","2,4,6-trinitrotoluene : tetrathiafulvalene","","- C13 H9 N3 O6 S4 -","- C13 H9 N3 O6 S4 -","- C26 H18 N6 O12 S8 -","2","1","","Landenberger, Kira B.; Matzger, Adam J.","Cocrystal Engineering of a Prototype Energetic Material: Supramolecular Chemistry of 2,4,6-Trinitrotoluene","Crystal Growth & Design","2010","10","12","5341","","10.1021/cg101300n","","","1.54187","CuKα","","0.0294","0.027","","","0.0694","0.0747","","","","","","1.056","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502162","6.81044","0.00018","9.264","0.0003","12.7021","0.0004","95.909","0.002","91.239","0.002","113.853","0.002","727.29","0.04","95","2","95","2","","","","","","","","5","P -1","-P 1","2","TNT : thieno[3,2-b]thiophene","2,4,6-trinitrotoluene : thieno[3,2-b]thiophene","","- C13 H9 N3 O6 S2 -","- C13 H9 N3 O6 S2 -","- C26 H18 N6 O12 S4 -","2","1","","Landenberger, Kira B.; Matzger, Adam J.","Cocrystal Engineering of a Prototype Energetic Material: Supramolecular Chemistry of 2,4,6-Trinitrotoluene","Crystal Growth & Design","2010","10","12","5341","","10.1021/cg101300n","","","1.54187","CuKα","","0.0407","0.0372","","","0.12","0.1324","","","","","","1.189","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502163","7.4869","0.0004","9.1121","0.0004","26.5398","0.0019","90","","90","","90","","1810.58","0.18","95","2","95","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","TNT : phenothiazine","2,4,6-trinitrotoluene : phenothiazine","","- C19 H14 N4 O6 S -","- C19 H14 N4 O6 S -","- C76 H56 N16 O24 S4 -","4","1","","Landenberger, Kira B.; Matzger, Adam J.","Cocrystal Engineering of a Prototype Energetic Material: Supramolecular Chemistry of 2,4,6-Trinitrotoluene","Crystal Growth & Design","2010","10","12","5341","","10.1021/cg101300n","","","1.54187","CuKα","","0.1761","0.0894","","","0.188","0.2484","","","","","","1.223","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502164","9.09248","0.00016","7.17969","0.00018","54.4492","0.001","90","","95.72","0.001","90","","3536.81","0.13","95","2","95","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","TNT : dibenzothiophene","2,4,6-trinitrotoluene : dibenzothiophene","","- C19 H13 N3 O6 S -","- C19 H13 N3 O6 S -","- C152 H104 N24 O48 S8 -","8","2","","Landenberger, Kira B.; Matzger, Adam J.","Cocrystal Engineering of a Prototype Energetic Material: Supramolecular Chemistry of 2,4,6-Trinitrotoluene","Crystal Growth & Design","2010","10","12","5341","","10.1021/cg101300n","","","1.54187","CuKα","","0.0774","0.0592","","","0.152","0.1663","","","","","","1.056","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502165","7.22567","0.00018","9.3056","0.0002","15.1173","0.0003","104.542","0.001","96.879","0.001","91.376","0.001","975.28","0.04","95","2","95","2","","","","","","","","5","P -1","-P 1","2","TNT : 4,6-dimethyldibenzothiophene","2,4,6-trinitrotoluene : 4,6-dimethyldibenzothiophene","","- C21 H17 N3 O6 S -","- C21 H17 N3 O6 S -","- C42 H34 N6 O12 S2 -","2","1","","Landenberger, Kira B.; Matzger, Adam J.","Cocrystal Engineering of a Prototype Energetic Material: Supramolecular Chemistry of 2,4,6-Trinitrotoluene","Crystal Growth & Design","2010","10","12","5341","","10.1021/cg101300n","","","1.54187","CuKα","","0.0801","0.0592","","","0.1551","0.185","","","","","","1.07","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502166","19.0408","0.0013","6.66738","0.00012","11.1188","0.0002","90","","90","","90","","1411.56","0.1","95","2","95","2","","","","","","","","4","P n a 21","P 2c -2n","33","TNT : 1,2-phenylenediamine","2,4,6-trinitrotoluene : 1,2-phenylenediamine","","- C13 H13 N5 O6 -","- C13 H13 N5 O6 -","- C52 H52 N20 O24 -","4","1","","Landenberger, Kira B.; Matzger, Adam J.","Cocrystal Engineering of a Prototype Energetic Material: Supramolecular Chemistry of 2,4,6-Trinitrotoluene","Crystal Growth & Design","2010","10","12","5341","","10.1021/cg101300n","","","1.54187","CuKα","","0.0363","0.0336","","","0.1002","0.1134","","","","","","0.981","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502167","6.6019","0.0008","28.237","0.003","8.6743","0.0008","90","","91.197","0.007","90","","1616.7","0.3","95","2","95","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","TNT : 1,4-dimethoxybenzene","2,4,6-trinitrotoluene : 1,4-dimethoxybenzene","","- C15 H15 N3 O8 -","- C15 H15 N3 O8 -","- C60 H60 N12 O32 -","4","1","","Landenberger, Kira B.; Matzger, Adam J.","Cocrystal Engineering of a Prototype Energetic Material: Supramolecular Chemistry of 2,4,6-Trinitrotoluene","Crystal Growth & Design","2010","10","12","5341","","10.1021/cg101300n","","","1.54187","CuKα","","0.0922","0.0647","","","0.1688","0.2035","","","","","","1.032","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502168","6.90525","0.00018","14.1124","0.0003","15.7976","0.0011","90","","93.559","0.007","90","","1536.5","0.12","95","2","95","2","","","","","","","","4","P 1 21 1","P 2yb","4","TNT : 4-aminobenzoic acid","2,4,6-trinitrotoluene : 4-aminobenzoic acid","","- C14 H12 N4 O8 -","- C14 H12 N4 O8 -","- C56 H48 N16 O32 -","4","2","","Landenberger, Kira B.; Matzger, Adam J.","Cocrystal Engineering of a Prototype Energetic Material: Supramolecular Chemistry of 2,4,6-Trinitrotoluene","Crystal Growth & Design","2010","10","12","5341","","10.1021/cg101300n","","","1.54187","CuKα","","0.0904","0.0577","","","0.1277","0.1806","","","","","","1.113","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502169","10.5492","0.0004","14.442","0.0005","14.7554","0.0006","90","","101.061","0.002","90","","2206.25","0.15","95","2","95","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TNT : 4-aminobenzoic acid","2,4,6-trinitrotoluene : 4-aminobenzoic acid","","- C21 H19 N5 O10 -","- C21 H19 N5 O10 -","- C84 H76 N20 O40 -","4","1","","Landenberger, Kira B.; Matzger, Adam J.","Cocrystal Engineering of a Prototype Energetic Material: Supramolecular Chemistry of 2,4,6-Trinitrotoluene","Crystal Growth & Design","2010","10","12","5341","","10.1021/cg101300n","","","1.54187","CuKα","","0.1493","0.0747","","","0.1772","0.2632","","","","","","1.154","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502170","6.68253","0.00012","8.67582","0.00016","14.2195","0.001","86.507","0.006","80.859","0.006","68.812","0.005","758.9","0.06","95","2","95","2","","","","","","","","4","P -1","-P 1","2","TNT : anthranilic acid","2,4,6-trinitrotoluene:anthranilic acid : anthranilic acid","","- C14 H12 N4 O8 -","- C14 H12 N4 O8 -","- C28 H24 N8 O16 -","2","1","","Landenberger, Kira B.; Matzger, Adam J.","Cocrystal Engineering of a Prototype Energetic Material: Supramolecular Chemistry of 2,4,6-Trinitrotoluene","Crystal Growth & Design","2010","10","12","5341","","10.1021/cg101300n","","","1.54187","CuKα","","0.0664","0.0507","","","0.1323","0.1452","","","","","","1.002","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502171","10.3188","0.0003","13.835","0.0003","15.3114","0.0011","89.339","0.006","85.674","0.006","81.667","0.006","2156.63","0.18","95","2","95","2","","","","","","","","4","P -1","-P 1","2","TNT : anthranilic acid","2,4,6-trinitrotoluene : anthranilic acid","","- C21 H19 N5 O10 -","- C21 H19 N5 O10 -","- C84 H76 N20 O40 -","4","2","","Landenberger, Kira B.; Matzger, Adam J.","Cocrystal Engineering of a Prototype Energetic Material: Supramolecular Chemistry of 2,4,6-Trinitrotoluene","Crystal Growth & Design","2010","10","12","5341","","10.1021/cg101300n","","","1.54187","CuKα","","0.1408","0.0944","","","0.2526","0.2993","","","","","","1.042","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502172","17.4068","0.0004","9.4583","0.0002","16.6362","0.0006","90","","117.797","0.001","90","","2422.9","0.12","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Fe N8 Nd O7 -","- C16 H20 Fe N8 Nd O7 -","- C64 H80 Fe4 N32 Nd4 O28 -","4","0.5","","Gurunatha, K. L.; Mostafa, Golam; Ghoshal, Debajyoti; Maji, Tapas Kumar","Single-Crystal-to-Single-Crystal Structural Transformation in a Three-Dimensional Bimetallic (4f−3d) Supramolecular Porous Framework","Crystal Growth & Design","2010","10","6","2483","","10.1021/cg8012014","","","0.71073","MoKα","","0.0165","0.016","","","0.0404","0.0407","","","","","","1.097","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502173","16.861","0.007","9.123","0.004","16.133","0.007","90","","118.44","0.03","90","","2182.1","1.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Fe N8 Nd O6 -","- C16 H18 Fe N8 Nd O6 -","- C64 H72 Fe4 N32 Nd4 O24 -","4","0.5","","Gurunatha, K. L.; Mostafa, Golam; Ghoshal, Debajyoti; Maji, Tapas Kumar","Single-Crystal-to-Single-Crystal Structural Transformation in a Three-Dimensional Bimetallic (4f−3d) Supramolecular Porous Framework","Crystal Growth & Design","2010","10","6","2483","","10.1021/cg8012014","","","0.71073","MoKα","","0.1859","0.0854","","","0.1714","0.2336","","","","","","0.983","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502174","17.4001","0.0016","9.4537","0.0008","16.6235","0.0013","90","","117.798","0.006","90","","2418.9","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Fe N8 Nd O7 -","- C16 H20 Fe N8 Nd O7 -","- C64 H80 Fe4 N32 Nd4 O28 -","4","0.5","","Gurunatha, K. L.; Mostafa, Golam; Ghoshal, Debajyoti; Maji, Tapas Kumar","Single-Crystal-to-Single-Crystal Structural Transformation in a Three-Dimensional Bimetallic (4f−3d) Supramolecular Porous Framework","Crystal Growth & Design","2010","10","6","2483","","10.1021/cg8012014","","","0.71073","MoKα","","0.1623","0.0714","","","0.1247","0.1533","","","","","","1.097","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502175","32.993","0.003","6.3394","0.0005","23.0457","0.0017","90","","130.831","0.001","90","","3647.1","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H52 Co N2 O8 -","- C41 H52 Co N2 O8 -","- C164 H208 Co4 N8 O32 -","4","0.5","","Zhang, Wei-Hong; Wang, Yao-Yu; Lermontova, Elmira Kh.; Yang, Guo-Ping; Liu, Bin; Jin, Jun-Cheng; Dong, Zhe; Shi, Qi-Zhen","Interaction of 1,3-Adamantanediacetic Acid (H2ADA) and Ditopic Pyridyl Subunits with Cobalt Nitrate under Hydrothermal Conditions: pH Influence, Crystal Structures, and Their Properties","Crystal Growth & Design","2010","10","1","76","","10.1021/cg900285b","","","0.71073","MoKα","","0.0643","0.0401","","","0.0883","0.0968","","","","","","1.035","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502176","11.5542","0.0017","10.2363","0.0015","23.376","0.003","90","","100.211","0.002","90","","2720.9","0.7","290","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 Co N2 O6 -","- C28 H38 Co N2 O6 -","- C112 H152 Co4 N8 O24 -","4","1","","Zhang, Wei-Hong; Wang, Yao-Yu; Lermontova, Elmira Kh.; Yang, Guo-Ping; Liu, Bin; Jin, Jun-Cheng; Dong, Zhe; Shi, Qi-Zhen","Interaction of 1,3-Adamantanediacetic Acid (H2ADA) and Ditopic Pyridyl Subunits with Cobalt Nitrate under Hydrothermal Conditions: pH Influence, Crystal Structures, and Their Properties","Crystal Growth & Design","2010","10","1","76","","10.1021/cg900285b","","","0.71073","MoKα","","0.0588","0.0402","","","0.1014","0.1082","","","","","","1.068","","","","has coordinates,has disorder","179552","2020-10-21","18:00:00",""
"4502177","11.856","0.005","12.173","0.006","14.037","0.006","101.821","0.007","105.594","0.008","103.57","0.007","1817.5","1.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H50 Co2 N2 O8 -","- C41 H50 Co2 N2 O8 -","- C82 H100 Co4 N4 O16 -","2","1","","Zhang, Wei-Hong; Wang, Yao-Yu; Lermontova, Elmira Kh.; Yang, Guo-Ping; Liu, Bin; Jin, Jun-Cheng; Dong, Zhe; Shi, Qi-Zhen","Interaction of 1,3-Adamantanediacetic Acid (H2ADA) and Ditopic Pyridyl Subunits with Cobalt Nitrate under Hydrothermal Conditions: pH Influence, Crystal Structures, and Their Properties","Crystal Growth & Design","2010","10","1","76","","10.1021/cg900285b","","","0.71073","MoKα","","0.1223","0.0795","","","0.1909","0.2037","","","","","","0.896","","","","has coordinates,has disorder","179552","2020-10-21","18:00:00",""
"4502178","23.67","0.02","11.474","0.011","13.229","0.013","90","","93.599","0.017","90","","3586","6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H50 Co N2 O10 -","- C38 H50 Co N2 O10 -","- C152 H200 Co4 N8 O40 -","4","0.5","","Zhang, Wei-Hong; Wang, Yao-Yu; Lermontova, Elmira Kh.; Yang, Guo-Ping; Liu, Bin; Jin, Jun-Cheng; Dong, Zhe; Shi, Qi-Zhen","Interaction of 1,3-Adamantanediacetic Acid (H2ADA) and Ditopic Pyridyl Subunits with Cobalt Nitrate under Hydrothermal Conditions: pH Influence, Crystal Structures, and Their Properties","Crystal Growth & Design","2010","10","1","76","","10.1021/cg900285b","","","0.71073","MoKα","","0.0924","0.0487","","","0.0911","0.0964","","","","","","1.048","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502179","22.666","0.008","13.946","0.005","11.277","0.004","90","","113.441","0.006","90","","3270","2","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H22 Co N O4 -","- C19 H22 Co N O4 -","- C152 H176 Co8 N8 O32 -","8","1","","Zhang, Wei-Hong; Wang, Yao-Yu; Lermontova, Elmira Kh.; Yang, Guo-Ping; Liu, Bin; Jin, Jun-Cheng; Dong, Zhe; Shi, Qi-Zhen","Interaction of 1,3-Adamantanediacetic Acid (H2ADA) and Ditopic Pyridyl Subunits with Cobalt Nitrate under Hydrothermal Conditions: pH Influence, Crystal Structures, and Their Properties","Crystal Growth & Design","2010","10","1","76","","10.1021/cg900285b","","","0.71073","MoKα","","0.061","0.0436","","","0.1179","0.1259","","","","","","1.016","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502180","9.9279","0.0002","10.8905","0.0002","16.0206","0.0004","90","","90.982","0.0008","90","","1731.89","0.06","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N4 O -","- C18 H20 N4 O -","- C72 H80 N16 O4 -","4","1","","Macháček, Vladimír; Bertolasi, Valerio; Šimůnek, Petr; Svobodová, Markéta; Svoboda, Jan; C̆ernošková, Eva","A Three-Dimensional Channel Supramolecular Architecture Based on 3-Amino-2-(4-dimethylaminophenyldiazenyl)-1-phenylbut-2-en-1-one and Aromatic Guests†","Crystal Growth & Design","2010","10","1","85","","10.1021/cg900295n","","","0.71073","MoKα","","0.0707","0.0569","","","0.159","0.1814","","","","","","1.032","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502181","25.6403","0.0005","10.6929","0.0003","15.7578","0.0004","90","","117.47","0.0015","90","","3833.2","0.17","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H23 N4 O -","- C21 H23 N4 O -","- C168 H184 N32 O8 -","8","1","","Macháček, Vladimír; Bertolasi, Valerio; Šimůnek, Petr; Svobodová, Markéta; Svoboda, Jan; C̆ernošková, Eva","A Three-Dimensional Channel Supramolecular Architecture Based on 3-Amino-2-(4-dimethylaminophenyldiazenyl)-1-phenylbut-2-en-1-one and Aromatic Guests†","Crystal Growth & Design","2010","10","1","85","","10.1021/cg900295n","","","0.71073","MoKα","","0.0697","0.0524","","","0.1314","0.1443","","","","","","1.062","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502182","25.822","0.0006","11.0522","0.0003","15.6353","0.0004","90","","118.474","0.002","90","","3922.39","0.19","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H25 N4 O -","- C22 H25 N4 O -","- C176 H200 N32 O8 -","8","1","","Macháček, Vladimír; Bertolasi, Valerio; Šimůnek, Petr; Svobodová, Markéta; Svoboda, Jan; C̆ernošková, Eva","A Three-Dimensional Channel Supramolecular Architecture Based on 3-Amino-2-(4-dimethylaminophenyldiazenyl)-1-phenylbut-2-en-1-one and Aromatic Guests†","Crystal Growth & Design","2010","10","1","85","","10.1021/cg900295n","","","0.71073","MoKα","","0.0784","0.0497","","","0.1249","0.1419","","","","","","1.029","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502183","25.6689","0.0004","10.7565","0.0002","15.6384","0.0003","90","","117.632","0.001","90","","3825.4","0.12","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H22.5 Cl0.5 N4 O -","- C21 H22.5 Cl0.5 N4 O -","- C168 H180 Cl4 N32 O8 -","8","1","","Macháček, Vladimír; Bertolasi, Valerio; Šimůnek, Petr; Svobodová, Markéta; Svoboda, Jan; C̆ernošková, Eva","A Three-Dimensional Channel Supramolecular Architecture Based on 3-Amino-2-(4-dimethylaminophenyldiazenyl)-1-phenylbut-2-en-1-one and Aromatic Guests†","Crystal Growth & Design","2010","10","1","85","","10.1021/cg900295n","","","0.71073","MoKα","","0.0638","0.0452","","","0.1097","0.1204","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502184","7.9928","0.0009","10.9734","0.0011","20.816","0.002","90","","93.657","0.002","90","","1822","0.3","293","2","293","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C14 H13.75 Cu K0.5 La0.5 N2 O13 -","- C14 H12.8 Cu K0.5 La0.5 N2 O12.9 -","- C56 H51.2 Cu4 K2 La2 N8 O51.6 -","4","1","","Sun, Ya-guang; Gu, Xiao-fu; Ding, Fu; Smet, Philippe F.; Gao, En-jun; Poelman, Dirk; Verpoort, Francis","Synthesis, Crystal Structures, and Properties of Novel Heterometallic La/Pr−Cu−K and Sm/Eu/Tb−Cu Coordination Polymers","Crystal Growth & Design","2010","10","3","1059","","10.1021/cg900299v","","","0.71073","MoKα","","0.0333","0.0271","","","0.0713","0.0746","","","","","","1.078","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4502185","7.9977","0.0014","10.9472","0.0019","20.722","0.004","90","","93.796","0.003","90","","1810.3","0.6","293","2","293","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C14 H13.8 Cu K0.5 N2 O12.9 Pr0.5 -","- C14 H13.8 Cu K0.5 N2 O12.9 Pr0.5 -","- C56 H55.2 Cu4 K2 N8 O51.6 Pr2 -","4","1","","Sun, Ya-guang; Gu, Xiao-fu; Ding, Fu; Smet, Philippe F.; Gao, En-jun; Poelman, Dirk; Verpoort, Francis","Synthesis, Crystal Structures, and Properties of Novel Heterometallic La/Pr−Cu−K and Sm/Eu/Tb−Cu Coordination Polymers","Crystal Growth & Design","2010","10","3","1059","","10.1021/cg900299v","","","0.71073","MoKα","","0.0485","0.0345","","","0.0791","0.0864","","","","","","1.052","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4502186","7.7642","0.0012","9.4384","0.0014","13.219","0.002","75.781","0.002","76.272","0.002","78.024","0.002","900.7","0.2","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Cu N4 O25 Sm2 -","- C28 H28 Cu N4 O25 Sm2 -","- C28 H28 Cu N4 O25 Sm2 -","1","0.5","","Sun, Ya-guang; Gu, Xiao-fu; Ding, Fu; Smet, Philippe F.; Gao, En-jun; Poelman, Dirk; Verpoort, Francis","Synthesis, Crystal Structures, and Properties of Novel Heterometallic La/Pr−Cu−K and Sm/Eu/Tb−Cu Coordination Polymers","Crystal Growth & Design","2010","10","3","1059","","10.1021/cg900299v","","","0.71073","MoKα","","0.0268","0.0223","","","0.0539","0.0563","","","","","","1.038","","","","has coordinates,has disorder","179552","2020-10-21","18:00:00",""
"4502187","7.7216","0.0011","9.3835","0.0013","13.1827","0.0019","75.752","0.002","76.215","0.002","78.194","0.002","888.2","0.2","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Cu Eu2 N4 O25 -","- C28 H30 Cu Eu2 N4 O25 -","- C28 H30 Cu Eu2 N4 O25 -","1","0.5","","Sun, Ya-guang; Gu, Xiao-fu; Ding, Fu; Smet, Philippe F.; Gao, En-jun; Poelman, Dirk; Verpoort, Francis","Synthesis, Crystal Structures, and Properties of Novel Heterometallic La/Pr−Cu−K and Sm/Eu/Tb−Cu Coordination Polymers","Crystal Growth & Design","2010","10","3","1059","","10.1021/cg900299v","","","0.71073","MoKα","","0.025","0.0215","","","0.0549","0.0575","","","","","","1.033","","","","has coordinates,has disorder","179552","2020-10-21","18:00:00",""
"4502188","7.7483","0.0012","9.3676","0.0014","13.239","0.002","75.677","0.002","76.062","0.002","78.296","0.002","893.1","0.2","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Cu N4 O25 Tb2 -","- C28 H28 Cu N4 O25 Tb2 -","- C28 H28 Cu N4 O25 Tb2 -","1","0.5","","Sun, Ya-guang; Gu, Xiao-fu; Ding, Fu; Smet, Philippe F.; Gao, En-jun; Poelman, Dirk; Verpoort, Francis","Synthesis, Crystal Structures, and Properties of Novel Heterometallic La/Pr−Cu−K and Sm/Eu/Tb−Cu Coordination Polymers","Crystal Growth & Design","2010","10","3","1059","","10.1021/cg900299v","","","0.71073","MoKα","","0.0298","0.0265","","","0.0663","0.0682","","","","","","1.014","","","","has coordinates,has disorder","179552","2020-10-21","18:00:00",""
"4502189","7.948","0.0016","19.681","0.004","20.365","0.004","90","","100.02","0.03","90","","3137","1.1","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C24 H38 Ag10 I12 N4 Ni O6 -","- C24 H38 Ag10 I12 N4 Ni O6 -","- C48 H76 Ag20 I24 N8 Ni2 O12 -","2","0.5","","Li, Hao-Hong; Chen, Zhi-Rong; Sun, Ling-Guo; Lian, Zhao-Xun; Chen, Xiao-Bo; Li, Jun-Bo; Li, Jun-Qian","Two Iodoargentate Hybrid Coordination Polymers Induced by Transition-Metal Complexes: Structures and Properties","Crystal Growth & Design","2010","10","3","1068","","10.1021/cg900476m","","","0.71073","MoKα","","0.081","0.0743","","","0.1929","0.1972","","","","","","1.152","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502190","13.681","0.003","14.016","0.003","23.383","0.005","90","","90","","90","","4483.8","1.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 Ag5 Cu I7 N6 -","- C30 H24 Ag5 Cu I7 N6 -","- C120 H96 Ag20 Cu4 I28 N24 -","4","1","","Li, Hao-Hong; Chen, Zhi-Rong; Sun, Ling-Guo; Lian, Zhao-Xun; Chen, Xiao-Bo; Li, Jun-Bo; Li, Jun-Qian","Two Iodoargentate Hybrid Coordination Polymers Induced by Transition-Metal Complexes: Structures and Properties","Crystal Growth & Design","2010","10","3","1068","","10.1021/cg900476m","","","0.71073","MoKα","","0.188","0.0412","","","0.0848","0.1718","","","","","","0.719","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502191","16.8856","0.0007","7.5479","0.0011","8.9037","0.0004","90","","90","","90","","1134.78","0.18","293","2","293","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- H8 K3 O24 Te4 V5 -","- H8 K3 O24 Te4 V5 -","- H16 K6 O48 Te8 V10 -","2","0.25","","Huang, Xi-He; Huang, Chang-Cang; Liu, Dong-Sheng; Liu, Zhong-Qian; Wang, Yu-Bo","Synthesis and Characterization of New Open-Framework Vanadium Tellurite Featuring an Unprecedented (3,7)-Connected Network: K3[(VVO4)(VIVO)4(TeO3)4]·4H2O†","Crystal Growth & Design","2010","10","5","2021","","10.1021/cg900502y","","","0.71069","MoKα","","0.0364","0.028","","","0.0646","0.0665","","","","","","1","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502192","12.519","0.0009","16.131","0.0012","14.1764","0.001","90","","90","","90","","2862.8","0.4","291","2","291","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C28 H30 Cd Fe N4 O7 -","- C28 H30 Cd Fe N4 O7 -","- C112 H120 Cd4 Fe4 N16 O28 -","4","0.5","","Shi, Xianju; Wang, Xia; Li, Linke; Hou, Hongwei; Fan, Yaoting","Secondary Ligand-Directed Assembly of CdIICoordination Architectures: From 0D to 3D Complexes Based on Ferrocenyl Carboxylate","Crystal Growth & Design","2010","10","6","2490","","10.1021/cg900566v","","","0.71073","MoKα","","0.1156","0.0667","","","0.1291","0.1454","","","","","","1.015","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502193","10.0223","0.0013","15.819","0.002","15.987","0.002","63.372","0.002","76.675","0.002","76.634","0.002","2180.8","0.5","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H48 Cd Fe N6 O9 -","- C46 H48 Cd Fe N6 O9 -","- C92 H96 Cd2 Fe2 N12 O18 -","2","1","","Shi, Xianju; Wang, Xia; Li, Linke; Hou, Hongwei; Fan, Yaoting","Secondary Ligand-Directed Assembly of CdIICoordination Architectures: From 0D to 3D Complexes Based on Ferrocenyl Carboxylate","Crystal Growth & Design","2010","10","6","2490","","10.1021/cg900566v","","","0.71073","MoKα","","0.1003","0.0566","","","0.116","0.1338","","","","","","1.018","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502194","26.063","0.005","9.5208","0.0019","29.481","0.006","90","","92.38","0.03","90","","7309","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 Cd Fe N6 O9 -","- C36 H28 Cd Fe N6 O9 -","- C288 H224 Cd8 Fe8 N48 O72 -","8","1","","Shi, Xianju; Wang, Xia; Li, Linke; Hou, Hongwei; Fan, Yaoting","Secondary Ligand-Directed Assembly of CdIICoordination Architectures: From 0D to 3D Complexes Based on Ferrocenyl Carboxylate","Crystal Growth & Design","2010","10","6","2490","","10.1021/cg900566v","","","0.71073","MoKα","","0.0486","0.0453","","","0.1158","0.118","","","","","","1.143","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502195","10.238","0.002","12.877","0.003","13.513","0.003","76.38","0.03","88.99","0.03","89.68","0.03","1731.1","0.7","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C70 H68 Cd2 Fe2 N8 O14 -","- C70 H68 Cd2 Fe2 N8 O14 -","- C70 H68 Cd2 Fe2 N8 O14 -","1","1","","Shi, Xianju; Wang, Xia; Li, Linke; Hou, Hongwei; Fan, Yaoting","Secondary Ligand-Directed Assembly of CdIICoordination Architectures: From 0D to 3D Complexes Based on Ferrocenyl Carboxylate","Crystal Growth & Design","2010","10","6","2490","","10.1021/cg900566v","","","0.71073","MoKα","","0.0672","0.0585","","","0.1379","0.1521","","","","","","1.094","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502196","10.449","0.002","10.615","0.002","15.314","0.003","84.79","0.03","81.45","0.03","69.83","0.03","1575.3","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30 Cd Fe N4 O7 -","- C32 H30 Cd Fe N4 O7 -","- C64 H60 Cd2 Fe2 N8 O14 -","2","1","","Shi, Xianju; Wang, Xia; Li, Linke; Hou, Hongwei; Fan, Yaoting","Secondary Ligand-Directed Assembly of CdIICoordination Architectures: From 0D to 3D Complexes Based on Ferrocenyl Carboxylate","Crystal Growth & Design","2010","10","6","2490","","10.1021/cg900566v","","","0.71073","MoKα","","0.0406","0.036","","","0.0846","0.0888","","","","","","1.068","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502197","30.405","0.006","9.5438","0.0019","23.573","0.005","90","","90.9","0.03","90","","6840","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C62 H72 Cd2 Cl2 Fe N12 O12 -","- C62 H72 Cd2 Cl2 Fe N12 O12 -","- C248 H288 Cd8 Cl8 Fe4 N48 O48 -","4","0.5","","Shi, Xianju; Wang, Xia; Li, Linke; Hou, Hongwei; Fan, Yaoting","Secondary Ligand-Directed Assembly of CdIICoordination Architectures: From 0D to 3D Complexes Based on Ferrocenyl Carboxylate","Crystal Growth & Design","2010","10","6","2490","","10.1021/cg900566v","","","0.71073","MoKα","","0.0734","0.0626","","","0.136","0.1426","","","","","","1.192","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502198","13.776","0.003","14.405","0.003","14.789","0.003","102.87","0.03","111.52","0.03","103.48","0.03","2496.1","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H46 Cd Fe N8 O12 -","- C45 H46 Cd Fe N8 O12 -","- C90 H92 Cd2 Fe2 N16 O24 -","2","1","","Shi, Xianju; Wang, Xia; Li, Linke; Hou, Hongwei; Fan, Yaoting","Secondary Ligand-Directed Assembly of CdIICoordination Architectures: From 0D to 3D Complexes Based on Ferrocenyl Carboxylate","Crystal Growth & Design","2010","10","6","2490","","10.1021/cg900566v","","","0.71073","MoKα","","0.085","0.0684","","","0.1422","0.1523","","","","","","1.15","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502199","28.837","0.006","18.719","0.004","17.162","0.003","90","","118.1","0.03","90","","8172","4","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C84 H70 Cd2 Fe2 N14 O17 -","- C84 H70 Cd2 Fe2 N14 O17 -","- C336 H280 Cd8 Fe8 N56 O68 -","4","1","","Shi, Xianju; Wang, Xia; Li, Linke; Hou, Hongwei; Fan, Yaoting","Secondary Ligand-Directed Assembly of CdIICoordination Architectures: From 0D to 3D Complexes Based on Ferrocenyl Carboxylate","Crystal Growth & Design","2010","10","6","2490","","10.1021/cg900566v","","","0.71073","MoKα","","0.0654","0.0526","","","0.1082","0.1158","","","","","","1.102","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502200","10.0978","0.0003","10.6786","0.0003","12.6194","0.0004","66.095","0.002","75.471","0.002","65.381","0.003","1125.42","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Cu N4 Nd O11 -","- C18 H16 Cu N4 Nd O11 -","- C36 H32 Cu2 N8 Nd2 O22 -","2","1","","Peng, Guo; Qiu, Yong-Cai; Liu, Zhi-Hui; Liu, Biao; Deng, Hong","Spontaneous Assembly of d‒f Coordination Frameworks: Syntheses, Structures, and Photoluminescence","Crystal Growth & Design","2010","10","1","114","121","10.1021/cg900571v","","","0.71073","MoKα","","0.0415","0.0362","","","0.1014","0.105","","","","","","1.047","","","","has coordinates","180552","2020-10-21","18:00:00",""
"4502201","9.8679","0.0002","10.7583","0.0012","12.6584","0.0002","65.728","0.001","76.4152","0.0012","65.765","0.001","1113.54","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Ag Eu N4 O11 -","- C18 H16 Ag Eu N4 O11 -","- C36 H32 Ag2 Eu2 N8 O22 -","2","1","","Peng, Guo; Qiu, Yong-Cai; Liu, Zhi-Hui; Liu, Biao; Deng, Hong","Spontaneous Assembly of d‒f Coordination Frameworks: Syntheses, Structures, and Photoluminescence","Crystal Growth & Design","2010","10","1","114","121","10.1021/cg900571v","","","0.71073","MoKα","","0.039","0.0339","","","0.0796","0.0816","","","","","","1.178","","","","has coordinates","180552","2020-10-21","18:00:00",""
"4502202","9.8277","0.0006","10.7264","0.0006","12.6304","0.0007","65.838","0.004","76.628","0.003","65.879","0.004","1105.45","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Ag N4 O11 Tb -","- C18 H16 Ag N4 O11 Tb -","- C36 H32 Ag2 N8 O22 Tb2 -","2","1","","Peng, Guo; Qiu, Yong-Cai; Liu, Zhi-Hui; Liu, Biao; Deng, Hong","Spontaneous Assembly of d‒f Coordination Frameworks: Syntheses, Structures, and Photoluminescence","Crystal Growth & Design","2010","10","1","114","121","10.1021/cg900571v","","","0.71073","MoKα","","0.0763","0.0638","","","0.1457","0.1504","","","","","","1.174","","","","has coordinates","180552","2020-10-21","18:00:00",""
"4502203","7.64462","0.00012","12.5372","0.00018","14.08462","0.00015","70.417","0.0013","87.9191","0.0012","81.0572","0.001","1256.18","0.03","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H17 Cu N6 O9 Sm -","- C25 H17 Cu N6 O9 Sm -","- C50 H34 Cu2 N12 O18 Sm2 -","2","1","","Peng, Guo; Qiu, Yong-Cai; Liu, Zhi-Hui; Liu, Biao; Deng, Hong","Spontaneous Assembly of d‒f Coordination Frameworks: Syntheses, Structures, and Photoluminescence","Crystal Growth & Design","2010","10","1","114","121","10.1021/cg900571v","","","0.71073","MoKα","","0.0278","0.0238","","","0.0524","0.0542","","","","","","1.044","","","","has coordinates","180552","2020-10-21","18:00:00",""
"4502204","7.6327","0.00012","12.49392","0.00015","14.00873","0.00016","70.478","0.001","87.5451","0.0016","81.2014","0.0013","1244.24","0.03","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H17 Cu Dy N6 O9 -","- C25 H17 Cu Dy N6 O9 -","- C50 H34 Cu2 Dy2 N12 O18 -","2","1","","Peng, Guo; Qiu, Yong-Cai; Liu, Zhi-Hui; Liu, Biao; Deng, Hong","Spontaneous Assembly of d‒f Coordination Frameworks: Syntheses, Structures, and Photoluminescence","Crystal Growth & Design","2010","10","1","114","121","10.1021/cg900571v","","","0.71073","MoKα","","0.0271","0.0231","","","0.0482","0.0501","","","","","","1.053","","","","has coordinates","180552","2020-10-21","18:00:00",""
"4502205","10.9079","0.0005","16.5599","0.0008","7.5525","0.0004","90","","104.247","0.003","90","","1322.28","0.11","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H5 Ag Eu N2 O8 -","- C11 H5 Ag Eu N2 O8 -","- C44 H20 Ag4 Eu4 N8 O32 -","4","1","","Peng, Guo; Qiu, Yong-Cai; Liu, Zhi-Hui; Liu, Biao; Deng, Hong","Spontaneous Assembly of d‒f Coordination Frameworks: Syntheses, Structures, and Photoluminescence","Crystal Growth & Design","2010","10","1","114","121","10.1021/cg900571v","","","0.71073","MoKα","","0.0379","0.0278","","","0.0508","0.0539","","","","","","1.052","","","","has coordinates","180552","2020-10-21","18:00:00",""
"4502206","11.0351","0.001","23.458","0.002","15.7276","0.0016","90","","101.759","0.002","90","","3985.8","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H34 Cd2 N4 O9 -","- C48 H34 Cd2 N4 O9 -","- C192 H136 Cd8 N16 O36 -","4","1","","Huang, Kun-Lin; Liu, Xi; Li, Ji-Kun; Ding, Yan-Wei; Chen, Xin; Zhang, Ming-Xing; Xu, Xiao-Bo; Song, Xiao-Jun","Three-Dimensional Metal(II)−Organic Coordination Polymers from Binuclear, Trinuclear, and Polynuclear Clusters Bridged byp-Benzenediacrylates: Syntheses, Topologies, Photosensitive Properties, and Hydrogen Uptake","Crystal Growth & Design","2010","10","4","1508","","10.1021/cg900579s","","","0.71073","MoKα","","0.0504","0.0348","","","0.0758","0.0873","","","","","","1.004","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502207","12.321","0.003","10.609","0.003","25.816","0.007","90","","91.739","0.004","90","","3372.9","1.6","298","2","298","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C60 H40 N4 O12 Zn3 -","- C60 H40 N4 O12 Zn3 -","- C120 H80 N8 O24 Zn6 -","2","0.5","","Huang, Kun-Lin; Liu, Xi; Li, Ji-Kun; Ding, Yan-Wei; Chen, Xin; Zhang, Ming-Xing; Xu, Xiao-Bo; Song, Xiao-Jun","Three-Dimensional Metal(II)−Organic Coordination Polymers from Binuclear, Trinuclear, and Polynuclear Clusters Bridged byp-Benzenediacrylates: Syntheses, Topologies, Photosensitive Properties, and Hydrogen Uptake","Crystal Growth & Design","2010","10","4","1508","","10.1021/cg900579s","","","0.71073","MoKα","","0.1074","0.0591","","","0.1323","0.1611","","","","","","1.001","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502208","24.8","0.008","5.4672","0.0017","7.999","0.003","90","","96.237","0.005","90","","1078.1","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 O4 Pb -","- C12 H8 O4 Pb -","- C48 H32 O16 Pb4 -","4","0.5","","Huang, Kun-Lin; Liu, Xi; Li, Ji-Kun; Ding, Yan-Wei; Chen, Xin; Zhang, Ming-Xing; Xu, Xiao-Bo; Song, Xiao-Jun","Three-Dimensional Metal(II)−Organic Coordination Polymers from Binuclear, Trinuclear, and Polynuclear Clusters Bridged byp-Benzenediacrylates: Syntheses, Topologies, Photosensitive Properties, and Hydrogen Uptake","Crystal Growth & Design","2010","10","4","1508","","10.1021/cg900579s","","","0.71073","MoKα","","0.016","0.0151","","","0.0326","0.0329","","","","","","1.03","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502209","12.8832","0.0018","12.8832","0.0018","17.084","0.003","90","","90","","120","","2455.7","0.6","153","2","153","2","","","","","","","","8","P 3 1 c","P 3 -2c","159","","","","- C33 H48 Cl Cu3 Mo N12 O5 S3 -","- C33 H48 Cl Cu3 Mo N12 O5 S3 -","- C66 H96 Cl2 Cu6 Mo2 N24 O10 S6 -","2","0.333333","","Zhang, Wen-Hua; Liu, Dong; Li, Hong-Xi; Ren, Zhi-Gang; Zhang, Yong; Lang, Jian-Ping","How Does a Non-C3-Symmetry Guest Molecule Fit into aC3-Symmetry Host Cavity?","Crystal Growth & Design","2010","10","1","3","","10.1021/cg9006636","","","0.71073","MoKα","","0.0289","0.0286","","","0.0873","0.0875","","","","","","1.101","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502210","12.792","0.002","12.792","0.002","17.586","0.004","90","","90","","120","","2492.2","0.8","193","2","193","2","","","","","","","","8","P 3 1 c","P 3 -2c","159","","","","- C39 H55 Cl Cu3 Mo N13 O5 S3 -","- C39 H54.99 Cl Cu3 Mo N12.99 O5 S3 -","- C78 H109.98 Cl2 Cu6 Mo2 N25.98 O10 S6 -","2","0.333333","","Zhang, Wen-Hua; Liu, Dong; Li, Hong-Xi; Ren, Zhi-Gang; Zhang, Yong; Lang, Jian-Ping","How Does a Non-C3-Symmetry Guest Molecule Fit into aC3-Symmetry Host Cavity?","Crystal Growth & Design","2010","10","1","3","","10.1021/cg9006636","","","0.71073","MoKα","","0.0351","0.0333","","","0.0624","0.0633","","","","","","1.113","","","","has coordinates,has disorder","179553","2020-10-21","18:00:00",""
"4502211","12.9099","0.0018","12.9099","0.0018","17.582","0.004","90","","90","","120","","2537.7","0.8","223","2","223","2","","","","","","","","8","P 3 1 c","P 3 -2c","159","","","","- C39 H60 Cl Cu3 Mo N12 O5 S3 -","- C39 H60 Cl Cu3 Mo N12 O5 S3 -","- C78 H120 Cl2 Cu6 Mo2 N24 O10 S6 -","2","0.333333","","Zhang, Wen-Hua; Liu, Dong; Li, Hong-Xi; Ren, Zhi-Gang; Zhang, Yong; Lang, Jian-Ping","How Does a Non-C3-Symmetry Guest Molecule Fit into aC3-Symmetry Host Cavity?","Crystal Growth & Design","2010","10","1","3","","10.1021/cg9006636","","","0.71073","MoKα","","0.0438","0.0407","","","0.0823","0.0834","","","","","","1.112","","","","has coordinates,has disorder","179553","2020-10-21","18:00:00",""
"4502212","12.8184","0.0018","12.8184","0.0018","17.258","0.004","90","","90","","120","","2455.8","0.7","193","2","193","2","","","","","","","","8","P 3 1 c","P 3 -2c","159","","","","- C36 H48 Cl Cu3 Mo N13 O6 S3 -","- C35.97 H48 Cl Cu3 Mo N12.99 O5.99 S3 -","- C71.94 H96 Cl2 Cu6 Mo2 N25.98 O11.98 S6 -","2","0.333333","","Zhang, Wen-Hua; Liu, Dong; Li, Hong-Xi; Ren, Zhi-Gang; Zhang, Yong; Lang, Jian-Ping","How Does a Non-C3-Symmetry Guest Molecule Fit into aC3-Symmetry Host Cavity?","Crystal Growth & Design","2010","10","1","3","","10.1021/cg9006636","","","0.71073","MoKα","","0.0306","0.0291","","","0.0601","0.0607","","","","","","1.092","","","","has coordinates,has disorder","179553","2020-10-21","18:00:00",""
"4502213","12.8873","0.0018","12.8873","0.0018","17.305","0.004","90","","90","","120","","2489","0.8","223","2","223","2","","","","","","","","8","P 3 1 c","P 3 -2c","159","","","","- C34 H51 Cl Cu3 Mo N13 O6 S3 -","- C33.99 H50.97 Cl Cu3 Mo N12.99 O5.99 S3 -","- C67.98 H101.94 Cl2 Cu6 Mo2 N25.98 O11.98 S6 -","2","0.333333","","Zhang, Wen-Hua; Liu, Dong; Li, Hong-Xi; Ren, Zhi-Gang; Zhang, Yong; Lang, Jian-Ping","How Does a Non-C3-Symmetry Guest Molecule Fit into aC3-Symmetry Host Cavity?","Crystal Growth & Design","2010","10","1","3","","10.1021/cg9006636","","","0.71073","MoKα","","0.0368","0.0344","","","0.0699","0.0709","","","","","","1.135","","","","has coordinates,has disorder","179553","2020-10-21","18:00:00",""
"4502214","12.8409","0.0018","12.8409","0.0018","17.225","0.003","90","","90","","120","","2459.7","0.6","193","2","193","2","","","","","","","","8","P 3 1 c","P 3 -2c","159","","","","- C33 H54 Cl Cu3 N12 O8 S3 W -","- C33 H54 Cl Cu3 N12 O8 S3 W -","- C66 H108 Cl2 Cu6 N24 O16 S6 W2 -","2","0.333333","","Zhang, Wen-Hua; Liu, Dong; Li, Hong-Xi; Ren, Zhi-Gang; Zhang, Yong; Lang, Jian-Ping","How Does a Non-C3-Symmetry Guest Molecule Fit into aC3-Symmetry Host Cavity?","Crystal Growth & Design","2010","10","1","3","","10.1021/cg9006636","","","0.71073","MoKα","","0.0372","0.0341","","","0.0781","0.0799","","","","","","0.998","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502215","12.4987","0.0015","19.16","0.002","13.6336","0.0017","90","","111.633","0.002","90","","3034.9","0.6","185","2","185","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28.8 Co4 O24.4 -","- C20 H25 Co4 O24.4 -","- C80 H100 Co16 O97.6 -","4","1","","Wang, Guan-Hua; Lei, Yong-Qian; Wang, Ning; He, Ren-Ling; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei","Construction of Metal−Organic Frameworks with Tetranuclear Metal Clusters: Hydrothermal Synthesis, Structure, and Magnetic Properties","Crystal Growth & Design","2010","10","2","534","","10.1021/cg900694k","","","0.71073","MoKα","","0.077","0.0456","","","0.0897","0.1015","","","","","","0.996","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4502216","12.4121","0.0012","19.0669","0.0018","13.6077","0.0014","90","","112.135","0.002","90","","2983.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Ni4 O24 -","- C20 H28 Ni4 O24 -","- C80 H112 Ni16 O96 -","4","1","","Wang, Guan-Hua; Lei, Yong-Qian; Wang, Ning; He, Ren-Ling; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei","Construction of Metal−Organic Frameworks with Tetranuclear Metal Clusters: Hydrothermal Synthesis, Structure, and Magnetic Properties","Crystal Growth & Design","2010","10","2","534","","10.1021/cg900694k","","","0.71073","MoKα","","0.0665","0.0466","","","0.1021","0.1124","","","","","","1.002","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502217","9.8385","0.0011","11.0629","0.0013","13.5398","0.0016","66.61","0.002","85.898","0.002","69.717","0.002","1265","0.3","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21.8 Co2 N2 O10.9 -","- C22 H16 Co2 N2 O10.9 -","- C44 H32 Co4 N4 O21.8 -","2","1","","Wang, Guan-Hua; Lei, Yong-Qian; Wang, Ning; He, Ren-Ling; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei","Construction of Metal−Organic Frameworks with Tetranuclear Metal Clusters: Hydrothermal Synthesis, Structure, and Magnetic Properties","Crystal Growth & Design","2010","10","2","534","","10.1021/cg900694k","","","0.71073","MoKα","","0.1046","0.073","","","0.1688","0.1889","","","","","","1.108","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4502218","9.8401","0.0011","11.0617","0.0013","13.5307","0.0016","66.181","0.002","85.823","0.002","69.89","0.002","1261.5","0.3","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 N2 O11.5 Zn2 -","- C22 H15 N2 O11.5 Zn2 -","- C44 H30 N4 O23 Zn4 -","2","1","","Wang, Guan-Hua; Lei, Yong-Qian; Wang, Ning; He, Ren-Ling; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei","Construction of Metal−Organic Frameworks with Tetranuclear Metal Clusters: Hydrothermal Synthesis, Structure, and Magnetic Properties","Crystal Growth & Design","2010","10","2","534","","10.1021/cg900694k","","","0.71073","MoKα","","0.1022","0.0664","","","0.1435","0.162","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502219","9.8886","0.0019","11.102","0.002","11.914","0.002","64.317","0.003","78.159","0.003","68.485","0.003","1094.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18.4 Co2 N2 O10.2 -","- C20 H16 Co2 N2 O10.2 -","- C40 H32 Co4 N4 O20.4 -","2","1","","Wang, Guan-Hua; Lei, Yong-Qian; Wang, Ning; He, Ren-Ling; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei","Construction of Metal−Organic Frameworks with Tetranuclear Metal Clusters: Hydrothermal Synthesis, Structure, and Magnetic Properties","Crystal Growth & Design","2010","10","2","534","","10.1021/cg900694k","","","0.71073","MoKα","","0.1049","0.0689","","","0.1661","0.189","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502220","11.9761","0.0003","11.9761","0.0003","31.3992","0.0013","90","","90","","90","","4503.5","0.2","296","2","296","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C28 H28 O29 Pr3 S4 -","- C28 H28 O28.9 Pr3 S4 -","- C112 H112 O115.6 Pr12 S16 -","4","0.25","","Gándara, Felipe; Gutiérrez-Puebla, Enrique; Iglesias, Marta; Snejko, Natalia; Monge, M. Ángeles","Isolated Hexanuclear Hydroxo Lanthanide Secondary Building Units in a Rare-Earth Polymeric Framework Based onp-Sulfonatocalix[4]arene","Crystal Growth & Design","2010","10","1","128","","10.1021/cg900704x","","","1.54178","CuKα","","0.0461","0.0399","","","0.1184","0.1203","","","","","","1.047","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502221","11.9612","0.0006","11.9612","0.0006","31.373","0.003","90","","90","","90","","4488.5","0.5","296","2","296","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C28 H36 Nd3 O28.5 S4 -","- C28 H36 Nd3 O28.5 S4 -","- C112 H144 Nd12 O114 S16 -","4","0.25","","Gándara, Felipe; Gutiérrez-Puebla, Enrique; Iglesias, Marta; Snejko, Natalia; Monge, M. Ángeles","Isolated Hexanuclear Hydroxo Lanthanide Secondary Building Units in a Rare-Earth Polymeric Framework Based onp-Sulfonatocalix[4]arene","Crystal Growth & Design","2010","10","1","128","","10.1021/cg900704x","","","1.54178","CuKα","","0.2308","0.0991","","","0.1983","0.2359","","","","","","0.885","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502222","11.966","0.0012","11.966","0.0012","30.539","0.003","90","","90","","90","","4372.7","0.8","295","2","295","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C28 H20 O28 S4 Yb3 -","- C28 H20 O28 S4 Yb3 -","- C112 H80 O112 S16 Yb12 -","4","0.25","","Gándara, Felipe; Gutiérrez-Puebla, Enrique; Iglesias, Marta; Snejko, Natalia; Monge, M. Ángeles","Isolated Hexanuclear Hydroxo Lanthanide Secondary Building Units in a Rare-Earth Polymeric Framework Based onp-Sulfonatocalix[4]arene","Crystal Growth & Design","2010","10","1","128","","10.1021/cg900704x","","","0.71073","MoKα","","0.1711","0.1551","","","0.2653","0.2795","","","","","","1.506","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502223","9.993","0.003","11.259","0.003","17.33","0.004","85.03","0.02","87.27","0.02","75.26","0.02","1877.9","0.9","294","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H47 Cl3 O7 -","- C39 H45 Cl3 O7 -","- C78 H90 Cl6 O14 -","2","1","","Tedesco, Consiglia; Erra, Loredana; Immediata, Ivano; Gaeta, Carmine; Brunelli, Michela; Merlini, Marco; Meneghini, Carlo; Pattison, Philip; Neri, Placido","Solvent Induced Pseudopolymorphism in a Calixarene-Based Porous Host Framework","Crystal Growth & Design","2010","10","4","1527","","10.1021/cg900719f","","","0.71069","MoKα","","0.1623","0.0766","","","0.2128","0.2727","","","","","","0.988","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502224","12.726","0.005","19.182","0.005","15.583","0.005","90","","91.643","0.002","90","","3802","2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H50.5 N1.5 O7 -","- C41 H48.5 N1.5 O7 -","- C164 H194 N6 O28 -","4","2","","Tedesco, Consiglia; Erra, Loredana; Immediata, Ivano; Gaeta, Carmine; Brunelli, Michela; Merlini, Marco; Meneghini, Carlo; Pattison, Philip; Neri, Placido","Solvent Induced Pseudopolymorphism in a Calixarene-Based Porous Host Framework","Crystal Growth & Design","2010","10","4","1527","","10.1021/cg900719f","","","0.8","","","0.0644","0.062","","","0.1638","0.1678","","","","","","0.857","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502225","19.46","0.004","20.323","0.004","31.407","0.006","95.59","0.03","90.01","0.03","108.96","0.03","11685","5","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C4 H155 Gd3 K6 Mn2 Na8 O235 P6 W42 -","- C4 H2 Gd3 K6 Mn2 Na8 O217 P6 W42 -","- C8 H4 Gd6 K12 Mn4 Na16 O434 P12 W84 -","2","1","","Yao, Shuang; Zhang, Zhiming; Li, Yangguang; Lu, Ying; Wang, Enbo; Su, Zhongmin","Two Heterometallic Aggregates Constructed from the {P2W12}-Based Trimeric Polyoxotungstates and 3d-4f Heterometals","Crystal Growth & Design","2010","10","1","135","","10.1021/cg900745z","","","0.71073","MoKα","","0.1563","0.0802","","","0.166","0.1918","","","","","","0.944","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502226","21.041","0.004","23.295","0.005","26.343","0.005","74.49","0.03","79.05","0.03","67.13","0.03","11410","5","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- Co2 Gd2 H144 K6 Na10 O221 P6 W41 -","- Co2 Gd2 K6 Na7 O204 P6 W41 -","- Co4 Gd4 K12 Na14 O408 P12 W82 -","2","1","","Yao, Shuang; Zhang, Zhiming; Li, Yangguang; Lu, Ying; Wang, Enbo; Su, Zhongmin","Two Heterometallic Aggregates Constructed from the {P2W12}-Based Trimeric Polyoxotungstates and 3d-4f Heterometals","Crystal Growth & Design","2010","10","1","135","","10.1021/cg900745z","","","0.71073","MoKα","","0.1248","0.0816","","","0.1755","0.1947","","","","","","0.933","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502227","6.5909","0.0003","34.765","0.0017","10.3821","0.0005","90","","102.325","0.003","90","","2324.05","0.19","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H14 Cd Li N O9 -","- C19 H14 Cd Li N O9 -","- C76 H56 Cd4 Li4 N4 O36 -","4","0.5","","Lin, Jian-Di; Long, Xi-Fa; Lin, Ping; Du, Shao-Wu","A Series of Cation-Templated, Polycarboxylate-Based Cd(II) or Cd(II)/Li(I) Frameworks with Second-Order Nonlinear Optical and Ferroelectric Properties","Crystal Growth & Design","2010","10","1","146","","10.1021/cg9007476","","","0.71073","MoKα","","0.0261","0.0247","","","0.0741","0.0758","","","","","","1.05","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502228","16.1192","0.0001","16.1192","0.0001","11.9893","0.0006","90","","90","","120","","2697.81","0.14","293","2","293","2","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C5.5 H6.5 Cd0.25 N0.75 O2 -","- C5.5 H6.5 Cd0.25 N0.75 O2 -","- C66 H78 Cd3 N9 O24 -","12","1","","Lin, Jian-Di; Long, Xi-Fa; Lin, Ping; Du, Shao-Wu","A Series of Cation-Templated, Polycarboxylate-Based Cd(II) or Cd(II)/Li(I) Frameworks with Second-Order Nonlinear Optical and Ferroelectric Properties","Crystal Growth & Design","2010","10","1","146","","10.1021/cg9007476","","","0.71073","MoKα","","0.0388","0.0385","","","0.1159","0.1165","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502229","9.824","0.002","9.824","0.002","6.536","0.002","90","","90","","90","","630.8","0.3","293","2","293","2","","","","","","","","5","P -4 m 2","P -4 -2","115","","","","- C3.25 Cd0.13 Li0.13 N0 O -","- C3.25 Cd0.125 Li0.125 O -","- C26 Cd Li O8 -","8","1","","Lin, Jian-Di; Long, Xi-Fa; Lin, Ping; Du, Shao-Wu","A Series of Cation-Templated, Polycarboxylate-Based Cd(II) or Cd(II)/Li(I) Frameworks with Second-Order Nonlinear Optical and Ferroelectric Properties","Crystal Growth & Design","2010","10","1","146","","10.1021/cg9007476","","","0.71073","MoKα","","0.0372","0.0372","","","0.0927","0.0927","","","","","","1.01","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502230","14.141","0.004","14.517","0.003","13.029","0.003","90","","99.737","0.004","90","","2636.1","1.1","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H30 Cd N2 O13 -","- C22 H24 Cd N2 O13 -","- C88 H96 Cd4 N8 O52 -","4","1","","Lin, Jian-Di; Long, Xi-Fa; Lin, Ping; Du, Shao-Wu","A Series of Cation-Templated, Polycarboxylate-Based Cd(II) or Cd(II)/Li(I) Frameworks with Second-Order Nonlinear Optical and Ferroelectric Properties","Crystal Growth & Design","2010","10","1","146","","10.1021/cg9007476","","","0.71073","MoKα","","0.0433","0.0413","","","0.1153","0.1173","","","","","","1.059","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502231","9.6892","0.0019","21.158","0.004","17.681","0.004","90","","105.426","0.004","90","","3494.1","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 Cd1.5 Li N2 O10 -","- C30 H38 Cd1.5 Li N2 O10 -","- C120 H152 Cd6 Li4 N8 O40 -","4","1","","Lin, Jian-Di; Long, Xi-Fa; Lin, Ping; Du, Shao-Wu","A Series of Cation-Templated, Polycarboxylate-Based Cd(II) or Cd(II)/Li(I) Frameworks with Second-Order Nonlinear Optical and Ferroelectric Properties","Crystal Growth & Design","2010","10","1","146","","10.1021/cg9007476","","","0.71073","MoKα","","0.04","0.0371","","","0.1147","0.1184","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502232","23.3033","0.0008","23.3033","0.0008","6.5788","0.0004","90","","90","","90","","3572.6","0.3","293","2","293","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C60 H44 Cd2 Li2 N2 O20 -","- C60 H44 Cd2 Li2 N2 O20 -","- C120 H88 Cd4 Li4 N4 O40 -","2","0.125","","Lin, Jian-Di; Long, Xi-Fa; Lin, Ping; Du, Shao-Wu","A Series of Cation-Templated, Polycarboxylate-Based Cd(II) or Cd(II)/Li(I) Frameworks with Second-Order Nonlinear Optical and Ferroelectric Properties","Crystal Growth & Design","2010","10","1","146","","10.1021/cg9007476","","","0.71073","MoKα","","0.0393","0.0358","","","0.1137","0.1178","","","","","","1.057","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502233","27.07","0.04","6.347","0.002","25.67","0.03","90","","107.93","0.003","90","","4196","8","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C34 H25 Cd Li N2 O14 S2 -","- C34 H25 Cd Li N2 O14 S2 -","- C136 H100 Cd4 Li4 N8 O56 S8 -","4","1","","Lin, Jian-Di; Long, Xi-Fa; Lin, Ping; Du, Shao-Wu","A Series of Cation-Templated, Polycarboxylate-Based Cd(II) or Cd(II)/Li(I) Frameworks with Second-Order Nonlinear Optical and Ferroelectric Properties","Crystal Growth & Design","2010","10","1","146","","10.1021/cg9007476","","","0.71073","MoKα","","0.0746","0.0632","","","0.1721","0.1883","","","","","","1.065","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502234","11.6534","0.0003","11.6534","0.0003","13.7499","0.0005","90","","90","","120","","1617.09","0.08","293","2","293","2","","","","","","","","6","P 3","P 3","143","","","","- C14.67 H13 Cd N0.33 O7.33 S -","- C14.67 H8 Cd N0.333333 O7.33333 S -","- C44.01 H24 Cd3 N O22 S3 -","3","1","","Lin, Jian-Di; Long, Xi-Fa; Lin, Ping; Du, Shao-Wu","A Series of Cation-Templated, Polycarboxylate-Based Cd(II) or Cd(II)/Li(I) Frameworks with Second-Order Nonlinear Optical and Ferroelectric Properties","Crystal Growth & Design","2010","10","1","146","","10.1021/cg9007476","","","0.71073","MoKα","","0.0394","0.039","","","0.1097","0.1104","","","","","","1.045","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502235","11.403","0.003","11.092","0.002","22.58","0.005","90","","97.59","0.02","90","","2830.9","1.1","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 Cu N2 O4 P2 -","- C30 Cu N2 O4 P2 -","- C120 Cu4 N8 O16 P8 -","4","1","","Costantino, Ferdinando; Ienco, Andrea; Midollini, Stefano","Different Structural Networks Determined by Variation of the Ligand Skeleton in Copper(II) Diphosphinate Coordination Polymers","Crystal Growth & Design","2010","10","1","7","","10.1021/cg900748r","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.10424","","4.34","","","","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502236","11.351","0.003","11.071","0.003","22.53","0.005","90","","97.45","0.02","90","","2807.4","1.2","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 Cu N2 O4 P2 -","- C30 Cu N2 O4 P2 -","- C120 Cu4 N8 O16 P8 -","4","1","","Costantino, Ferdinando; Ienco, Andrea; Midollini, Stefano","Different Structural Networks Determined by Variation of the Ligand Skeleton in Copper(II) Diphosphinate Coordination Polymers","Crystal Growth & Design","2010","10","1","7","","10.1021/cg900748r","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.07387","","3.5","","","","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502237","6.9711","0.0008","9.0461","0.0013","21.165","0.002","90","","106.014","0.007","90","","1282.9","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2,6-Diaminopyridinium)tetrabromoferrate(III)","","- C5 H8 Br4 Fe N3 -","- C5 H8 Br4 Fe N3 -","- C20 H32 Br16 Fe4 N12 -","4","1","","Awwadi, Firas; Haddad, Salim F.; Willett, Roger D.; Twamley, Brendan","The Analogy of C−Br···Br−C, C−Br···Br−Fe, and Fe−Br···Br−Fe Contacts: Crystal Structures of (26DAPH)FeBr4and (26DA35DBPH)2FeBr4·Br","Crystal Growth & Design","2010","10","1","158","","10.1021/cg900762s","","","0.71073","MoKα","","0.1068","0.058","","","0.1323","0.1583","","","","","","0.996","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502238","15.7936","0.0011","15.1937","0.001","20.058","0.0014","90","","90","","90","","4813.2","0.6","81","2","81","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(2,6-dibromopyrdinium) tetrabromoferrate(III) bromide","","- C10 H12 Br9 Fe N6 -","- C10 H12 Br9 Fe N6 -","- C80 H96 Br72 Fe8 N48 -","8","1","","Awwadi, Firas; Haddad, Salim F.; Willett, Roger D.; Twamley, Brendan","The Analogy of C−Br···Br−C, C−Br···Br−Fe, and Fe−Br···Br−Fe Contacts: Crystal Structures of (26DAPH)FeBr4and (26DA35DBPH)2FeBr4·Br","Crystal Growth & Design","2010","10","1","158","","10.1021/cg900762s","","","0.71073","MoKα","","0.0746","0.0426","","","0.0922","0.1048","","","","","","0.961","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502239","8.2227","0.0014","9.9797","0.0017","24.352","0.004","90","","93.029","0.002","90","","1995.5","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 Fe2 Mo6 N2 O19 -","- C32 H32 Fe2 Mo6 N2 O19 -","- C64 H64 Fe4 Mo12 N4 O38 -","2","0.5","","Xu, Haisheng; Li, Zhanfeng; Liu, Bin; Xue, Ganglin; Hu, Huaiming; Fu, Feng; Wang, Jiwu","Charge-Transfer Salts via Cocrystallization of the Cationic Ferrocenyl Donor with Polyoxometalate Acceptors","Crystal Growth & Design","2010","10","3","1096","","10.1021/cg900777g","","","0.71073","MoKα","","0.0321","0.0261","","","0.0638","0.0651","","","","","","0.997","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4502240","8.1887","0.0012","10.0651","0.0014","24.424","0.003","90","","92.623","0.002","90","","2010.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 Fe2 N2 O19 W6 -","- C32 H32 Fe2 N2 O19 W6 -","- C64 H64 Fe4 N4 O38 W12 -","2","0.5","","Xu, Haisheng; Li, Zhanfeng; Liu, Bin; Xue, Ganglin; Hu, Huaiming; Fu, Feng; Wang, Jiwu","Charge-Transfer Salts via Cocrystallization of the Cationic Ferrocenyl Donor with Polyoxometalate Acceptors","Crystal Growth & Design","2010","10","3","1096","","10.1021/cg900777g","","","0.71073","MoKα","","0.0453","0.0401","","","0.0926","0.0947","","","","","","0.995","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4502241","18.328","0.002","17.464","0.0018","23.66","0.003","90","","90","","90","","7573.1","1.5","293","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H64 Fe4 N4 O32 W10 -","- C64 H64 Fe4 N4 O32 W10 -","- C256 H256 Fe16 N16 O128 W40 -","4","0.5","","Xu, Haisheng; Li, Zhanfeng; Liu, Bin; Xue, Ganglin; Hu, Huaiming; Fu, Feng; Wang, Jiwu","Charge-Transfer Salts via Cocrystallization of the Cationic Ferrocenyl Donor with Polyoxometalate Acceptors","Crystal Growth & Design","2010","10","3","1096","","10.1021/cg900777g","","","0.71073","MoKα","","0.0531","0.0347","","","0.0718","0.0754","","","","","","0.907","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502242","20.639","0.005","21.396","0.005","16.918","0.004","90","","90","","90","","7471","3","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C48 H68 Fe2 Mo12 N3 O40 P -","- C48 H68 Fe2 Mo12 N3 O40 P -","- C192 H272 Fe8 Mo48 N12 O160 P4 -","4","0.5","","Xu, Haisheng; Li, Zhanfeng; Liu, Bin; Xue, Ganglin; Hu, Huaiming; Fu, Feng; Wang, Jiwu","Charge-Transfer Salts via Cocrystallization of the Cationic Ferrocenyl Donor with Polyoxometalate Acceptors","Crystal Growth & Design","2010","10","3","1096","","10.1021/cg900777g","","","0.71073","MoKα","","0.1378","0.0928","","","0.2208","0.2356","","","","","","1.054","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4502243","8.9366","0.0003","11.3566","0.0003","14.5468","0.0003","90","","103.113","0.002","90","","1437.85","0.07","123","1","123","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[H3N(CH2)2NH3](cdm)2","","- C10 H14 N8 O2 -","- C10 H14 N8 O2 -","- C40 H56 N32 O8 -","4","1","","Turner, David R.; Batten, Stuart R.","Di- and Triammonium Salts of Carbamoyldicyanomethanide, C(CN)2(CONH2)−: Layered Organic Architectures","Crystal Growth & Design","2010","10","6","2501","","10.1021/cg900783k","","","0.71073","MoKα","","0.0615","0.051","","","0.109","0.1174","","","","","","1.128","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502244","7.1662","0.0003","14.6131","0.0004","13.4285","0.0006","90","","92.097","0.002","90","","1405.3","0.09","123","1","123","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[NH3(CH2)3NH3](cdm)","propane-1,3-diammonium carbamoyldicyanomethanide","","- C11 H16 N8 O2 -","- C11 H16 N8 O2 -","- C44 H64 N32 O8 -","4","1","","Turner, David R.; Batten, Stuart R.","Di- and Triammonium Salts of Carbamoyldicyanomethanide, C(CN)2(CONH2)−: Layered Organic Architectures","Crystal Growth & Design","2010","10","6","2501","","10.1021/cg900783k","","","0.71073","MoKα","","0.0644","0.0537","","","0.112","0.12","","","","","","1.098","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502245","7.4907","0.0007","7.5447","0.0007","7.9976","0.0013","99.425","0.007","107.115","0.008","112.865","0.005","377.66","0.09","123","1","123","1","","","","","","","","4","P -1","-P 1","2","[H3N(CH2)4NH3](cdm)2","[H3N(CH2)4NH3](cdm)2","","- C12 H18 N8 O2 -","- C12 H18 N8 O2 -","- C12 H18 N8 O2 -","1","0.5","","Turner, David R.; Batten, Stuart R.","Di- and Triammonium Salts of Carbamoyldicyanomethanide, C(CN)2(CONH2)−: Layered Organic Architectures","Crystal Growth & Design","2010","10","6","2501","","10.1021/cg900783k","","","0.71073","MoKα","","0.0743","0.0583","","","0.1324","0.1429","","","","","","1.065","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502246","21.2008","0.001","14.6416","0.0007","13.6827","0.0007","90","","111.146","0.002","90","","3961.3","0.3","123","1","123","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","H3N(CH2)2NH2(CH2)2NH3(cdm)3","diethylenetriammonium carbamoyldicyanomethanide","","- C16 H22 N12 O3 -","- C16 H22 N12 O3 -","- C128 H176 N96 O24 -","8","1","","Turner, David R.; Batten, Stuart R.","Di- and Triammonium Salts of Carbamoyldicyanomethanide, C(CN)2(CONH2)−: Layered Organic Architectures","Crystal Growth & Design","2010","10","6","2501","","10.1021/cg900783k","","","0.71073","MoKα","","0.137","0.093","","","0.1489","0.1697","","","","","","1.148","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502247","13.9986","0.0016","14.3641","0.0017","15.346","0.002","88.164","0.002","62.988","0.002","72.394","0.002","2600.1","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H77 Cu6 Mo12 N36 O42 P -","- C72 H72 Cu6 Mo12 N36 O42 P -","- C72 H72 Cu6 Mo12 N36 O42 P -","1","0.5","","Tian, Ai-xiang; Ying, Jun; Peng, Jun; Sha, Jing-quan; Su, Zhong-min; Pang, Hai-jun; Zhang, Peng-peng; Chen, Yuan; Zhu, Min; Shen, Yan","Using Flexible and Rigid Organic Ligands to Tune Topology Structures Based on Keggin Polyoxometalates","Crystal Growth & Design","2010","10","3","1104","","10.1021/cg900806k","","","0.71073","MoKα","","0.0561","0.0427","","","0.109","0.1187","","","","","","1.003","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502248","13.9881","0.0008","14.3592","0.0008","15.3319","0.0009","76.415","0.001","62.953","0.001","72.604","0.001","2599.5","0.3","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H77 Cu6 N36 O42 P W12 -","- C72 H72 Cu6 N36 O42 P W12 -","- C72 H72 Cu6 N36 O42 P W12 -","1","0.5","","Tian, Ai-xiang; Ying, Jun; Peng, Jun; Sha, Jing-quan; Su, Zhong-min; Pang, Hai-jun; Zhang, Peng-peng; Chen, Yuan; Zhu, Min; Shen, Yan","Using Flexible and Rigid Organic Ligands to Tune Topology Structures Based on Keggin Polyoxometalates","Crystal Growth & Design","2010","10","3","1104","","10.1021/cg900806k","","","0.71073","MoKα","","0.0592","0.0521","","","0.1394","0.1444","","","","","","1.088","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502249","11.382","0.004","22.063","0.007","13.442","0.004","90","","113.458","0.005","90","","3096.6","1.7","187","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Cu6 N18 O40 Si W12 -","- C28 H28 Cu6 N18 O40 Si W12 -","- C56 H56 Cu12 N36 O80 Si2 W24 -","2","0.5","","Tian, Ai-xiang; Ying, Jun; Peng, Jun; Sha, Jing-quan; Su, Zhong-min; Pang, Hai-jun; Zhang, Peng-peng; Chen, Yuan; Zhu, Min; Shen, Yan","Using Flexible and Rigid Organic Ligands to Tune Topology Structures Based on Keggin Polyoxometalates","Crystal Growth & Design","2010","10","3","1104","","10.1021/cg900806k","","","0.71073","MoKα","","0.1089","0.0767","","","0.1345","0.1462","","","","","","1.094","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502250","8.963","0.0018","10.197","0.002","10.199","0.002","65.14","0.03","70.43","0.03","84.41","0.03","795.9","0.4","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H14 Cl N10 O6 Pr -","- C7 H14 Cl N10 O6 Pr -","- C14 H28 Cl2 N20 O12 Pr2 -","2","1","","Li, Qiao-Yun; Yang, Gao-Wen; Tang, Xiao-Yan; Ma, Yun-Sheng; Yao, Wen; Zhou, Feng; Chen, Juan; Zhou, Hao","Constructions of a Set of New Lanthanide-Based Coordination Polymers with Hatza Ligands (Hatza = 5-Aminotetrazole−1-Acetic Acid)","Crystal Growth & Design","2010","10","1","165","","10.1021/cg900807t","","","0.71073","MoKα","","0.0297","0.0248","","","0.0513","0.0618","","","","","","1.048","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502251","8.9228","0.0018","10.135","0.002","10.156","0.002","65.05","0.03","70.52","0.03","84.41","0.03","784","0.4","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H14 Cl N10 Nd O6 -","- C7 H14 Cl N10 Nd O6 -","- C14 H28 Cl2 N20 Nd2 O12 -","2","1","","Li, Qiao-Yun; Yang, Gao-Wen; Tang, Xiao-Yan; Ma, Yun-Sheng; Yao, Wen; Zhou, Feng; Chen, Juan; Zhou, Hao","Constructions of a Set of New Lanthanide-Based Coordination Polymers with Hatza Ligands (Hatza = 5-Aminotetrazole−1-Acetic Acid)","Crystal Growth & Design","2010","10","1","165","","10.1021/cg900807t","","","0.71073","MoKα","","0.0291","0.0248","","","0.0562","0.0574","","","","","","1.05","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502252","8.8778","0.0018","10.083","0.002","10.093","0.002","65.05","0.03","84.49","0.03","70.63","0.03","771.8","0.4","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H14 Cl N10 O6 Sm -","- C7 H14 Cl N10 O6 Sm -","- C14 H28 Cl2 N20 O12 Sm2 -","2","1","","Li, Qiao-Yun; Yang, Gao-Wen; Tang, Xiao-Yan; Ma, Yun-Sheng; Yao, Wen; Zhou, Feng; Chen, Juan; Zhou, Hao","Constructions of a Set of New Lanthanide-Based Coordination Polymers with Hatza Ligands (Hatza = 5-Aminotetrazole−1-Acetic Acid)","Crystal Growth & Design","2010","10","1","165","","10.1021/cg900807t","","","0.71073","MoKα","","0.0308","0.026","","","0.0493","0.0545","","","","","","1.165","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502253","9.3212","0.0019","10.141","0.002","10.197","0.002","60.34","0.02","76.87","0.03","86.754","0.018","813.9","0.3","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H14 Cl Eu N10 O7 -","- C6 H14 Cl Eu N10 O7 -","- C12 H28 Cl2 Eu2 N20 O14 -","2","1","","Li, Qiao-Yun; Yang, Gao-Wen; Tang, Xiao-Yan; Ma, Yun-Sheng; Yao, Wen; Zhou, Feng; Chen, Juan; Zhou, Hao","Constructions of a Set of New Lanthanide-Based Coordination Polymers with Hatza Ligands (Hatza = 5-Aminotetrazole−1-Acetic Acid)","Crystal Growth & Design","2010","10","1","165","","10.1021/cg900807t","","","0.71073","MoKα","","0.0459","0.042","","","0.0964","0.0972","","","","","","1.078","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502254","9.3156","0.0019","10.118","0.002","10.184","0.002","60.41","0.03","76.8","0.03","86.8","0.03","810.8","0.4","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H14 Cl Gd N10 O7 -","- C6 H14 Cl Gd N10 O7 -","- C12 H28 Cl2 Gd2 N20 O14 -","2","1","","Li, Qiao-Yun; Yang, Gao-Wen; Tang, Xiao-Yan; Ma, Yun-Sheng; Yao, Wen; Zhou, Feng; Chen, Juan; Zhou, Hao","Constructions of a Set of New Lanthanide-Based Coordination Polymers with Hatza Ligands (Hatza = 5-Aminotetrazole−1-Acetic Acid)","Crystal Growth & Design","2010","10","1","165","","10.1021/cg900807t","","","0.71073","MoKα","","0.0247","0.0211","","","0.0424","0.0433","","","","","","1.071","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502255","4.9573","0.001","18.121","0.004","19.338","0.004","90","","92.28","0.03","90","","1735.8","0.6","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 Cl N10 O8 Tb -","- C6 H16 Cl N10 O8 Tb -","- C24 H64 Cl4 N40 O32 Tb4 -","4","1","","Li, Qiao-Yun; Yang, Gao-Wen; Tang, Xiao-Yan; Ma, Yun-Sheng; Yao, Wen; Zhou, Feng; Chen, Juan; Zhou, Hao","Constructions of a Set of New Lanthanide-Based Coordination Polymers with Hatza Ligands (Hatza = 5-Aminotetrazole−1-Acetic Acid)","Crystal Growth & Design","2010","10","1","165","","10.1021/cg900807t","","","0.71073","MoKα","","0.0346","0.0258","","","0.0494","0.0515","","","","","","1.079","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502256","12.173","0.002","7.3496","0.0015","18.45","0.004","90","","96.93","0.03","90","","1638.6","0.6","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H18 N O13 Pr -","- C9 H18 N O13 Pr -","- C36 H72 N4 O52 Pr4 -","4","1","","Yang, Ai-Hong; Zhao, Li-Hua; Quan, Ying-Ping; Gao, Hong-Ling; Cui, Jian-Zhong; Shi, Wei; Cheng, Peng","Formation of the Water Layer in Lanthanide Coordination Polymers with 6-Methyl-2,3,5-Pyridinetricarboxylate as a Novel Bridging Ligand","Crystal Growth & Design","2010","10","1","218","","10.1021/cg9008575","","","0.71073","MoKα","","0.0331","0.0283","","","0.0743","0.0805","","","","","","1.004","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502257","12.158","0.002","7.3294","0.0015","18.442","0.004","90","","96.93","0.03","90","","1631.4","0.6","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H18 N Nd O13 -","- C9 H18 N Nd O13 -","- C36 H72 N4 Nd4 O52 -","4","1","","Yang, Ai-Hong; Zhao, Li-Hua; Quan, Ying-Ping; Gao, Hong-Ling; Cui, Jian-Zhong; Shi, Wei; Cheng, Peng","Formation of the Water Layer in Lanthanide Coordination Polymers with 6-Methyl-2,3,5-Pyridinetricarboxylate as a Novel Bridging Ligand","Crystal Growth & Design","2010","10","1","218","","10.1021/cg9008575","","","0.71073","MoKα","","0.033","0.0275","","","0.0715","0.0902","","","","","","1.278","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502258","12.119","0.003","7.2957","0.0016","18.367","0.004","90","","96.775","0.002","90","","1612.6","0.6","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H18 N O13 Sm -","- C9 H18 N O13 Sm -","- C36 H72 N4 O52 Sm4 -","4","1","","Yang, Ai-Hong; Zhao, Li-Hua; Quan, Ying-Ping; Gao, Hong-Ling; Cui, Jian-Zhong; Shi, Wei; Cheng, Peng","Formation of the Water Layer in Lanthanide Coordination Polymers with 6-Methyl-2,3,5-Pyridinetricarboxylate as a Novel Bridging Ligand","Crystal Growth & Design","2010","10","1","218","","10.1021/cg9008575","","","0.7107","MoKα","","0.0285","0.0248","","","0.0631","0.0647","","","","","","1.069","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502259","12.056","0.002","7.2646","0.0015","18.356","0.004","90","","96.83","0.03","90","","1596.2","0.6","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H18 N O13 Tb -","- C9 H18 N O13 Tb -","- C36 H72 N4 O52 Tb4 -","4","1","","Yang, Ai-Hong; Zhao, Li-Hua; Quan, Ying-Ping; Gao, Hong-Ling; Cui, Jian-Zhong; Shi, Wei; Cheng, Peng","Formation of the Water Layer in Lanthanide Coordination Polymers with 6-Methyl-2,3,5-Pyridinetricarboxylate as a Novel Bridging Ligand","Crystal Growth & Design","2010","10","1","218","","10.1021/cg9008575","","","0.71073","MoKα","","0.0937","0.054","","","0.1127","0.1329","","","","","","1.023","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502260","46.434","0.005","3.9139","0.0005","34.656","0.004","90","","120.273","0.005","90","","5439.4","1.1","210","2","210","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27.69 H16.91 Br3 Cl0.86 O6.26 -","- C27.693 H16.914 Br3 Cl0.858 O6.264 -","- C221.544 H135.312 Br24 Cl6.864 O50.112 -","8","1","","Pigge, F. Christopher; Vangala, Venu R.; Swenson, Dale C.; Rath, Nigam P.","Examination of Halogen Bonding Interactions in Electronically Distinct but Structurally Related Tris(haloarenes)","Crystal Growth & Design","2010","10","1","224","","10.1021/cg9008625","","","0.71073","MoKα","","0.0603","0.0378","","","0.0805","0.0886","","","","","","1.016","","","","has coordinates,has disorder","179553","2020-10-21","18:00:00",""
"4502261","3.8968","0.0005","21.877","0.003","29.152","0.003","90","","91.083","0.005","90","","2484.8","0.5","190","2","190","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27.42 H16.02 Cl3.67 O6.09 -","- C27.426 H16.032 Cl3.672 O6.09 -","- C109.704 H64.128 Cl14.688 O24.36 -","4","1","","Pigge, F. Christopher; Vangala, Venu R.; Swenson, Dale C.; Rath, Nigam P.","Examination of Halogen Bonding Interactions in Electronically Distinct but Structurally Related Tris(haloarenes)","Crystal Growth & Design","2010","10","1","224","","10.1021/cg9008625","","","0.71073","MoKα","","0.1016","0.0551","","","0.1007","0.1189","","","","","","1.109","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4502262","19.872","0.002","3.8652","0.0005","28.764","0.003","90","","90.584","0.005","90","","2209.2","0.4","210","2","210","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H15 F3 O6 -","- C27 H15 F3 O6 -","- C108 H60 F12 O24 -","4","1","","Pigge, F. Christopher; Vangala, Venu R.; Swenson, Dale C.; Rath, Nigam P.","Examination of Halogen Bonding Interactions in Electronically Distinct but Structurally Related Tris(haloarenes)","Crystal Growth & Design","2010","10","1","224","","10.1021/cg9008625","","","0.71073","MoKα","","0.0472","0.0353","","","0.0848","0.0918","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502263","4.2535","0.0003","41.981","0.003","15.1423","0.0012","90","","97.928","0.004","90","","2678.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H32 Cl2 I6 O12 -","- C55 H32 Cl2 I6 O12 -","- C110 H64 Cl4 I12 O24 -","2","0.5","","Pigge, F. Christopher; Vangala, Venu R.; Swenson, Dale C.; Rath, Nigam P.","Examination of Halogen Bonding Interactions in Electronically Distinct but Structurally Related Tris(haloarenes)","Crystal Growth & Design","2010","10","1","224","","10.1021/cg9008625","","","0.71073","MoKα","","0.0837","0.0736","","","0.166","0.1698","","","","","","1.289","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502264","3.8321","0.0005","27.975","0.003","23.031","0.003","90","","90.108","0.006","90","","2469","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H15 Br3 O6 -","- C27 H15 Br3 O6 -","- C108 H60 Br12 O24 -","4","1","","Pigge, F. Christopher; Vangala, Venu R.; Swenson, Dale C.; Rath, Nigam P.","Examination of Halogen Bonding Interactions in Electronically Distinct but Structurally Related Tris(haloarenes)","Crystal Growth & Design","2010","10","1","224","","10.1021/cg9008625","","","0.71073","MoKα","","0.1882","0.1618","","","0.3622","0.3691","","","","","","2.289","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502265","11.9616","0.0013","14.2501","0.0015","14.9466","0.0016","90","","106.816","0.005","90","","2438.8","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H15 I3 O3 -","- C27 H15 I3 O3 -","- C108 H60 I12 O12 -","4","1","","Pigge, F. Christopher; Vangala, Venu R.; Swenson, Dale C.; Rath, Nigam P.","Examination of Halogen Bonding Interactions in Electronically Distinct but Structurally Related Tris(haloarenes)","Crystal Growth & Design","2010","10","1","224","","10.1021/cg9008625","","","0.71073","MoKα","","0.0292","0.0225","","","0.0478","0.0498","","","","","","1.079","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4502266","11.6382","0.0013","14.1355","0.0015","14.9051","0.0016","90","","109.07","0.005","90","","2317.5","0.4","190","2","190","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H15 Br3 O3 -","- C27 H15 Br3 O3 -","- C108 H60 Br12 O12 -","4","1","","Pigge, F. Christopher; Vangala, Venu R.; Swenson, Dale C.; Rath, Nigam P.","Examination of Halogen Bonding Interactions in Electronically Distinct but Structurally Related Tris(haloarenes)","Crystal Growth & Design","2010","10","1","224","","10.1021/cg9008625","","","0.71073","MoKα","","0.0492","0.0325","","","0.0682","0.0739","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502267","5.1881","0.0012","14.875","0.003","16.853","0.004","87.477","0.003","87.054","0.003","84.96","0.003","1292.8","0.5","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C25.5 H31 N3 O6.5 -","- C25.5 H31 N3 O6.5 -","- C51 H62 N6 O13 -","2","2","","Angelici, Gaetano; Castellucci, Nicola; Contaldi, Simone; Falini, Giuseppe; Hofmann, Hans-Jörg; Monari, Magda; Tomasini, Claudia","A Network of Small Molecules Connected by Cross-Linked NH Bonds","Crystal Growth & Design","2010","10","1","244","","10.1021/cg900874f","","","0.71073","MoKα","","0.0539","0.0465","","","0.1193","0.1256","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502268","5.2073","0.0004","15.1814","0.0012","16.731","0.0013","87.588","0.006","85.831","0.006","85.803","0.006","1314.72","0.18","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C26 H32 N3 O6.5 -","- C26 H32 N3 O6.5 -","- C52 H64 N6 O13 -","2","2","","Angelici, Gaetano; Castellucci, Nicola; Contaldi, Simone; Falini, Giuseppe; Hofmann, Hans-Jörg; Monari, Magda; Tomasini, Claudia","A Network of Small Molecules Connected by Cross-Linked NH Bonds","Crystal Growth & Design","2010","10","1","244","","10.1021/cg900874f","","","0.71073","MoKα","","0.1985","0.0923","","","0.1858","0.2282","","","","","","0.974","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502269","10.3361","0.0012","11.5818","0.0014","10.4904","0.0013","90","","92.6","0.001","90","","1254.5","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H29 N3 O6 -","- C25 H29 N3 O6 -","- C50 H58 N6 O12 -","2","1","","Angelici, Gaetano; Castellucci, Nicola; Contaldi, Simone; Falini, Giuseppe; Hofmann, Hans-Jörg; Monari, Magda; Tomasini, Claudia","A Network of Small Molecules Connected by Cross-Linked NH Bonds","Crystal Growth & Design","2010","10","1","244","","10.1021/cg900874f","","","0.71073","MoKα","","0.038","0.0362","","","0.1","0.1027","","","","","","1.022","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502270","7.7359","0.0009","10.1884","0.0012","12.5697","0.0015","90","","90","","90","","990.7","0.2","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- B6 Na3 O13 V -","- B6 Na3 O13 V -","- B24 Na12 O52 V4 -","4","1","","Fan, Xiaoyun; Pan, Shilie; Hou, Xueling; Tian, Xuelin; Han, Jian; Haag, Jacob; Poeppelmeier, Kenneth R.","Growth and Properties of Single Crystals of Noncentrosymmetric Na3VO2B6O11","Crystal Growth & Design","2010","10","1","252","","10.1021/cg900877h","","","0.71073","MoKα","","0.0274","0.0252","","","0.0673","0.0693","","","","","","1.075","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502271","31.283","0.004","14.5442","0.0018","8.6817","0.001","90","","96.033","0.007","90","","3928.2","0.8","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H32 Ce2 Cl N3 O23 -","- C21 H14 Ce2 Cl N3 O23 -","- C84 H56 Ce8 Cl4 N12 O92 -","4","0.5","","Silva, Patrícia; Valente, Anabela A.; Rocha, João; Almeida Paz, Filipe A.","Fast Microwave Synthesis of a Microporous Lanthanide−Organic Framework","Crystal Growth & Design","2010","10","5","2025","","10.1021/cg900884d","","","0.71073","MoKα","","0.0822","0.0511","","","0.1286","0.1465","","","","","","1.09","","","","has coordinates,has disorder","179553","2020-10-21","18:00:00",""
"4502272","9.682","0.002","10.102","0.002","11.134","0.002","67.128","0.003","77.118","0.003","66.641","0.003","918.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 Co2 N O8 -","- C20 H12 Co2 N O8 -","- C40 H24 Co4 N2 O16 -","2","1","","Lama, Prem; Aijaz, Arshad; Sañudo, E. Carolina; Bharadwaj, Parimal K.","Synthesis, Structure, and Magnetic Properties of Cobalt(II) Coordination Polymers from a New Tripodal Carboxylate Ligand: Weak Ferromagnetism and Metamagnetism","Crystal Growth & Design","2010","10","1","283","","10.1021/cg900896w","","","0.71073","MoKα","","0.0786","0.0535","","","0.1467","0.224","","","","","","1.192","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502273","7.839","0.003","10.71","0.003","10.935","0.006","100.064","0.007","110.271","0.006","97.693","0.007","828.9","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 Co2 O11 -","- C15 H14 Co2 O11 -","- C30 H28 Co4 O22 -","2","1","","Lama, Prem; Aijaz, Arshad; Sañudo, E. Carolina; Bharadwaj, Parimal K.","Synthesis, Structure, and Magnetic Properties of Cobalt(II) Coordination Polymers from a New Tripodal Carboxylate Ligand: Weak Ferromagnetism and Metamagnetism","Crystal Growth & Design","2010","10","1","283","","10.1021/cg900896w","","","0.71069","MoKα","","0.1012","0.0602","","","0.1356","0.205","","","","","","1.123","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502274","9.584","0.005","10.442","0.006","12.357","0.006","100.584","0.003","104.738","0.008","94.047","0.005","1166.6","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H19 Co1.5 N2 O7 -","- C27 H19 Co1.5 N2 O7 -","- C54 H38 Co3 N4 O14 -","2","1","","Lama, Prem; Aijaz, Arshad; Sañudo, E. Carolina; Bharadwaj, Parimal K.","Synthesis, Structure, and Magnetic Properties of Cobalt(II) Coordination Polymers from a New Tripodal Carboxylate Ligand: Weak Ferromagnetism and Metamagnetism","Crystal Growth & Design","2010","10","1","283","","10.1021/cg900896w","","","0.71069","MoKα","","0.1073","0.0701","","","0.1868","0.2915","","","","","","1.129","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502275","9.435","0.004","10.818","0.004","12.97","0.006","66.065","0.003","70.289","0.005","87.504","0.007","1132.4","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H17 Co1.5 N2 O7 -","- C25 H17 Co1.5 N2 O7 -","- C50 H34 Co3 N4 O14 -","2","1","","Lama, Prem; Aijaz, Arshad; Sañudo, E. Carolina; Bharadwaj, Parimal K.","Synthesis, Structure, and Magnetic Properties of Cobalt(II) Coordination Polymers from a New Tripodal Carboxylate Ligand: Weak Ferromagnetism and Metamagnetism","Crystal Growth & Design","2010","10","1","283","","10.1021/cg900896w","","","0.71069","MoKα","","0.1125","0.0879","","","0.2462","0.2982","","","","","","1.139","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502276","23.6415","0.0009","23.6415","0.0009","23.7812","0.0013","90","","90","","120","","11511","0.9","100","2","100","2","","","","","","","","5","P 63","P 6c","173","","","","- C378 H126 Cl6 Mn3 N20 -","- C378.025 H126.017 Cl6.0084 Mn3 N20 -","- C756.05 H252.034 Cl12.0168 Mn6 N40 -","2","0.333333","","Konarev, Dmitri V.; Khasanov, Salavat S.; Lyubovskaya, Rimma N.","Molecular Complex of Fullerene C70with a Trinuclear Coordination Assembly of Manganese(II) Tetraphenylporphyrins with Octaazacryptand","Crystal Growth & Design","2010","10","4","1451","","10.1021/cg900902f","","","0.71073","","","0.129","0.09","","","0.2443","0.2749","","","","","","1.051","","","","has coordinates,has disorder","179553","2020-10-21","18:00:00",""
"4502277","12.12","0.002","12.459","0.003","15.197","0.003","81.08","0.03","76.63","0.03","80.09","0.03","2183.3","0.8","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H60 N6 O9 -","- C45 H60 N6 O9 -","- C90 H120 N12 O18 -","2","1","","Shi, Yan-Yan; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Crystalline Self-Assembly of a Bowl-Like Cyclotriguaiacylene Derivative with Alcohol/Phenols by Hydrogen Bonding and C−H···π Interactions: The Self-Inclusion Extended Organic Frameworks","Crystal Growth & Design","2010","10","1","314","","10.1021/cg900905h","","","0.71073","MoKα","","0.0876","0.0741","","","0.1845","0.1946","","","","","","1.123","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502278","12.222","0.002","29.101","0.006","12.999","0.003","90","","102.65","0.03","90","","4511.2","1.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H54 N8 O8 -","- C49 H54 N8 O8 -","- C196 H216 N32 O32 -","4","1","","Shi, Yan-Yan; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Crystalline Self-Assembly of a Bowl-Like Cyclotriguaiacylene Derivative with Alcohol/Phenols by Hydrogen Bonding and C−H···π Interactions: The Self-Inclusion Extended Organic Frameworks","Crystal Growth & Design","2010","10","1","314","","10.1021/cg900905h","","","0.71073","MoKα","","0.0653","0.0581","","","0.1382","0.1432","","","","","","1.155","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502279","12.25","0.003","29.054","0.006","13.003","0.003","90","","101.95","0.03","90","","4527.6","1.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H54 N8 O9 -","- C49 H54 N8 O9 -","- C196 H216 N32 O36 -","4","1","","Shi, Yan-Yan; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Crystalline Self-Assembly of a Bowl-Like Cyclotriguaiacylene Derivative with Alcohol/Phenols by Hydrogen Bonding and C−H···π Interactions: The Self-Inclusion Extended Organic Frameworks","Crystal Growth & Design","2010","10","1","314","","10.1021/cg900905h","","","0.71073","MoKα","","0.1054","0.08","","","0.1614","0.1732","","","","","","1.174","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502280","7.9865","0.0012","10.4948","0.0016","13.6062","0.0019","75.048","0.007","84.279","0.007","70.711","0.007","1039.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H29 Cu N2 O9.5 -","- C15 H20 Cu N2 O9.5 -","- C30 H40 Cu2 N4 O19 -","2","1","","Khatua, Snehadrinarayan; Kang, Jina; Huh, Jung Oh; Hong, Chang Seop; Churchill, David G.","Synthesis, Structure, and Magnetic Properties of Closely Related Mono- and Di-Cu(II) Schiff Base Complexes: Formation of Water Clusters and Hydrogen-Bonded Networks","Crystal Growth & Design","2010","10","1","327","","10.1021/cg900917v","","","0.71073","MoKα","","0.0826","0.0464","","","0.1264","0.1452","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502281","26.4766","0.0018","9.8815","0.0007","15.11","0.0011","90","","112.353","0.004","90","","3656.2","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H50 Cu2 N4 O15 -","- C28 H37 Cu2 N4 O15 -","- C112 H148 Cu8 N16 O60 -","4","0.5","","Khatua, Snehadrinarayan; Kang, Jina; Huh, Jung Oh; Hong, Chang Seop; Churchill, David G.","Synthesis, Structure, and Magnetic Properties of Closely Related Mono- and Di-Cu(II) Schiff Base Complexes: Formation of Water Clusters and Hydrogen-Bonded Networks","Crystal Growth & Design","2010","10","1","327","","10.1021/cg900917v","","","0.71073","MoKα","","0.0952","0.0669","","","0.1978","0.2266","","","","","","1.096","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502282","7.7062","0.0015","10.66","0.002","11.619","0.002","114.72","0.03","104.23","0.03","94.37","0.03","822.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H36 N20 O8 Zn2 -","- C20 H36 N20 O8 Zn2 -","- C20 H36 N20 O8 Zn2 -","1","0.5","","Tao, Ying; Li, Jian-Rong; Chang, Ze; Bu, Xian-He","ZnIIand HgIIComplexes with 2,3-Substituted-5,6-di(1H-tetrazol-5-yl)pyrazine Ligands: Roles of Substituting Groups and Synthetic Conditions on the Formation of Complexes","Crystal Growth & Design","2010","10","2","564","","10.1021/cg900934u","","","0.71073","MoKα","","0.0537","0.05","","","0.1271","0.131","","","","","","1.061","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502283","23.783","0.003","23.783","0.003","13.842","0.003","90","","90","","120","","6780.5","1.9","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C10 H10.5 N10 O0.25 Zn -","- C10 H8 N10 O0.25 Zn -","- C180 H144 N180 O4.5 Zn18 -","18","1","","Tao, Ying; Li, Jian-Rong; Chang, Ze; Bu, Xian-He","ZnIIand HgIIComplexes with 2,3-Substituted-5,6-di(1H-tetrazol-5-yl)pyrazine Ligands: Roles of Substituting Groups and Synthetic Conditions on the Formation of Complexes","Crystal Growth & Design","2010","10","2","564","","10.1021/cg900934u","","","0.71073","MoKα","","0.1121","0.0744","","","0.1789","0.1969","","","","","","1.123","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502284","14.228","0.003","14.449","0.003","16.065","0.003","83.85","0.03","87.63","0.03","70.23","0.03","3090.1","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H84 N60 O12 Zn6 -","- C108 H84 N60 O12 Zn6 -","- C108 H84 N60 O12 Zn6 -","1","0.5","","Tao, Ying; Li, Jian-Rong; Chang, Ze; Bu, Xian-He","ZnIIand HgIIComplexes with 2,3-Substituted-5,6-di(1H-tetrazol-5-yl)pyrazine Ligands: Roles of Substituting Groups and Synthetic Conditions on the Formation of Complexes","Crystal Growth & Design","2010","10","2","564","","10.1021/cg900934u","","","0.71073","MoKα","","0.108","0.0692","","","0.1403","0.1533","","","","","","1.101","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502285","19.431","0.007","19.431","0.007","18.713","0.004","90","","90","","90","","7065","4","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C18 H10 N10 O0 Zn -","- C18 H10 N10 Zn -","- C288 H160 N160 Zn16 -","16","1","","Tao, Ying; Li, Jian-Rong; Chang, Ze; Bu, Xian-He","ZnIIand HgIIComplexes with 2,3-Substituted-5,6-di(1H-tetrazol-5-yl)pyrazine Ligands: Roles of Substituting Groups and Synthetic Conditions on the Formation of Complexes","Crystal Growth & Design","2010","10","2","564","","10.1021/cg900934u","","","0.71073","MoKα","","0.1238","0.0836","","","0.1215","0.1331","","","","","","1.186","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502286","10.064","0.002","13.053","0.003","12.178","0.002","90","","101.49","0.03","90","","1567.7","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 Br Hg N10 O0 -","- C10 H11 Br Hg N10 -","- C40 H44 Br4 Hg4 N40 -","4","1","","Tao, Ying; Li, Jian-Rong; Chang, Ze; Bu, Xian-He","ZnIIand HgIIComplexes with 2,3-Substituted-5,6-di(1H-tetrazol-5-yl)pyrazine Ligands: Roles of Substituting Groups and Synthetic Conditions on the Formation of Complexes","Crystal Growth & Design","2010","10","2","564","","10.1021/cg900934u","","","0.71073","MoKα","","0.059","0.0411","","","0.0727","0.0785","","","","","","0.963","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502287","7.2484","0.0014","16.064","0.003","17.506","0.003","73.78","0.03","79.86","0.03","83.75","0.03","1922.8","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H54 Hg4 N40 O7 -","- C72 H54 Hg4 N40 O7 -","- C72 H54 Hg4 N40 O7 -","1","0.5","","Tao, Ying; Li, Jian-Rong; Chang, Ze; Bu, Xian-He","ZnIIand HgIIComplexes with 2,3-Substituted-5,6-di(1H-tetrazol-5-yl)pyrazine Ligands: Roles of Substituting Groups and Synthetic Conditions on the Formation of Complexes","Crystal Growth & Design","2010","10","2","564","","10.1021/cg900934u","","","0.71073","MoKα","","0.0747","0.0482","","","0.087","0.0948","","","","","","1.03","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502288","9.5499","0.0019","26.263","0.005","15.567","0.003","90","","90","","90","","3904.3","1.3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C144 H84 Br8 Hg12 N80 O2 -","- C144 H84 Br8 Hg12 N80 O2 -","- C144 H84 Br8 Hg12 N80 O2 -","1","0.125","","Tao, Ying; Li, Jian-Rong; Chang, Ze; Bu, Xian-He","ZnIIand HgIIComplexes with 2,3-Substituted-5,6-di(1H-tetrazol-5-yl)pyrazine Ligands: Roles of Substituting Groups and Synthetic Conditions on the Formation of Complexes","Crystal Growth & Design","2010","10","2","564","","10.1021/cg900934u","","","0.71073","MoKα","","0.0673","0.054","","","0.1518","0.1615","","","","","","1.056","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502289","7.5238","0.0007","20.237","0.002","10.1313","0.0009","90","","96.131","0.007","90","","1533.8","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 N4 O8 -","- C34 H28 N4 O8 -","- C68 H56 N8 O16 -","2","0.5","","Singh, Devendra; Bhattacharyya, Pradip K.; Baruah, Jubaraj B.","Structural Studies on Solvates of Cyclic Imide Tethered Carboxylic Acids with Pyridine and Quinoline","Crystal Growth & Design","2010","10","1","348","","10.1021/cg900938x","","","0.71073","MoKα","","0.1291","0.0688","","","0.1675","0.2029","","","","","","1.006","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502290","7.4716","0.0003","20.7861","0.001","12.8464","0.0006","90","","96.274","0.002","90","","1983.17","0.16","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H36 N4 O8 -","- C50 H36 N4 O8 -","- C100 H72 N8 O16 -","2","0.5","","Singh, Devendra; Bhattacharyya, Pradip K.; Baruah, Jubaraj B.","Structural Studies on Solvates of Cyclic Imide Tethered Carboxylic Acids with Pyridine and Quinoline","Crystal Growth & Design","2010","10","1","348","","10.1021/cg900938x","","","0.71073","MoKα","","0.0799","0.044","","","0.1005","0.1178","","","","","","1.016","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502291","13.2197","0.0013","14.1173","0.0013","27.683","0.003","90","","99.663","0.008","90","","5093.1","0.9","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H21 N3 O6 -","- C30 H21 N3 O6 -","- C240 H168 N24 O48 -","8","1","","Singh, Devendra; Bhattacharyya, Pradip K.; Baruah, Jubaraj B.","Structural Studies on Solvates of Cyclic Imide Tethered Carboxylic Acids with Pyridine and Quinoline","Crystal Growth & Design","2010","10","1","348","","10.1021/cg900938x","","","0.71073","MoKα","","0.0725","0.0509","","","0.1295","0.1419","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502292","23.7837","0.0011","12.7985","0.0005","3.8331","0.0002","90","","98.111","0.004","90","","1155.11","0.09","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26 H19 N3 O6 -","- C26 H19 N3 O6 -","- C52 H38 N6 O12 -","2","0.5","","Singh, Devendra; Bhattacharyya, Pradip K.; Baruah, Jubaraj B.","Structural Studies on Solvates of Cyclic Imide Tethered Carboxylic Acids with Pyridine and Quinoline","Crystal Growth & Design","2010","10","1","348","","10.1021/cg900938x","","","0.71073","MoKα","","0.0338","0.031","","","0.0798","0.0824","","","","","","1.05","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502293","17.6509","0.001","12.4017","0.0007","8.1183","0.0005","90","","102.295","0.003","90","","1736.35","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 O4 -","- C20 H14 N2 O4 -","- C80 H56 N8 O16 -","4","1","","Singh, Devendra; Bhattacharyya, Pradip K.; Baruah, Jubaraj B.","Structural Studies on Solvates of Cyclic Imide Tethered Carboxylic Acids with Pyridine and Quinoline","Crystal Growth & Design","2010","10","1","348","","10.1021/cg900938x","","","0.71073","MoKα","","0.0922","0.0472","","","0.1367","0.166","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502294","7.8269","0.0003","13.0543","0.0005","15.4327","0.0005","102.436","0.002","100.873","0.003","102.566","0.003","1456.36","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H24 N4 O8 -","- C32 H24 N4 O8 -","- C64 H48 N8 O16 -","2","1","","Singh, Devendra; Bhattacharyya, Pradip K.; Baruah, Jubaraj B.","Structural Studies on Solvates of Cyclic Imide Tethered Carboxylic Acids with Pyridine and Quinoline","Crystal Growth & Design","2010","10","1","348","","10.1021/cg900938x","","","0.71073","MoKα","","0.0746","0.0455","","","0.1095","0.1272","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502295","8.1612","0.0003","9.2908","0.0003","13.3668","0.0004","100.934","0.002","96.943","0.002","95.88","0.002","979.62","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H16 N2 O4 -","- C24 H16 N2 O4 -","- C48 H32 N4 O8 -","2","1","","Singh, Devendra; Bhattacharyya, Pradip K.; Baruah, Jubaraj B.","Structural Studies on Solvates of Cyclic Imide Tethered Carboxylic Acids with Pyridine and Quinoline","Crystal Growth & Design","2010","10","1","348","","10.1021/cg900938x","","","0.71073","MoKα","","0.1328","0.0516","","","0.1117","0.1411","","","","","","1.001","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502296","13.6989","0.0007","16.5216","0.0008","12.823","0.0007","90","","106.265","0.003","90","","2786","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H23 N3 O6 -","- C34 H23 N3 O6 -","- C136 H92 N12 O24 -","4","1","","Singh, Devendra; Bhattacharyya, Pradip K.; Baruah, Jubaraj B.","Structural Studies on Solvates of Cyclic Imide Tethered Carboxylic Acids with Pyridine and Quinoline","Crystal Growth & Design","2010","10","1","348","","10.1021/cg900938x","","","0.71073","MoKα","","0.0594","0.0399","","","0.0941","0.1127","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502297","28.285","0.0015","17.141","0.005","7.163","0.008","90","","90","","90","","3473","4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C36 H34 N6 O11 Zn -","- C36 H34 N6 O11 Zn -","- C144 H136 N24 O44 Zn4 -","4","0.5","","Liu, Ying; Yan, Peng-Fei; Yu, Ying-Hui; Hou, Guang-Feng; Gao, Jin-Sheng; Lu, Jack Y.","Syntheses, Structures, and Characterizations of a Series of Polymers Constructed by Two V-Shape Dipyridine-Containing Ligands","Crystal Growth & Design","2010","10","4","1559","","10.1021/cg900942e","","","0.71073","MoKα","","0.1115","0.0639","","","0.1281","0.1467","","","","","","1.05","","","","has coordinates,has disorder","179553","2020-10-21","18:00:00",""
"4502298","28.506","0.002","17.416","0.004","7.062","0.008","90","","90","","90","","3506","4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C36 H34 Cd N6 O11 -","- C36 H34 Cd N6 O11 -","- C144 H136 Cd4 N24 O44 -","4","0.5","","Liu, Ying; Yan, Peng-Fei; Yu, Ying-Hui; Hou, Guang-Feng; Gao, Jin-Sheng; Lu, Jack Y.","Syntheses, Structures, and Characterizations of a Series of Polymers Constructed by Two V-Shape Dipyridine-Containing Ligands","Crystal Growth & Design","2010","10","4","1559","","10.1021/cg900942e","","","0.71073","MoKα","","0.0628","0.0386","","","0.0809","0.0907","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502299","28.494","0.006","17.351","0.004","7.133","0.0014","90","","90","","90","","3526.6","1.3","291","2","291","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C36 H34 Hg N6 O11 -","- C36 H34 Hg N6 O11 -","- C144 H136 Hg4 N24 O44 -","4","0.5","","Liu, Ying; Yan, Peng-Fei; Yu, Ying-Hui; Hou, Guang-Feng; Gao, Jin-Sheng; Lu, Jack Y.","Syntheses, Structures, and Characterizations of a Series of Polymers Constructed by Two V-Shape Dipyridine-Containing Ligands","Crystal Growth & Design","2010","10","4","1559","","10.1021/cg900942e","","","0.71073","MoKα","","0.0387","0.0254","","","0.051","0.0561","","","","","","1.044","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4502300","8.7756","0.0018","16.381","0.003","14.364","0.003","90","","93.67","0.03","90","","2060.6","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C77 H68 Cl8 N9 O8 Zn4 -","- C77 H68 Cl8 N9 O8 Zn4 -","- C77 H68 Cl8 N9 O8 Zn4 -","1","0.25","","Liu, Ying; Yan, Peng-Fei; Yu, Ying-Hui; Hou, Guang-Feng; Gao, Jin-Sheng; Lu, Jack Y.","Syntheses, Structures, and Characterizations of a Series of Polymers Constructed by Two V-Shape Dipyridine-Containing Ligands","Crystal Growth & Design","2010","10","4","1559","","10.1021/cg900942e","","","0.71073","MoKα","","0.0748","0.0461","","","0.1206","0.1332","","","","","","1.047","","","","has coordinates,has disorder","179554","2020-10-21","18:00:00",""
"4502301","13.04","0.003","8.8214","0.0018","16.59","0.003","90","","102.43","0.03","90","","1863.6","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Cl2 Hg N2 O4 -","- C18 H16 Cl2 Hg N2 O4 -","- C72 H64 Cl8 Hg4 N8 O16 -","4","1","","Liu, Ying; Yan, Peng-Fei; Yu, Ying-Hui; Hou, Guang-Feng; Gao, Jin-Sheng; Lu, Jack Y.","Syntheses, Structures, and Characterizations of a Series of Polymers Constructed by Two V-Shape Dipyridine-Containing Ligands","Crystal Growth & Design","2010","10","4","1559","","10.1021/cg900942e","","","0.71073","MoKα","","0.0682","0.0503","","","0.1303","0.1467","","","","","","0.787","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502302","14.714","0.003","7.9808","0.0016","25.341","0.005","90","","104.63","0.03","90","","2879.3","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H56 Cu4 N4 O20 -","- C52 H56 Cu4 N4 O20 -","- C104 H112 Cu8 N8 O40 -","2","0.5","","Liu, Ying; Yan, Peng-Fei; Yu, Ying-Hui; Hou, Guang-Feng; Gao, Jin-Sheng; Lu, Jack Y.","Syntheses, Structures, and Characterizations of a Series of Polymers Constructed by Two V-Shape Dipyridine-Containing Ligands","Crystal Growth & Design","2010","10","4","1559","","10.1021/cg900942e","","","0.71073","MoKα","","0.0556","0.043","","","0.1235","0.1306","","","","","","1.073","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502303","14.774","0.003","8.0109","0.0016","15.737","0.003","90","","109.92","0.03","90","","1751.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Ag N3 O5 -","- C18 H16 Ag N3 O5 -","- C72 H64 Ag4 N12 O20 -","4","1","","Liu, Ying; Yan, Peng-Fei; Yu, Ying-Hui; Hou, Guang-Feng; Gao, Jin-Sheng; Lu, Jack Y.","Syntheses, Structures, and Characterizations of a Series of Polymers Constructed by Two V-Shape Dipyridine-Containing Ligands","Crystal Growth & Design","2010","10","4","1559","","10.1021/cg900942e","","","0.71073","MoKα","","0.0426","0.034","","","0.0797","0.0843","","","","","","1.034","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502304","10.098","0.002","17.66","0.004","11.824","0.002","90","","102.86","0.03","90","","2055.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Cu N4 O10 -","- C18 H20 Cu N4 O10 -","- C72 H80 Cu4 N16 O40 -","4","1","","Liu, Ying; Yan, Peng-Fei; Yu, Ying-Hui; Hou, Guang-Feng; Gao, Jin-Sheng; Lu, Jack Y.","Syntheses, Structures, and Characterizations of a Series of Polymers Constructed by Two V-Shape Dipyridine-Containing Ligands","Crystal Growth & Design","2010","10","4","1559","","10.1021/cg900942e","","","0.71073","MoKα","","0.1241","0.069","","","0.1691","0.2012","","","","","","1.045","","","","has coordinates,has disorder","179554","2020-10-21","18:00:00",""
"4502305","8.623","0.003","9.893","0.003","18.924","0.005","90","","90","","90","","1614.4","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H9 Cu O9 P -","- C2 H9 Cu O9 P -","- C16 H72 Cu8 O72 P8 -","8","1","","Demadis, Konstantinos D.; Papadaki, Maria; Aranda, Miguel A. G.; Cabeza, Aurelio; Olivera-Pastor, Pascual; Sanakis, Yiannis","Stepwise Topotactic Transformations (1D to 3D) in Copper Carboxyphosphonate Materials: Structural Correlations","Crystal Growth & Design","2010","10","1","357","","10.1021/cg900943x","","","0.71073","MoKα","","0.0413","0.0315","","","0.0646","0.0673","","","","","","1.087","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502306","8.7008","0.0005","9.96","0.0006","17.0108","0.0009","90","","90","","90","","1474.16","0.15","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 Cu O8 P -","- C2 Cu O8 P -","- C16 Cu8 O64 P8 -","8","1","","Demadis, Konstantinos D.; Papadaki, Maria; Aranda, Miguel A. G.; Cabeza, Aurelio; Olivera-Pastor, Pascual; Sanakis, Yiannis","Stepwise Topotactic Transformations (1D to 3D) in Copper Carboxyphosphonate Materials: Structural Correlations","Crystal Growth & Design","2010","10","1","357","","10.1021/cg900943x","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502307","8.64","0.004","9.8981","0.003","19.073","0.013","90","","90","","90","","1631.1","1.4","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 Cu O9 P -","- C2 Cu O9 P -","- C16 Cu8 O72 P8 -","8","1","","Demadis, Konstantinos D.; Papadaki, Maria; Aranda, Miguel A. G.; Cabeza, Aurelio; Olivera-Pastor, Pascual; Sanakis, Yiannis","Stepwise Topotactic Transformations (1D to 3D) in Copper Carboxyphosphonate Materials: Structural Correlations","Crystal Growth & Design","2010","10","1","357","","10.1021/cg900943x","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502308","8.60953","0.00013","9.89223","0.00014","11.7314","0.00016","90","","90","","90","","999.13","0.02","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 Cu O6 P -","- C2 Cu O6 P -","- C16 Cu8 O48 P8 -","8","1","","Demadis, Konstantinos D.; Papadaki, Maria; Aranda, Miguel A. G.; Cabeza, Aurelio; Olivera-Pastor, Pascual; Sanakis, Yiannis","Stepwise Topotactic Transformations (1D to 3D) in Copper Carboxyphosphonate Materials: Structural Correlations","Crystal Growth & Design","2010","10","1","357","","10.1021/cg900943x","powder diffraction","x-ray","1.5406","","","","","","","","","0.03556","","3.02","","","","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502309","14.5563","0.0001","20.6368","0.0002","23.5798","0.0002","102.312","0.0003","90.8464","0.0003","104.953","0.0003","6667.7","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C145.5 H107 Cl3 O24 P6 Ru6 -","- C145.5 H104 Cl3 O24 P6 Ru6 -","- C291 H208 Cl6 O48 P12 Ru12 -","2","1","","Shiu, Kom-Bei; Lee, Hon-Chan; Lee, Gene-Hsiang","Enabling Solvated Single-Crystal-to-Single-Crystal Transformation that Forms a Porous Molecular Crystal by Intermolecular Multiphenyl-Embrace Interactions and Substituent Effects","Crystal Growth & Design","2010","10","5","2083","","10.1021/cg900979z","","","0.71073","MoKα","","0.1028","0.0697","","","0.1746","0.2002","","","","","","1.128","","","","has coordinates,has disorder","192782","2020-10-21","18:00:00",""
"4502310","14.6947","0.0002","20.7072","0.0003","23.7135","0.0003","103.163","0.0007","90.7977","0.0007","105.061","0.0005","6764.23","0.16","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C144.5 H103 Cl O24 P6 Ru6 -","- C144.5 H102 Cl O24 P6 Ru6 -","- C289 H204 Cl2 O48 P12 Ru12 -","2","1","","Shiu, Kom-Bei; Lee, Hon-Chan; Lee, Gene-Hsiang","Enabling Solvated Single-Crystal-to-Single-Crystal Transformation that Forms a Porous Molecular Crystal by Intermolecular Multiphenyl-Embrace Interactions and Substituent Effects","Crystal Growth & Design","2010","10","5","2083","","10.1021/cg900979z","","","0.71073","MoKα","","0.1319","0.0706","","","0.1707","0.2085","","","","","","1.064","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4502311","14.9065","0.0001","18.6261","0.0001","31.1236","0.0003","91.8258","0.0003","93.5056","0.0003","105.446","0.0003","8303.35","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C176 H170 Cl4 O24 P6 Ru6 -","- C176 H170 Cl4 O24 P6 Ru6 -","- C352 H340 Cl8 O48 P12 Ru12 -","2","1","","Shiu, Kom-Bei; Lee, Hon-Chan; Lee, Gene-Hsiang","Enabling Solvated Single-Crystal-to-Single-Crystal Transformation that Forms a Porous Molecular Crystal by Intermolecular Multiphenyl-Embrace Interactions and Substituent Effects","Crystal Growth & Design","2010","10","5","2083","","10.1021/cg900979z","","","0.71073","MoKα","","0.1224","0.07","","","0.1999","0.24","","","","","","1.058","","","","has coordinates,has disorder","179554","2020-10-21","18:00:00",""
"4502312","14.8136","0.0001","19.2894","0.0002","30.5678","0.0003","91.5372","0.0003","93.7756","0.0004","107.16","0.0004","8317.88","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C169.5 H152 Cl11 N O24 P6 Ru6 -","- C169.5 H152 Cl11 N O24 P6 Ru6 -","- C339 H304 Cl22 N2 O48 P12 Ru12 -","2","1","","Shiu, Kom-Bei; Lee, Hon-Chan; Lee, Gene-Hsiang","Enabling Solvated Single-Crystal-to-Single-Crystal Transformation that Forms a Porous Molecular Crystal by Intermolecular Multiphenyl-Embrace Interactions and Substituent Effects","Crystal Growth & Design","2010","10","5","2083","","10.1021/cg900979z","","","0.71073","MoKα","","0.1006","0.0706","","","0.1954","0.2262","","","","","","1.114","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4502313","8.2969","0.0017","21.756","0.004","13.781","0.003","90","","103.69","0.03","90","","2416.9","0.9","113","2","113","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 B2 Cd Cl6 F8 N12 -","- C38 H32 B2 Cd Cl6 F8 N12 -","- C76 H64 B4 Cd2 Cl12 F16 N24 -","2","0.5","","Li, Zuo-Xi; Hu, Tong-Liang; Ma, Hong; Zeng, Yong-Fei; Li, Cui-Jin; Tong, Ming-Liang; Bu, Xian-He","Adjusting the Porosity and Interpenetration of Cadmium(II) Coordination Polymers by Ligand Modification: Syntheses, Structures, and Adsorption Properties","Crystal Growth & Design","2010","10","3","1138","","10.1021/cg900980y","","","0.71073","MoKα","","0.0909","0.056","","","0.1086","0.121","","","","","","1.074","","","","has coordinates,has disorder","179554","2020-10-21","18:00:00",""
"4502314","21.844","0.004","14.217","0.003","26.213","0.005","90","","113.38","0.03","90","","7472","3","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H54 Cd Cl14 N12 O10 -","- C66 H54 Cd Cl14 N12 O10 -","- C264 H216 Cd4 Cl56 N48 O40 -","4","0.5","","Li, Zuo-Xi; Hu, Tong-Liang; Ma, Hong; Zeng, Yong-Fei; Li, Cui-Jin; Tong, Ming-Liang; Bu, Xian-He","Adjusting the Porosity and Interpenetration of Cadmium(II) Coordination Polymers by Ligand Modification: Syntheses, Structures, and Adsorption Properties","Crystal Growth & Design","2010","10","3","1138","","10.1021/cg900980y","","","0.71073","MoKα","","0.0486","0.0465","","","0.1022","0.1036","","","","","","1.085","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502315","21.545","0.002","21.545","0.002","19.137","0.003","90","","90","","120","","7693","1.6","113","2","113","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C78 H54 Cd Cl2 N12 O8 -","- C78 H54 Cd Cl2 N12 O8 -","- C234 H162 Cd3 Cl6 N36 O24 -","3","0.166667","","Li, Zuo-Xi; Hu, Tong-Liang; Ma, Hong; Zeng, Yong-Fei; Li, Cui-Jin; Tong, Ming-Liang; Bu, Xian-He","Adjusting the Porosity and Interpenetration of Cadmium(II) Coordination Polymers by Ligand Modification: Syntheses, Structures, and Adsorption Properties","Crystal Growth & Design","2010","10","3","1138","","10.1021/cg900980y","","","0.71073","MoKα","","0.0868","0.0845","","","0.2281","0.2311","","","","","","1.258","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502316","10.289","0.006","14.929","0.009","18.205","0.01","94.075","0.009","94.588","0.007","103.544","0.005","2698","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H67 Cl2 Gd3 N3 O39 P3 -","- C22 H51 Cl2 Gd3 N3 O39 P3 -","- C44 H102 Cl4 Gd6 N6 O78 P6 -","2","1","","Li, Xinfa; Liu, Tianfu; Lin, Qipu; Cao, Rong","Rare Earth Metal Oxalatophosphonates: Syntheses, Structure Diversity, and Photoluminescence Properties","Crystal Growth & Design","2010","10","2","608","","10.1021/cg900995u","","","0.71073","MoKα","","0.0383","0.0342","","","0.0806","0.0844","","","","","","1","","","","has coordinates,has disorder","179554","2020-10-21","18:00:00",""
"4502317","10.587","0.0005","26.0488","0.0011","11.7631","0.0005","90","","98.326","0.003","90","","3209.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H35 Gd3 N O30 P -","- C14 H31 Gd3 N O30 P -","- C56 H124 Gd12 N4 O120 P4 -","4","1","","Li, Xinfa; Liu, Tianfu; Lin, Qipu; Cao, Rong","Rare Earth Metal Oxalatophosphonates: Syntheses, Structure Diversity, and Photoluminescence Properties","Crystal Growth & Design","2010","10","2","608","","10.1021/cg900995u","","","0.71073","MoKα","","0.0307","0.0272","","","0.0671","0.0741","","","","","","1.054","","","","has coordinates,has disorder","179554","2020-10-21","18:00:00",""
"4502318","9.625","0.002","10.591","0.003","12.367","0.003","73.497","0.009","69.512","0.009","66.561","0.008","1068","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H21 Gd2 N O17 P -","- C11 H15 Gd2 N O17 P -","- C22 H30 Gd4 N2 O34 P2 -","2","1","","Li, Xinfa; Liu, Tianfu; Lin, Qipu; Cao, Rong","Rare Earth Metal Oxalatophosphonates: Syntheses, Structure Diversity, and Photoluminescence Properties","Crystal Growth & Design","2010","10","2","608","","10.1021/cg900995u","","","0.71073","MoKα","","0.0756","0.0722","","","0.1766","0.1826","","","","","","1.054","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502319","9.6595","0.0003","10.6553","0.0001","12.3775","0.0001","73.62","0.001","69.557","0.002","66.538","0.001","1079.78","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H21 N O17 P Sm2 -","- C11 H21 N O17 P Sm2 -","- C22 H42 N2 O34 P2 Sm4 -","2","1","","Li, Xinfa; Liu, Tianfu; Lin, Qipu; Cao, Rong","Rare Earth Metal Oxalatophosphonates: Syntheses, Structure Diversity, and Photoluminescence Properties","Crystal Growth & Design","2010","10","2","608","","10.1021/cg900995u","","","0.71073","MoKα","","0.0321","0.0291","","","0.0801","0.0908","","","","","","1.032","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502320","9.636","0.002","10.615","0.002","12.376","0.003","73.574","0.01","69.506","0.008","66.578","0.009","1072.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H21 Eu2 N O17 P -","- C11 H13 Eu2 N O17 P -","- C22 H26 Eu4 N2 O34 P2 -","2","1","","Li, Xinfa; Liu, Tianfu; Lin, Qipu; Cao, Rong","Rare Earth Metal Oxalatophosphonates: Syntheses, Structure Diversity, and Photoluminescence Properties","Crystal Growth & Design","2010","10","2","608","","10.1021/cg900995u","","","0.71073","MoKα","","0.0365","0.032","","","0.0912","0.1023","","","","","","1.06","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502321","9.597","0.002","10.525","0.002","12.36","0.003","73.492","0.011","69.486","0.009","66.6","0.009","1057.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H21 N O17 P Tb2 -","- C11 H15 N O17 P Tb2 -","- C22 H30 N2 O34 P2 Tb4 -","2","1","","Li, Xinfa; Liu, Tianfu; Lin, Qipu; Cao, Rong","Rare Earth Metal Oxalatophosphonates: Syntheses, Structure Diversity, and Photoluminescence Properties","Crystal Growth & Design","2010","10","2","608","","10.1021/cg900995u","","","0.71073","MoKα","","0.0426","0.0395","","","0.1024","0.1111","","","","","","1.004","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502322","9.581","0.003","10.495","0.003","12.354","0.004","73.344","0.015","69.465","0.015","66.584","0.014","1051.7","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H21 Dy2 N O17 P -","- C11 H21 Dy2 N O17 P -","- C22 H42 Dy4 N2 O34 P2 -","2","1","","Li, Xinfa; Liu, Tianfu; Lin, Qipu; Cao, Rong","Rare Earth Metal Oxalatophosphonates: Syntheses, Structure Diversity, and Photoluminescence Properties","Crystal Growth & Design","2010","10","2","608","","10.1021/cg900995u","","","0.71073","MoKα","","0.0321","0.0299","","","0.0709","0.0727","","","","","","1.008","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502323","9.555","0.0002","10.4579","0.0002","12.3349","0.0001","73.328","0.002","69.472","0.001","66.558","0.001","1043.33","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H21 Ho2 N O17 P -","- C11 H21 Ho2 N O17 P -","- C22 H42 Ho4 N2 O34 P2 -","2","1","","Li, Xinfa; Liu, Tianfu; Lin, Qipu; Cao, Rong","Rare Earth Metal Oxalatophosphonates: Syntheses, Structure Diversity, and Photoluminescence Properties","Crystal Growth & Design","2010","10","2","608","","10.1021/cg900995u","","","0.71073","MoKα","","0.0403","0.0303","","","0.0763","0.1071","","","","","","1.002","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502324","9.533","0.002","10.417","0.003","12.329","0.003","73.252","0.015","69.498","0.015","66.543","0.015","1036.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H21 Er2 N O17 P -","- C11 H21 Er2 N O17 P -","- C22 H42 Er4 N2 O34 P2 -","2","1","","Li, Xinfa; Liu, Tianfu; Lin, Qipu; Cao, Rong","Rare Earth Metal Oxalatophosphonates: Syntheses, Structure Diversity, and Photoluminescence Properties","Crystal Growth & Design","2010","10","2","608","","10.1021/cg900995u","","","0.71073","MoKα","","0.0473","0.0368","","","0.1198","0.1797","","","","","","1.003","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502325","9.4871","0.0002","10.3467","0.0002","12.3129","0.0001","73.082","0.002","69.581","0.001","66.441","0.001","1022","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H21 N O17 P Yb2 -","- C11 H17 N O17 P Yb2 -","- C22 H34 N2 O34 P2 Yb4 -","2","1","","Li, Xinfa; Liu, Tianfu; Lin, Qipu; Cao, Rong","Rare Earth Metal Oxalatophosphonates: Syntheses, Structure Diversity, and Photoluminescence Properties","Crystal Growth & Design","2010","10","2","608","","10.1021/cg900995u","","","0.71073","MoKα","","0.0491","0.0438","","","0.1184","0.1471","","","","","","1.04","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502326","9.566","0.004","10.458","0.004","12.36","0.005","73.314","0.019","69.54","0.016","66.572","0.016","1047.1","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H21 N O17 P Y2 -","- C11 H15 N O17 P Y2 -","- C22 H30 N2 O34 P2 Y4 -","2","1","","Li, Xinfa; Liu, Tianfu; Lin, Qipu; Cao, Rong","Rare Earth Metal Oxalatophosphonates: Syntheses, Structure Diversity, and Photoluminescence Properties","Crystal Growth & Design","2010","10","2","608","","10.1021/cg900995u","","","0.71073","MoKα","","0.058","0.0467","","","0.1075","0.1133","","","","","","1.002","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502327","19.8574","0.0009","20.9036","0.001","14.9561","0.0007","90","","90","","90","","6208.1","0.5","150","1","150","1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C62 H50 B2 F8 Fe N14 O6 -","- C62 H50 B2 F8 Fe N14 O6 -","- C248 H200 B8 F32 Fe4 N56 O24 -","4","0.5","","Reger, Daniel L.; Sirianni, Eric; Horger, Jacob J.; Smith, Mark D.; Semeniuc, Radu F.","Supramolecular Architectures of Metal Complexes Controlled by a Strong π···π Stacking, 1,8-Naphthalimide Functionalized Third Generation Tris(pyrazolyl)methane Ligand","Crystal Growth & Design","2010","10","1","386","","10.1021/cg901000d","","","0.71073","MoKα","","0.0881","0.048","","","0.093","0.1066","","","","","","0.939","","","","has coordinates,has disorder","179554","2020-10-21","18:00:00",""
"4502328","29.4569","0.0012","9.4286","0.0004","26.0582","0.0011","90","","106.96","0.001","90","","6922.6","0.5","150","1","150","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70 H62 B2 F8 Fe N18 O6 -","- C70 H62 B2 F8 Fe N18 O6 -","- C280 H248 B8 F32 Fe4 N72 O24 -","4","0.5","","Reger, Daniel L.; Sirianni, Eric; Horger, Jacob J.; Smith, Mark D.; Semeniuc, Radu F.","Supramolecular Architectures of Metal Complexes Controlled by a Strong π···π Stacking, 1,8-Naphthalimide Functionalized Third Generation Tris(pyrazolyl)methane Ligand","Crystal Growth & Design","2010","10","1","386","","10.1021/cg901000d","","","0.71073","MoKα","","0.0756","0.0496","","","0.1244","0.1353","","","","","","0.931","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502329","20.313","0.0007","20.8605","0.0008","15.1162","0.0006","90","","90","","90","","6405.3","0.4","150","1","150","1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C62 H50 B2 Cd F8 N14 O6 -","- C62 H50 B2 Cd F8 N14 O6 -","- C248 H200 B8 Cd4 F32 N56 O24 -","4","0.5","","Reger, Daniel L.; Sirianni, Eric; Horger, Jacob J.; Smith, Mark D.; Semeniuc, Radu F.","Supramolecular Architectures of Metal Complexes Controlled by a Strong π···π Stacking, 1,8-Naphthalimide Functionalized Third Generation Tris(pyrazolyl)methane Ligand","Crystal Growth & Design","2010","10","1","386","","10.1021/cg901000d","","","0.71073","MoKα","","0.0874","0.066","","","0.1817","0.1966","","","","","","1.048","","","","has coordinates,has disorder","179554","2020-10-21","18:00:00",""
"4502330","29.3169","0.0016","9.5421","0.0005","26.2643","0.0014","90","","108.627","0.001","90","","6962.4","0.6","150","1","150","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70 H64 B2 Cu F8 N17 O6.5 -","- C70 H64 B2 Cu F8 N17 O6.5 -","- C280 H256 B8 Cu4 F32 N68 O26 -","4","0.5","","Reger, Daniel L.; Sirianni, Eric; Horger, Jacob J.; Smith, Mark D.; Semeniuc, Radu F.","Supramolecular Architectures of Metal Complexes Controlled by a Strong π···π Stacking, 1,8-Naphthalimide Functionalized Third Generation Tris(pyrazolyl)methane Ligand","Crystal Growth & Design","2010","10","1","386","","10.1021/cg901000d","","","0.71073","MoKα","","0.0572","0.0424","","","0.1059","0.1125","","","","","","0.972","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4502331","5.2729","0.0009","14.33","0.003","23.822","0.004","90","","92.795","0.003","90","","1797.9","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1","Lamotrigine methylparaben cocrystal form I","","- C17 H15 Cl2 N5 O3 -","- C17 H15 Cl2 N5 O3 -","- C68 H60 Cl8 N20 O12 -","4","1","","Cheney, Miranda L.; Shan, Ning; Healey, Elisabeth R.; Hanna, Mazen; Wojtas, Lukasz; Zaworotko, Michael J.; Sava, Vasyl; Song, Shijie; Sanchez-Ramos, Juan R.","Effects of Crystal Form on Solubility and Pharmacokinetics: A Crystal Engineering Case Study of Lamotrigine","Crystal Growth & Design","2010","10","1","394","","10.1021/cg901010v","","","0.71073","MoKα","","0.1094","0.0626","","","0.1002","0.1133","","","","","","1.095","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502332","8.8957","0.0018","11.409","0.002","12.04","0.002","107.05","0.03","102.1","0.03","112.5","0.03","1005.1","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2","Lamotrigine methylparaben form II cocrystal","","- C17 H15 Cl2 N5 O3 -","- C17 H15 Cl2 N5 O3 -","- C34 H30 Cl4 N10 O6 -","2","1","","Cheney, Miranda L.; Shan, Ning; Healey, Elisabeth R.; Hanna, Mazen; Wojtas, Lukasz; Zaworotko, Michael J.; Sava, Vasyl; Song, Shijie; Sanchez-Ramos, Juan R.","Effects of Crystal Form on Solubility and Pharmacokinetics: A Crystal Engineering Case Study of Lamotrigine","Crystal Growth & Design","2010","10","1","394","","10.1021/cg901010v","","","0.71073","MoKα","","0.0929","0.0642","","","0.138","0.1542","","","","","","1.07","","","","has coordinates,has disorder","179554","2020-10-21","18:00:00",""
"4502333","7.3047","0.0006","8.4939","0.0007","14.6964","0.0012","105.081","0.005","90.58","0.005","95.244","0.005","876.21","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","4","Lamotrigine nicotinamide cocrystal monohydrate","","- C15 H15 Cl2 N7 O2 -","- C15 H15 Cl2 N7 O2 -","- C30 H30 Cl4 N14 O4 -","2","1","","Cheney, Miranda L.; Shan, Ning; Healey, Elisabeth R.; Hanna, Mazen; Wojtas, Lukasz; Zaworotko, Michael J.; Sava, Vasyl; Song, Shijie; Sanchez-Ramos, Juan R.","Effects of Crystal Form on Solubility and Pharmacokinetics: A Crystal Engineering Case Study of Lamotrigine","Crystal Growth & Design","2010","10","1","394","","10.1021/cg901010v","","","1.54178","CuKα","","0.0427","0.0352","","","0.092","0.0965","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502334","18.447","0.005","6.954","0.002","14.762","0.004","90","","107.978","0.004","90","","1801.2","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","5","Lamotrigine saccharinate salt","","- C16 H13 Cl2 N6 O3 S -","- C16 H12 Cl2 N6 O3 S -","- C64 H48 Cl8 N24 O12 S4 -","4","1","","Cheney, Miranda L.; Shan, Ning; Healey, Elisabeth R.; Hanna, Mazen; Wojtas, Lukasz; Zaworotko, Michael J.; Sava, Vasyl; Song, Shijie; Sanchez-Ramos, Juan R.","Effects of Crystal Form on Solubility and Pharmacokinetics: A Crystal Engineering Case Study of Lamotrigine","Crystal Growth & Design","2010","10","1","394","","10.1021/cg901010v","","","0.71073","MoKα","","0.0361","0.0338","","","0.0893","0.0913","","","","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502335","13.068","0.003","7.498","0.002","14.069","0.003","90","","96.755","0.004","90","","1369","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6","Lamotrigine adipate","","- C12 H12 Cl2 N5 O2 -","- C12 H12 Cl2 N5 O2 -","- C48 H48 Cl8 N20 O8 -","4","1","","Cheney, Miranda L.; Shan, Ning; Healey, Elisabeth R.; Hanna, Mazen; Wojtas, Lukasz; Zaworotko, Michael J.; Sava, Vasyl; Song, Shijie; Sanchez-Ramos, Juan R.","Effects of Crystal Form on Solubility and Pharmacokinetics: A Crystal Engineering Case Study of Lamotrigine","Crystal Growth & Design","2010","10","1","394","","10.1021/cg901010v","","","0.71073","MoKα","","0.0343","0.0317","","","0.0894","0.0917","","","","","","1.04","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502336","10.728","0.002","10.2003","0.0019","12.721","0.002","90","","107.634","0.013","90","","1326.6","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","7","Lamotrigine malate","","- C22 H20 Cl4 N10 O5 -","- C22 H20 Cl4 N10 O5 -","- C44 H40 Cl8 N20 O10 -","2","1","","Cheney, Miranda L.; Shan, Ning; Healey, Elisabeth R.; Hanna, Mazen; Wojtas, Lukasz; Zaworotko, Michael J.; Sava, Vasyl; Song, Shijie; Sanchez-Ramos, Juan R.","Effects of Crystal Form on Solubility and Pharmacokinetics: A Crystal Engineering Case Study of Lamotrigine","Crystal Growth & Design","2010","10","1","394","","10.1021/cg901010v","","","1.54178","CuKα","","0.0505","0.0461","","","0.1271","0.1299","","","","","","1.097","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502337","7.648","0.003","15.863","0.006","16.803","0.007","90","","90.072","0.006","90","","2038.5","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","8","Lamotrigine nicotinate dimethanol solvate","","- C17 H20 Cl2 N6 O4 -","- C17 H20 Cl2 N6 O4 -","- C68 H80 Cl8 N24 O16 -","4","1","","Cheney, Miranda L.; Shan, Ning; Healey, Elisabeth R.; Hanna, Mazen; Wojtas, Lukasz; Zaworotko, Michael J.; Sava, Vasyl; Song, Shijie; Sanchez-Ramos, Juan R.","Effects of Crystal Form on Solubility and Pharmacokinetics: A Crystal Engineering Case Study of Lamotrigine","Crystal Growth & Design","2010","10","1","394","","10.1021/cg901010v","","","0.71073","MoKα","","0.0633","0.0419","","","0.0938","0.1027","","","","","","1.021","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502338","19.326","0.004","17.584","0.003","8.2698","0.0015","90","","97.82","0.003","90","","2784.2","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","9","Lamotrigine dimethanol solvate","","- C11 H15 Cl2 N5 O2 -","- C11 H15 Cl2 N5 O2 -","- C88 H120 Cl16 N40 O16 -","8","1","","Cheney, Miranda L.; Shan, Ning; Healey, Elisabeth R.; Hanna, Mazen; Wojtas, Lukasz; Zaworotko, Michael J.; Sava, Vasyl; Song, Shijie; Sanchez-Ramos, Juan R.","Effects of Crystal Form on Solubility and Pharmacokinetics: A Crystal Engineering Case Study of Lamotrigine","Crystal Growth & Design","2010","10","1","394","","10.1021/cg901010v","","","0.71073","MoKα","","0.0401","0.0341","","","0.0889","0.0924","","","","","","1.054","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502339","7.1308","0.0014","8.3566","0.0016","24.018","0.005","90","","94.565","0.003","90","","1426.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","10","Lamotrigine ethanol monohydrate","","- C11 H15 Cl2 N5 O2 -","- C11 H15 Cl2 N5 O2 -","- C44 H60 Cl8 N20 O8 -","4","1","","Cheney, Miranda L.; Shan, Ning; Healey, Elisabeth R.; Hanna, Mazen; Wojtas, Lukasz; Zaworotko, Michael J.; Sava, Vasyl; Song, Shijie; Sanchez-Ramos, Juan R.","Effects of Crystal Form on Solubility and Pharmacokinetics: A Crystal Engineering Case Study of Lamotrigine","Crystal Growth & Design","2010","10","1","394","","10.1021/cg901010v","","","0.71073","MoKα","","0.042","0.0367","","","0.0917","0.0949","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502340","6.0838","0.0005","10.1516","0.0007","10.6888","0.0009","111.677","0.007","100.962","0.007","105.125","0.007","561.19","0.09","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 Cu3 N16 O6 -","- C12 H14 Cu3 N16 O6 -","- C12 H14 Cu3 N16 O6 -","1","0.5","","Zeng, Ming-Hua; Zhou, Yan-Ling; Zhang, Wei-Xiong; Du, Miao; Sun, Hao-Ling","Microwave-Assisted Stepwise Synthesis and Typically Metamagnetic Behavior of a Unique Two-Dimensional Net-Based Material Based on Linear Cu(II)-Azido Chains Mediated by Discrete Cu(II) Segments","Crystal Growth & Design","2010","10","1","20","","10.1021/cg9010136","","","0.71073","MoKα","","0.0459","0.036","","","0.0882","0.0906","","","","","","0.999","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502341","8.053","0.0016","10.533","0.002","13.076","0.003","66.93","0.03","80.25","0.03","68.36","0.03","948.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H15 Co N5 O5 -","- C20 H15 Co N5 O5 -","- C40 H30 Co2 N10 O10 -","2","1","","Huang, Fu-Ping; Tian, Jin-Lei; Gu, Wen; Liu, Xin; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Co(II) Coordination Polymers: Positional Isomeric Effect, Structural and Magnetic Diversification","Crystal Growth & Design","2010","10","3","1145","","10.1021/cg901014r","","","0.71073","MoKα","","0.0595","0.0442","","","0.0918","0.0975","","","","","","1.11","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502342","8.321","0.0017","10.561","0.002","12.47","0.003","108.65","0.03","100.27","0.03","108.03","0.03","939.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H15 Co N5 O5 -","- C20 H15 Co N5 O5 -","- C40 H30 Co2 N10 O10 -","2","1","","Huang, Fu-Ping; Tian, Jin-Lei; Gu, Wen; Liu, Xin; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Co(II) Coordination Polymers: Positional Isomeric Effect, Structural and Magnetic Diversification","Crystal Growth & Design","2010","10","3","1145","","10.1021/cg901014r","","","0.71073","MoKα","","0.0491","0.0369","","","0.0847","0.0892","","","","","","1.099","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502343","8.151","0.0016","10.74","0.002","12.808","0.003","105.81","0.03","95.87","0.03","111.27","0.03","979.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H14 Cl Co N5 O5 -","- C20 H14 Cl Co N5 O5 -","- C40 H28 Cl2 Co2 N10 O10 -","2","1","","Huang, Fu-Ping; Tian, Jin-Lei; Gu, Wen; Liu, Xin; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Co(II) Coordination Polymers: Positional Isomeric Effect, Structural and Magnetic Diversification","Crystal Growth & Design","2010","10","3","1145","","10.1021/cg901014r","","","0.71073","MoKα","","0.135","0.0884","","","0.213","0.244","","","","","","1.038","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502344","7.703","0.0015","19.216","0.004","12.647","0.003","90","","97.33","0.03","90","","1856.7","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 Cl Co N5 O4 -","- C20 H12 Cl Co N5 O4 -","- C80 H48 Cl4 Co4 N20 O16 -","4","1","","Huang, Fu-Ping; Tian, Jin-Lei; Gu, Wen; Liu, Xin; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Co(II) Coordination Polymers: Positional Isomeric Effect, Structural and Magnetic Diversification","Crystal Growth & Design","2010","10","3","1145","","10.1021/cg901014r","","","0.71073","MoKα","","0.1086","0.0731","","","0.1092","0.1196","","","","","","1.078","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502345","8.761","0.0018","9.999","0.002","11.646","0.002","89.8","0.03","84.81","0.03","68.48","0.03","944.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H13 Co N5 O4 -","- C20 H13 Co N5 O4 -","- C40 H26 Co2 N10 O8 -","2","1","","Huang, Fu-Ping; Tian, Jin-Lei; Gu, Wen; Liu, Xin; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Co(II) Coordination Polymers: Positional Isomeric Effect, Structural and Magnetic Diversification","Crystal Growth & Design","2010","10","3","1145","","10.1021/cg901014r","","","0.71073","MoKα","","0.0765","0.0559","","","0.0859","0.0912","","","","","","1.147","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502346","12.345","0.003","12.155","0.002","13.603","0.003","90","","95.2","0.03","90","","2032.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 Co N5 O5 -","- C20 H15 Co N5 O5 -","- C80 H60 Co4 N20 O20 -","4","1","","Huang, Fu-Ping; Tian, Jin-Lei; Gu, Wen; Liu, Xin; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Co(II) Coordination Polymers: Positional Isomeric Effect, Structural and Magnetic Diversification","Crystal Growth & Design","2010","10","3","1145","","10.1021/cg901014r","","","0.71073","MoKα","","0.0882","0.061","","","0.0893","0.0964","","","","","","1.199","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502347","11.269","0.002","11.987","0.002","12.723","0.003","112.95","0.03","90.96","0.03","102.69","0.03","1533.9","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H23 Co2 N7 O16 -","- C28 H23 Co2 N7 O16 -","- C56 H46 Co4 N14 O32 -","2","1","","Huang, Fu-Ping; Tian, Jin-Lei; Gu, Wen; Liu, Xin; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Co(II) Coordination Polymers: Positional Isomeric Effect, Structural and Magnetic Diversification","Crystal Growth & Design","2010","10","3","1145","","10.1021/cg901014r","","","0.71073","MoKα","","0.0983","0.0656","","","0.1175","0.1289","","","","","","1.13","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502348","10.018","0.002","10.386","0.002","10.667","0.002","104.04","0.03","100.69","0.03","107.1","0.03","988.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Co N6 O7 -","- C20 H14 Co N6 O7 -","- C40 H28 Co2 N12 O14 -","2","1","","Huang, Fu-Ping; Tian, Jin-Lei; Gu, Wen; Liu, Xin; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Co(II) Coordination Polymers: Positional Isomeric Effect, Structural and Magnetic Diversification","Crystal Growth & Design","2010","10","3","1145","","10.1021/cg901014r","","","0.71073","MoKα","","0.0777","0.063","","","0.157","0.1638","","","","","","1.033","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502349","8.362","0.0017","8.739","0.0017","11.44","0.002","73.68","0.03","83.72","0.03","78.61","0.03","785.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 Co N10 O8 -","- C32 H30 Co N10 O8 -","- C32 H30 Co N10 O8 -","1","0.5","","Huang, Fu-Ping; Tian, Jin-Lei; Gu, Wen; Liu, Xin; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Co(II) Coordination Polymers: Positional Isomeric Effect, Structural and Magnetic Diversification","Crystal Growth & Design","2010","10","3","1145","","10.1021/cg901014r","","","0.71073","MoKα","","0.0895","0.0651","","","0.1103","0.1181","","","","","","1.153","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502350","8.211","0.0016","9.121","0.0018","11.388","0.002","84.1","0.03","73.24","0.03","78.46","0.03","799.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 Co N10 O8 -","- C32 H30 Co N10 O8 -","- C32 H30 Co N10 O8 -","1","0.5","","Huang, Fu-Ping; Tian, Jin-Lei; Gu, Wen; Liu, Xin; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Co(II) Coordination Polymers: Positional Isomeric Effect, Structural and Magnetic Diversification","Crystal Growth & Design","2010","10","3","1145","","10.1021/cg901014r","","","0.71073","MoKα","","0.0897","0.063","","","0.1367","0.1712","","","","","","1.001","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502351","7.535","0.003","9.586","0.004","17.444","0.007","99.266","0.008","96.911","0.007","99.438","0.003","1212.7","0.9","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H20 Ca N2 O6 S6 -","- C16 H20 Ca N2 O6 S6 -","- C32 H40 Ca2 N4 O12 S12 -","2","1","","Wang, Jin-Po; Lu, Zhe-Jun; Zhu, Qin-Yu; Zhang, Ya-Ping; Qin, Yu-Rong; Bian, Guo-Qing; Dai, Jie","Calcium and Magnesium Bicarboxylates Combined with Tetrathiafulvalene Moiety","Crystal Growth & Design","2010","10","5","2090","","10.1021/cg901018s","","","0.71075","MoKα","","0.0528","0.0356","","","0.0609","0.0663","","","","","","0.957","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502352","8.5627","0.0011","9.0157","0.0012","24.381","0.003","95.231","0.011","94.51","0.013","103.147","0.016","1815.6","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H26 Ca2 O12 S12 -","- C23 H21 Ca2 O12 S12 -","- C46 H42 Ca4 O24 S24 -","2","1","","Wang, Jin-Po; Lu, Zhe-Jun; Zhu, Qin-Yu; Zhang, Ya-Ping; Qin, Yu-Rong; Bian, Guo-Qing; Dai, Jie","Calcium and Magnesium Bicarboxylates Combined with Tetrathiafulvalene Moiety","Crystal Growth & Design","2010","10","5","2090","","10.1021/cg901018s","","","0.7107","MoKα","","0.0979","0.0685","","","0.1268","0.1403","","","","","","1.133","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502353","32.429","0.0018","10.082","0.0005","16.636","0.0009","90","","93.742","0.001","90","","5427.5","0.5","193","2","193","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H58 Mg N4 Na2 O21 S12 -","- C32 H12 Mg N4 Na2 O21 S12 -","- C128 H48 Mg4 N16 Na8 O84 S48 -","4","0.5","","Wang, Jin-Po; Lu, Zhe-Jun; Zhu, Qin-Yu; Zhang, Ya-Ping; Qin, Yu-Rong; Bian, Guo-Qing; Dai, Jie","Calcium and Magnesium Bicarboxylates Combined with Tetrathiafulvalene Moiety","Crystal Growth & Design","2010","10","5","2090","","10.1021/cg901018s","","","0.7107","MoKα","","0.1383","0.1372","","","0.2643","0.2648","","","","","","1.012","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502354","13.0264","0.0016","35.454","0.004","9.2864","0.0011","90","","90","","90","","4288.8","0.9","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H40 Mg2 O20 S12 -","- C22 H9 Mg2 O20 S12 -","- C88 H36 Mg8 O80 S48 -","4","1","","Wang, Jin-Po; Lu, Zhe-Jun; Zhu, Qin-Yu; Zhang, Ya-Ping; Qin, Yu-Rong; Bian, Guo-Qing; Dai, Jie","Calcium and Magnesium Bicarboxylates Combined with Tetrathiafulvalene Moiety","Crystal Growth & Design","2010","10","5","2090","","10.1021/cg901018s","","","0.7107","MoKα","","0.0712","0.0646","","","0.1658","0.1708","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502355","16.5842","0.0003","16.5842","0.0003","18.3249","0.0008","90","","90","","120","","4364.8","0.2","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H66 Ce Mn3 N6 O36 -","- C36 H66 Ce Mn3 N6 O36 -","- C108 H198 Ce3 Mn9 N18 O108 -","3","0.166667","","Biju, A. R.; Rajasekharan, M. V.","[Mn(acac)2(HOCH3)2]3[Ce(NO3)6]—Icosahedral Anion Builds a Cubic Network","Crystal Growth & Design","2010","10","1","426","","10.1021/cg901027c","","","0.71073","MoKα","","0.0248","0.0238","","","0.058","0.0585","","","","","","1.118","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502356","10.0509","0.0004","10.0509","0.0004","12.312","0.0011","90","","90","","90","","1243.77","0.13","293","2","293","2","","","","","","","","5","P -4","P -4","81","","","","- C22 H28 Cu3 N5 S2 -","- C22 H28 Cu3 N5 S2 -","- C44 H56 Cu6 N10 S4 -","2","0.5","","Chen, Shan-Ci; Yu, Rong-Min; Zhao, Zhen-Guo; Chen, Shu-Mei; Zhang, Qi-Sheng; Wu, Xiao-Yuan; Wang, Fei; Lu, Can-Zhong","A Series of Polynuclear Complexes of d10Metals With Interesting Luminescent Properties","Crystal Growth & Design","2010","10","3","1155","","10.1021/cg901031x","","","0.71073","MoKα","","0.0589","0.0398","","","0.1003","0.1316","","","","","","1.136","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502357","18.7167","0.0004","18.7167","0.0004","18.7167","0.0004","90","","90","","90","","6556.7","0.2","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C56 H66 Cl2 Cu6 N14 S6 -","- C56 H66 Cl2 Cu6 N14 S6 -","- C224 H264 Cl8 Cu24 N56 S24 -","4","0.166667","","Chen, Shan-Ci; Yu, Rong-Min; Zhao, Zhen-Guo; Chen, Shu-Mei; Zhang, Qi-Sheng; Wu, Xiao-Yuan; Wang, Fei; Lu, Can-Zhong","A Series of Polynuclear Complexes of d10Metals With Interesting Luminescent Properties","Crystal Growth & Design","2010","10","3","1155","","10.1021/cg901031x","","","0.71073","MoKα","","0.0898","0.0797","","","0.2381","0.2489","","","","","","1.197","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502358","7.65","0.003","13.554","0.006","13.762","0.006","114.459","0.002","99.008","0.005","101.922","0.002","1223","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H24 Ag6 N6 S12 -","- C42 H24 Ag6 N6 S12 -","- C42 H24 Ag6 N6 S12 -","1","0.5","","Chen, Shan-Ci; Yu, Rong-Min; Zhao, Zhen-Guo; Chen, Shu-Mei; Zhang, Qi-Sheng; Wu, Xiao-Yuan; Wang, Fei; Lu, Can-Zhong","A Series of Polynuclear Complexes of d10Metals With Interesting Luminescent Properties","Crystal Growth & Design","2010","10","3","1155","","10.1021/cg901031x","","","0.71073","MoKα","","0.0911","0.0494","","","0.0848","0.1022","","","","","","1.014","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502359","22.3402","0.0017","10.4269","0.0004","25.0451","0.0017","90","","118.069","0.005","90","","5147.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H30 N12 O4 S6 Zn4 -","- C45 H30 N12 O4 S6 Zn4 -","- C180 H120 N48 O16 S24 Zn16 -","4","1","","Chen, Shan-Ci; Yu, Rong-Min; Zhao, Zhen-Guo; Chen, Shu-Mei; Zhang, Qi-Sheng; Wu, Xiao-Yuan; Wang, Fei; Lu, Can-Zhong","A Series of Polynuclear Complexes of d10Metals With Interesting Luminescent Properties","Crystal Growth & Design","2010","10","3","1155","","10.1021/cg901031x","","","0.71073","MoKα","","0.0727","0.0573","","","0.155","0.1724","","","","","","1.162","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502360","7.2962","0.0015","12.692","0.003","7.9192","0.0016","90","","110.42","0.03","90","","687.3","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C5 H26 N4 O6 -","- C5 H26 N4 O6 -","- C10 H52 N8 O12 -","2","1","","Zhang, Tong; Chen, Li-Zhuang; Gou, Min; Li, Yong-Hua; Fu, Da-Wei; Xiong, Ren-Gen","Ferroelectric Homochiral Organic Molecular Crystals","Crystal Growth & Design","2010","10","3","1025","","10.1021/cg901032c","","","0.71073","MoKα","","0.0627","0.0489","","","0.1236","0.1316","","","","","","1.072","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502361","8.476","0.002","7.515","0.002","11.474","0.003","90","","101.9","0.03","90","","715.2","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H14 Cl4 I2 N2 -","- C5 H14 Cl4 I2 N2 -","- C10 H28 Cl8 I4 N4 -","2","1","","Zhang, Tong; Chen, Li-Zhuang; Gou, Min; Li, Yong-Hua; Fu, Da-Wei; Xiong, Ren-Gen","Ferroelectric Homochiral Organic Molecular Crystals","Crystal Growth & Design","2010","10","3","1025","","10.1021/cg901032c","","","0.71073","MoKα","","0.0236","0.0229","","","0.0482","0.0485","","","","","","1.058","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4502362","13.737","0.0002","7.931","0.0004","24.022","0.0007","90","","105.959","0.001","90","","2516.28","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 Cd2 N2 O12 -","- C25 H21 Cd2 N2 O12 -","- C100 H84 Cd8 N8 O48 -","4","1","","Li, Shun-Li; Lan, Ya-Qian; Ma, Ji-Cheng; Ma, Jian-Fang; Su, Zhong-Min","Metal−Organic Frameworks Based on Different Benzimidazole Derivatives: Effect of Length and Substituent Groups of the Ligands on the Structures","Crystal Growth & Design","2010","10","3","1161","","10.1021/cg9010482","","","0.71069","MoKα","","0.0475","0.0322","","","0.0677","0.074","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502363","14.2375","0.0018","27.81","0.003","7.6786","0.0009","90","","100.399","0.002","90","","2990.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H23 Cd2 N5 O10 -","- C32 H23 Cd2 N5 O10 -","- C128 H92 Cd8 N20 O40 -","4","1","","Li, Shun-Li; Lan, Ya-Qian; Ma, Ji-Cheng; Ma, Jian-Fang; Su, Zhong-Min","Metal−Organic Frameworks Based on Different Benzimidazole Derivatives: Effect of Length and Substituent Groups of the Ligands on the Structures","Crystal Growth & Design","2010","10","3","1161","","10.1021/cg9010482","","","0.71073","MoKα","","0.0977","0.0574","","","0.1311","0.1497","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502364","11.218","0.002","15.927","0.003","12.965","0.003","90","","111.176","0.003","90","","2160","0.8","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C47 H40 N6 O12 Zn2 -","- C47 H40 N6 O12 Zn2 -","- C94 H80 N12 O24 Zn4 -","2","0.5","","Li, Shun-Li; Lan, Ya-Qian; Ma, Ji-Cheng; Ma, Jian-Fang; Su, Zhong-Min","Metal−Organic Frameworks Based on Different Benzimidazole Derivatives: Effect of Length and Substituent Groups of the Ligands on the Structures","Crystal Growth & Design","2010","10","3","1161","","10.1021/cg9010482","","","0.71069","MoKα","","0.0748","0.0627","","","0.1591","0.1688","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502365","8.097","0.0006","20.411","0.0015","19.533","0.0016","90","","99.436","0.002","90","","3184.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H29 Cd N7 O4 -","- C36 H29 Cd N7 O4 -","- C144 H116 Cd4 N28 O16 -","4","1","","Li, Shun-Li; Lan, Ya-Qian; Ma, Ji-Cheng; Ma, Jian-Fang; Su, Zhong-Min","Metal−Organic Frameworks Based on Different Benzimidazole Derivatives: Effect of Length and Substituent Groups of the Ligands on the Structures","Crystal Growth & Design","2010","10","3","1161","","10.1021/cg9010482","","","0.71069","MoKα","","0.0963","0.046","","","0.0866","0.1028","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502366","16.8292","0.0008","14.5542","0.0008","16.0123","0.0009","90","","114.432","0.001","90","","3570.8","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H28 Cd N4 O4 -","- C34 H28 Cd N4 O4 -","- C136 H112 Cd4 N16 O16 -","4","0.5","","Li, Shun-Li; Lan, Ya-Qian; Ma, Ji-Cheng; Ma, Jian-Fang; Su, Zhong-Min","Metal−Organic Frameworks Based on Different Benzimidazole Derivatives: Effect of Length and Substituent Groups of the Ligands on the Structures","Crystal Growth & Design","2010","10","3","1161","","10.1021/cg9010482","","","0.71073","MoKα","","0.0798","0.0508","","","0.128","0.1471","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502367","12.248","0.002","10.34","0.002","16.856","0.004","90","","95.295","0.005","90","","2125.6","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 Cd N5 O5 -","- C20 H14 Cd N5 O5 -","- C80 H56 Cd4 N20 O20 -","4","0.5","","Li, Shun-Li; Lan, Ya-Qian; Ma, Ji-Cheng; Ma, Jian-Fang; Su, Zhong-Min","Metal−Organic Frameworks Based on Different Benzimidazole Derivatives: Effect of Length and Substituent Groups of the Ligands on the Structures","Crystal Growth & Design","2010","10","3","1161","","10.1021/cg9010482","","","0.71069","MoKα","","0.1084","0.069","","","0.1644","0.1897","","","","","","0.954","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502368","11.105","0.0013","10.179","0.003","17.959","0.003","90","","92.532","0.003","90","","2028.1","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 N5 O5 Zn -","- C20 H14 N5 O5 Zn -","- C80 H56 N20 O20 Zn4 -","4","0.5","","Li, Shun-Li; Lan, Ya-Qian; Ma, Ji-Cheng; Ma, Jian-Fang; Su, Zhong-Min","Metal−Organic Frameworks Based on Different Benzimidazole Derivatives: Effect of Length and Substituent Groups of the Ligands on the Structures","Crystal Growth & Design","2010","10","3","1161","","10.1021/cg9010482","","","0.71069","MoKα","","0.1222","0.0576","","","0.1334","0.1611","","","","","","0.944","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502369","7.0474","0.0003","7.8332","0.0003","19.2197","0.0007","90","","90","","90","","1061","0.07","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","‘Zinc-Borate’","","","- C3 H12 B4 N2 O8 Zn -","- C3 H12 B4 N2 O8 Zn -","- C12 H48 B16 N8 O32 Zn4 -","4","1","","Paul, Avijit Kumar; Sachidananda, K.; Natarajan, Srinivasan","[B4O9H2] Cyclic Borate Units as the Building Unit in a Family of Zinc Borate Structures","Crystal Growth & Design","2010","10","1","456","","10.1021/cg901054h","","","0.71073","MoKα","","0.04","0.0369","","","0.097","0.0987","","","","","","1.047","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502370","10.678","0.0003","7.9509","0.0002","13.6214","0.0003","90","","108.165","0.001","90","","1098.82","0.05","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","‘Zinc-Borate’","","","- C3 H14 B4 N2 O9 Zn -","- C3 H14 B4 N2 O9 Zn -","- C12 H56 B16 N8 O36 Zn4 -","4","1","","Paul, Avijit Kumar; Sachidananda, K.; Natarajan, Srinivasan","[B4O9H2] Cyclic Borate Units as the Building Unit in a Family of Zinc Borate Structures","Crystal Growth & Design","2010","10","1","456","","10.1021/cg901054h","","","0.71073","MoKα","","0.0515","0.0307","","","0.0745","0.0837","","","","","","1.002","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502371","10.2795","0.0003","7.6167","0.0002","13.5752","0.0004","90","","98.996","0.001","90","","1049.81","0.05","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","‘Zinc-Borate’","","","- C10 H29 B5 N4 O11 Zn -","- C10 H27 B5 N4 O11 Zn -","- C20 H54 B10 N8 O22 Zn2 -","2","1","","Paul, Avijit Kumar; Sachidananda, K.; Natarajan, Srinivasan","[B4O9H2] Cyclic Borate Units as the Building Unit in a Family of Zinc Borate Structures","Crystal Growth & Design","2010","10","1","456","","10.1021/cg901054h","","","0.71073","MoKα","","0.0488","0.0408","","","0.0921","0.0965","","","","","","0.994","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502372","10.784","0.003","8.1861","0.0016","11.405","0.002","90","","90.63","0.02","90","","1006.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","‘Zinc-Borate’","","","- C6 H22 B8 N4 O15 Zn2 -","- C6 H22 B8 N4 O15 Zn2 -","- C12 H44 B16 N8 O30 Zn4 -","2","0.5","","Paul, Avijit Kumar; Sachidananda, K.; Natarajan, Srinivasan","[B4O9H2] Cyclic Borate Units as the Building Unit in a Family of Zinc Borate Structures","Crystal Growth & Design","2010","10","1","456","","10.1021/cg901054h","","","0.71073","MoKα","","0.1225","0.0785","","","0.2055","0.2315","","","","","","0.934","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502373","11.924","0.002","11.924","0.002","14.885","0.006","90","","90","","90","","2116.4","1","293","2","293","2","","","","","","","","6","P 4 n c","P 4 -2n","104","","","","- C44 H42 Cd2 Cl2 N16 O -","- C44 H42 Cd2 Cl2 N16 O -","- C88 H84 Cd4 Cl4 N32 O2 -","2","0.25","","Wang, Yong-Tao; Tang, Gui-Mei; Wei, Yong-Qin; Qin, Ting-Xiao; Li, Tian-Duo; He, Chao; Ling, Ji-Bei; Long, Xi-Fa; Weng Ng, Seik","Two New Nonlinear Optical and Ferroelectric Three-Dimensional Metal−Organic Frameworks with an sqp-net","Crystal Growth & Design","2010","10","1","25","","10.1021/cg901066v","","","0.71073","MoKα","","0.0206","0.0186","","","0.0462","0.0475","","","","","","1.068","","","","has coordinates,has disorder","179554","2020-10-21","18:00:00",""
"4502374","11.9525","0.0006","11.952","","15.0052","0.0007","90","","90","","90","","2143.59","0.15","293","2","293","2","","","","","","","","6","P 4 n c","P 4 -2n","104","","","","- C44 H42 Br2 Cd2 N16 O -","- C44 H42 Br2 Cd2 N16 O -","- C88 H84 Br4 Cd4 N32 O2 -","2","0.25","","Wang, Yong-Tao; Tang, Gui-Mei; Wei, Yong-Qin; Qin, Ting-Xiao; Li, Tian-Duo; He, Chao; Ling, Ji-Bei; Long, Xi-Fa; Weng Ng, Seik","Two New Nonlinear Optical and Ferroelectric Three-Dimensional Metal−Organic Frameworks with an sqp-net","Crystal Growth & Design","2010","10","1","25","","10.1021/cg901066v","","","0.71073","MoKα","","0.0337","0.0279","","","0.0748","0.077","","","","","","1.066","","","","has coordinates,has disorder","179554","2020-10-21","18:00:00",""
"4502375","9.0154","0.0018","25.441","0.005","11.39","0.002","90","","104.41","0.03","90","","2530.2","0.9","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C7 H12 Cl0.5 La0.5 N2 O8.5 -","- C7 H12 Cl0.5 La0.5 N2 O8.5 -","- C56 H96 Cl4 La4 N16 O68 -","8","1","","Chai, Xiao-Chuan; Sun, Yan-Qiong; Lei, Ran; Chen, Yi-Ping; Zhang, Shuai; Cao, Yan-Ning; Zhang, Han-Hui","A Series of Lanthanide Frameworks with a Flexible Ligand,N,N′-Diacetic Acid Imidazolium, in Different Coordination Modes","Crystal Growth & Design","2010","10","2","658","","10.1021/cg901075r","","","0.71073","MoKα","","0.03","0.0298","","","0.0844","0.0846","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502376","11.507","0.005","20.988","0.006","8.821","0.003","90","","102.307","0.015","90","","2081.4","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10.5 H23 La N3 O13 -","- C10.5 H18.5 La N3 O13 -","- C42 H74 La4 N12 O52 -","4","1","","Chai, Xiao-Chuan; Sun, Yan-Qiong; Lei, Ran; Chen, Yi-Ping; Zhang, Shuai; Cao, Yan-Ning; Zhang, Han-Hui","A Series of Lanthanide Frameworks with a Flexible Ligand,N,N′-Diacetic Acid Imidazolium, in Different Coordination Modes","Crystal Growth & Design","2010","10","2","658","","10.1021/cg901075r","","","0.71073","MoKα","","0.043","0.038","","","0.1014","0.1038","","","","","","1.093","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502377","18.755","0.004","16.299","0.003","8.9294","0.0018","90","","112.59","0.03","90","","2520.2","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C7 H13 Cl0.5 La0.5 N2 O7 -","- C7 H11 Cl0.5 La0.5 N2 O7 -","- C56 H88 Cl4 La4 N16 O56 -","8","1","","Chai, Xiao-Chuan; Sun, Yan-Qiong; Lei, Ran; Chen, Yi-Ping; Zhang, Shuai; Cao, Yan-Ning; Zhang, Han-Hui","A Series of Lanthanide Frameworks with a Flexible Ligand,N,N′-Diacetic Acid Imidazolium, in Different Coordination Modes","Crystal Growth & Design","2010","10","2","658","","10.1021/cg901075r","","","0.71073","MoKα","","0.0341","0.0321","","","0.0956","0.1137","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502378","8.6119","0.0017","11.054","0.002","13.583","0.003","81.13","0.03","74.31","0.03","78.17","0.03","1211.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H24 Cl N4 Nd O17 -","- C14 H20 Cl N4 Nd O17 -","- C28 H40 Cl2 N8 Nd2 O34 -","2","1","","Chai, Xiao-Chuan; Sun, Yan-Qiong; Lei, Ran; Chen, Yi-Ping; Zhang, Shuai; Cao, Yan-Ning; Zhang, Han-Hui","A Series of Lanthanide Frameworks with a Flexible Ligand,N,N′-Diacetic Acid Imidazolium, in Different Coordination Modes","Crystal Growth & Design","2010","10","2","658","","10.1021/cg901075r","","","0.71073","MoKα","","0.0257","0.0253","","","0.0679","0.0728","","","","","","1.032","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502379","8.569","0.0017","10.862","0.002","13.422","0.003","81.02","0.03","74.79","0.03","79.69","0.03","1178.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H24 N5 Nd O16 -","- C14 H20 N5 Nd O16 -","- C28 H40 N10 Nd2 O32 -","2","1","","Chai, Xiao-Chuan; Sun, Yan-Qiong; Lei, Ran; Chen, Yi-Ping; Zhang, Shuai; Cao, Yan-Ning; Zhang, Han-Hui","A Series of Lanthanide Frameworks with a Flexible Ligand,N,N′-Diacetic Acid Imidazolium, in Different Coordination Modes","Crystal Growth & Design","2010","10","2","658","","10.1021/cg901075r","","","0.71073","MoKα","","0.0576","0.0573","","","0.1492","0.1494","","","","","","1.075","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502380","8.5454","0.0017","26.275","0.005","11.13","0.002","90","","103.57","0.03","90","","2429.3","0.9","173","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H28 Cl N4 Nd O15 -","- C14 H28 Cl N4 Nd O15 -","- C56 H112 Cl4 N16 Nd4 O60 -","4","1","","Chai, Xiao-Chuan; Sun, Yan-Qiong; Lei, Ran; Chen, Yi-Ping; Zhang, Shuai; Cao, Yan-Ning; Zhang, Han-Hui","A Series of Lanthanide Frameworks with a Flexible Ligand,N,N′-Diacetic Acid Imidazolium, in Different Coordination Modes","Crystal Growth & Design","2010","10","2","658","","10.1021/cg901075r","","","0.71073","MoKα","","0.0421","0.0395","","","0.1078","0.1132","","","","","","1.042","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502381","8.852","0.005","12.22","0.006","12.502","0.006","90","0.05","105.12","0.09","100.38","0.1","1282.6","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H28 Cl N4 Nd O15 -","- C14 H22 Cl N4 Nd O15 -","- C28 H44 Cl2 N8 Nd2 O30 -","2","1","","Chai, Xiao-Chuan; Sun, Yan-Qiong; Lei, Ran; Chen, Yi-Ping; Zhang, Shuai; Cao, Yan-Ning; Zhang, Han-Hui","A Series of Lanthanide Frameworks with a Flexible Ligand,N,N′-Diacetic Acid Imidazolium, in Different Coordination Modes","Crystal Growth & Design","2010","10","2","658","","10.1021/cg901075r","","","0.71073","MoKα","","0.0591","0.0552","","","0.1466","0.1525","","","","","","1.014","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502382","15.916","0.013","7.61","0.003","14.093","0.006","90","","90","","90","","1707","1.7","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C6 H24 Mo N6 Ni S4 -","- C6 H24 Mo N6 Ni S4 -","- C24 H96 Mo4 N24 Ni4 S16 -","4","1","","Tian, Hengfeng; Iliff, Hadley A.; Moore, Lee J.; Oertel, Catherine M.","Structure and Polymorphism in M(ethylenediamine)3MoS4(M = Mn, Co, Ni)","Crystal Growth & Design","2010","10","2","669","","10.1021/cg901087x","","","0.71073","MoKα","","0.0463","0.0344","","","0.0613","0.0662","","","","","","1.048","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4502383","14.02","0.005","14.821","0.007","16.23","0.006","90","","90","","90","","3372","2","100","2","100","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C6 H24 Mo N6 Ni S4 -","- C6 H24 Mo N6 Ni S4 -","- C48 H192 Mo8 N48 Ni8 S32 -","8","1","","Tian, Hengfeng; Iliff, Hadley A.; Moore, Lee J.; Oertel, Catherine M.","Structure and Polymorphism in M(ethylenediamine)3MoS4(M = Mn, Co, Ni)","Crystal Growth & Design","2010","10","2","669","","10.1021/cg901087x","","","0.71073","MoKα","","0.0718","0.0411","","","0.0918","0.1076","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502384","14.054","0.004","14.856","0.004","16.218","0.004","90","","90","","90","","3386.1","1.6","100","2","100","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C6 H24 Co Mo N6 S4 -","- C6 H24 Co Mo N6 S4 -","- C48 H192 Co8 Mo8 N48 S32 -","8","1","","Tian, Hengfeng; Iliff, Hadley A.; Moore, Lee J.; Oertel, Catherine M.","Structure and Polymorphism in M(ethylenediamine)3MoS4(M = Mn, Co, Ni)","Crystal Growth & Design","2010","10","2","669","","10.1021/cg901087x","","","0.71073","MoKα","","0.0406","0.0297","","","0.0729","0.0799","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502385","14.305","0.008","14.786","0.008","16.348","0.006","90","","90","","90","","3458","3","100","2","100","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C6 H24 Mn Mo N6 S4 -","- C6 H24 Mn Mo N6 S4 -","- C48 H192 Mn8 Mo8 N48 S32 -","8","1","","Tian, Hengfeng; Iliff, Hadley A.; Moore, Lee J.; Oertel, Catherine M.","Structure and Polymorphism in M(ethylenediamine)3MoS4(M = Mn, Co, Ni)","Crystal Growth & Design","2010","10","2","669","","10.1021/cg901087x","","","0.71073","MoKα","","0.0402","0.0308","","","0.0794","0.0861","","","","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502386","22.3","0.03","7.399","0.01","11.91","0.02","90","","108.738","0.006","90","","1861","5","103.1","","","","","","","","","","","8","C 1 2 1","C 2y","5","(R)-1-(p-fluorophenyl)ethylammonium_(Rp)-O-ethyl(p-chlorophenyl)phosphonothioate","","","- C16 H20 Cl F N O2 P S -","- C16 H20 Cl F N O2 P S -","- C64 H80 Cl4 F4 N4 O8 P4 S4 -","4","1","","Kobayashi, Yuka; Maeda, Jin; Ando, Tetsuo; Saigo, Kazuhiko","Halogen-Bonding Interaction Stabilizing Cluster-type Diastereomeric Salt Crystals","Crystal Growth & Design","2010","10","2","685","","10.1021/cg9010967","","","0.7107","MoKα","","","0.065","","","","0.08","","","","","","1.309","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502387","22.328","0.002","7.435","0.0005","13.167","0.002","90","","112.634","0.003","90","","2017.5","0.4","296.1","","","","","","","","","","","7","C 1 2 1","C 2y","5","(R)-1-(p-chlorophenyl)ethylammonium_(Rp)-O-ethyl(p-chlrophenyl)phosphonothioate","","","- C16 H20 Cl2 N O2 P S -","- C16 H20 Cl2 N O2 P S -","- C64 H80 Cl8 N4 O8 P4 S4 -","4","1","","Kobayashi, Yuka; Maeda, Jin; Ando, Tetsuo; Saigo, Kazuhiko","Halogen-Bonding Interaction Stabilizing Cluster-type Diastereomeric Salt Crystals","Crystal Growth & Design","2010","10","2","685","","10.1021/cg9010967","","","0.7107","MoKα","","","0.05","","","","0.057","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502388","26.89","0.02","7.463","0.004","21.551","0.012","90","","115.103","0.002","90","","3916","4","103.1","","","","","","","","","","","8","C 1 2 1","C 2y","5","(R)-1-(p-bromophenyl)ethylammonium_(Rp)-O-ethyl(p-chlorophenyl)phosphonothioate","","","- C16 H20 Br Cl N O2 P S -","- C16 H20 Br Cl N O2 P S -","- C128 H160 Br8 Cl8 N8 O16 P8 S8 -","8","2","","Kobayashi, Yuka; Maeda, Jin; Ando, Tetsuo; Saigo, Kazuhiko","Halogen-Bonding Interaction Stabilizing Cluster-type Diastereomeric Salt Crystals","Crystal Growth & Design","2010","10","2","685","","10.1021/cg9010967","","","0.7107","MoKα","","","0.038","","","","0.052","","","","","","0.892","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502389","7.633","0.003","11.733","0.005","21.156","0.009","90","","90","","90","","1894.7","1.4","103","2","103","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","(R)-1-(p-iodophenyl)ethylammonium_(Rp)-O-ethyl(p-chlorophenyl)phosphonothioate","","","- C16 H20 Cl I N O2 P S -","- C16 H20 Cl I N O2 P S -","- C64 H80 Cl4 I4 N4 O8 P4 S4 -","4","1","","Kobayashi, Yuka; Maeda, Jin; Ando, Tetsuo; Saigo, Kazuhiko","Halogen-Bonding Interaction Stabilizing Cluster-type Diastereomeric Salt Crystals","Crystal Growth & Design","2010","10","2","685","","10.1021/cg9010967","","","0.7107","MoKα","","0.0301","0.0296","","","0.0756","0.0762","","","","","","1.118","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502390","13.209","0.005","21.994","0.008","13.6","0.005","90","","106.645","0.002","90","","3785","2","103.1","","","","","","","","","","","8","P 1 21 1","P 2yb","4","(S)-1-(p-fluorophenyl)ethylammonium_(Rp)-O-ethyl(p-chlorophenyl)phosphonothioate","","","- C16 H20 Cl F N O2 P S -","- C16 H20 Cl F N O2 P S -","- C128 H160 Cl8 F8 N8 O16 P8 S8 -","8","4","","Kobayashi, Yuka; Maeda, Jin; Ando, Tetsuo; Saigo, Kazuhiko","Halogen-Bonding Interaction Stabilizing Cluster-type Diastereomeric Salt Crystals","Crystal Growth & Design","2010","10","2","685","","10.1021/cg9010967","","","0.7107","MoKα","","","0.049","","","","0.061","","","","","","0.857","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502391","13.45","0.0004","13.45","0.0004","45.141","0.0013","90","","90","","90","","8166.1","0.4","296","2","296","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","(S)-1-(p-chlorophenyl)ethylammonium_(Rp)-O-ethyl(p-chlrophenyl)phosphonothioate","","","- C16 H20 Cl2 N O2 P S -","- C16 H19.5 Cl2 N O2 P S -","- C256 H312 Cl32 N16 O32 P16 S16 -","16","2","","Kobayashi, Yuka; Maeda, Jin; Ando, Tetsuo; Saigo, Kazuhiko","Halogen-Bonding Interaction Stabilizing Cluster-type Diastereomeric Salt Crystals","Crystal Growth & Design","2010","10","2","685","","10.1021/cg9010967","","","0.7107","MoKα","","0.0487","0.0428","","","0.1242","0.1347","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502392","13.489","0.0005","13.489","0.0005","45.241","0.0017","90","","90","","90","","8231.7","0.5","103","2","103","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","(S)-1-(p-bromophenyl)ethylammonium_(Rp)-O-ethyl(p-chlorophenyl)phosphonothioate","","","- C16 H20 Br Cl N O2 P S -","- C16 H20 Br Cl N O2 P S -","- C256 H320 Br16 Cl16 N16 O32 P16 S16 -","16","2","","Kobayashi, Yuka; Maeda, Jin; Ando, Tetsuo; Saigo, Kazuhiko","Halogen-Bonding Interaction Stabilizing Cluster-type Diastereomeric Salt Crystals","Crystal Growth & Design","2010","10","2","685","","10.1021/cg9010967","","","0.7107","MoKα","","0.0819","0.0607","","","0.1629","0.1821","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502393","12.788","0.003","13.069","0.003","25.533","0.006","80.684","0.009","75.203","0.008","80.957","0.009","4041.2","1.6","103.1","","","","","","","","","","","8","P 1","P 1","1","(S)-1-(p-iodophenyl)ethylammonium_(Rp)-O-ethyl(p-chlorophenyl)phosphonothioate","","","- C16 H20 Cl I N O2 P S -","- C16.125 H20.25 Cl I N O1.875 P S -","- C129 H162 Cl8 I8 N8 O15 P8 S8 -","8","8","","Kobayashi, Yuka; Maeda, Jin; Ando, Tetsuo; Saigo, Kazuhiko","Halogen-Bonding Interaction Stabilizing Cluster-type Diastereomeric Salt Crystals","Crystal Growth & Design","2010","10","2","685","","10.1021/cg9010967","","","0.7107","MoKα","","","0.0538","","","","0.0841","","","","","","1.309","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502394","14.2219","0.0002","25.6079","0.00029","15.1754","0.0002","90","","117.465","0.0005","90","","4903.86","0.11","150","0.2","150","0.2","","","","","","","","6","P 1 21 1","P 2yb","4","lamivudine double strand","","","- C75 H114 Cl2 N24 O37 S8 -","- C75 H114 Cl2 N24 O37 S8 -","- C150 H228 Cl4 N48 O74 S16 -","2","1","","Martins, Felipe T.; Doriguetto, Antônio C.; Ellena, Javier","From Rational Design of Drug Crystals to Understanding of Nucleic Acid Structures: Lamivudine Duplex","Crystal Growth & Design","2010","10","2","676","","10.1021/cg901103r","","","0.71073","MoKα","","0.0789","0.0588","","","0.1517","0.172","","","","","","1.101","","","","has coordinates,has disorder","179554","2020-10-21","18:00:00",""
"4502395","8.94","0.002","14.02","0.01","12.48","0.01","90","","91.73","0.04","90","","1563.5","1.7","173","2","173","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C16 H12 O25 Zn2 -","- C16 H12 O25 Zn2 -","- C32 H24 O50 Zn4 -","2","0.5","","Zeng, Huifang; Li, Taohai; Yan, Zhaowei; Luo, Sujuan; Li, Feng","Two Porous Metal−Organic Frameworks Showing Different Behaviors to Sodium Cation","Crystal Growth & Design","2010","10","2","475","","10.1021/cg901114e","","","0.71073","MoKα","","0.0769","0.0675","","","0.1974","0.2089","","","","","","1.188","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502396","22.15","0.019","9.893","0.008","16.447","0.014","90","","114.538","0.015","90","","3279","5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H36 Ce2 Na O30 -","- C16 H36 Ce2 Na O30 -","- C64 H144 Ce8 Na4 O120 -","4","0.5","","Zeng, Huifang; Li, Taohai; Yan, Zhaowei; Luo, Sujuan; Li, Feng","Two Porous Metal−Organic Frameworks Showing Different Behaviors to Sodium Cation","Crystal Growth & Design","2010","10","2","475","","10.1021/cg901114e","","","0.71073","MoKα","","0.0899","0.07","","","0.1877","0.2162","","","","","","1.262","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502397","7.174","0.005","7.39","0.005","14.81","0.005","87.838","0.005","77.665","0.005","73.057","0.005","733.5","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","4-amino3methoxybenzoic acid:4-hydroxy3nitrobenzoic acid","","- C15 H14 N2 O8 -","- C15 H14 N2 O8 -","- C30 H28 N4 O16 -","2","1","","Seaton, Colin C.; Chadwick, Keith; Sadiq, Ghazala; Guo, Kun; Davey, Roger J.","Designing Acid/Acid Co-Crystals through the Application of Hammett Substituent Constants","Crystal Growth & Design","2010","10","2","726","","10.1021/cg9011235","","","0.71073","MoKα","","0.1073","0.0446","","","0.1543","0.1654","","","","","","0.952","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502398","7.1029","0.0008","9.1205","0.001","18.4444","0.0019","80.379","0.009","81.896","0.009","88.629","0.009","1166.3","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","4-amino3-methoxybenzoic acid, 4-amino3methoxybenzoate, 3-nitrophthalic acid complex","","- C24 H23 N3 O12 -","- C24 H23 N3 O12 -","- C48 H46 N6 O24 -","2","1","","Seaton, Colin C.; Chadwick, Keith; Sadiq, Ghazala; Guo, Kun; Davey, Roger J.","Designing Acid/Acid Co-Crystals through the Application of Hammett Substituent Constants","Crystal Growth & Design","2010","10","2","726","","10.1021/cg9011235","","","0.71073","MoKα","","0.0931","0.0532","","","0.121","0.1306","","","","","","0.935","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502399","6.9476","0.0006","10.5032","0.0007","10.4856","0.0008","90","","104.845","0.008","90","","739.62","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-amino3-nitrobenzoic acid","","- C7 H6 N2 O4 -","- C7 H6 N2 O4 -","- C28 H24 N8 O16 -","4","1","","Seaton, Colin C.; Chadwick, Keith; Sadiq, Ghazala; Guo, Kun; Davey, Roger J.","Designing Acid/Acid Co-Crystals through the Application of Hammett Substituent Constants","Crystal Growth & Design","2010","10","2","726","","10.1021/cg9011235","","","0.71073","MoKα","","0.0517","0.0384","","","0.1031","0.1072","","","","","","0.992","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502400","9.0165","0.0007","16.5146","0.0012","9.4128","0.0007","90","","102.349","0.007","90","","1369.17","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-aminobenzoic acid/4-hydroxy 3-nitrobenzoic acid co-crystal","","- C14 H12 N2 O7 -","- C14 H12 N2 O7 -","- C56 H48 N8 O28 -","4","1","","Seaton, Colin C.; Chadwick, Keith; Sadiq, Ghazala; Guo, Kun; Davey, Roger J.","Designing Acid/Acid Co-Crystals through the Application of Hammett Substituent Constants","Crystal Growth & Design","2010","10","2","726","","10.1021/cg9011235","","","0.71073","MoKα","","0.0622","0.0343","","","0.0698","0.0743","","","","","","0.817","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502401","7.0409","0.0005","14.9622","0.0011","13.832","0.001","90","","101.669","0.007","90","","1427.05","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,5-diaminobenzoic acid 3,5-dinitrobenozate","","- C14 H12 N4 O8 -","- C14 H12 N4 O8 -","- C56 H48 N16 O32 -","4","1","","Seaton, Colin C.; Chadwick, Keith; Sadiq, Ghazala; Guo, Kun; Davey, Roger J.","Designing Acid/Acid Co-Crystals through the Application of Hammett Substituent Constants","Crystal Growth & Design","2010","10","2","726","","10.1021/cg9011235","","","0.71073","MoKα","","0.064","0.0353","","","0.0811","0.0883","","","","","","0.753","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502402","11.51","0.002","15.33","0.003","10.93","0.002","90","","99.98","0.03","90","","1899.4","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14.41 Li3 N3 O8.21 -","- C16 H14.41 Li3 N3 O8.205 -","- C64 H57.64 Li12 N12 O32.82 -","4","1","","Banerjee, Debasis; Kim, Sun Jin; Borkowski, Lauren A.; Xu, Wenqian; Parise, John B.","Solvothermal Synthesis and Structural Characterization of Ultralight Metal Coordination Networks","Crystal Growth & Design","2010","10","2","709","","10.1021/cg9011247","","","0.71073","MoKα","","0.1222","0.0436","","","0.0949","0.117","","","","","","0.973","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502403","10.19","0.002","13.39","0.003","10.45","0.002","90","","106.02","0.03","90","","1370.5","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 Li3 N2 O6 -","- C13 H7 Li3 N2 O6 -","- C52 H28 Li12 N8 O24 -","4","1","","Banerjee, Debasis; Kim, Sun Jin; Borkowski, Lauren A.; Xu, Wenqian; Parise, John B.","Solvothermal Synthesis and Structural Characterization of Ultralight Metal Coordination Networks","Crystal Growth & Design","2010","10","2","709","","10.1021/cg9011247","","","0.71073","MoKα","","0.0641","0.0391","","","0.0905","0.1014","","","","","","1.055","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502404","12.692","0.003","10.977","0.002","11.2","0.002","90","","105.83","0.03","90","","1501.2","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H3 Li2 N O4 -","- C7 H3 Li2 N O4 -","- C56 H24 Li16 N8 O32 -","8","1","","Banerjee, Debasis; Kim, Sun Jin; Borkowski, Lauren A.; Xu, Wenqian; Parise, John B.","Solvothermal Synthesis and Structural Characterization of Ultralight Metal Coordination Networks","Crystal Growth & Design","2010","10","2","709","","10.1021/cg9011247","","","0.71073","MoKα","","0.1406","0.0546","","","0.1152","0.1455","","","","","","0.992","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502405","9.4502","0.0009","9.4502","0.0009","6.3642","0.0011","90","","90","","120","","492.22","0.11","173","2","173","2","","","","","","","","5","P -3","-P 3","147","","","","- C6 H10 N24 O2 Zn3 -","- C6 H9.96 N24 O2 Zn3 -","- C6 H9.96 N24 O2 Zn3 -","1","0.166667","","Zhong, Di-Chang; Lu, Wen-Guan; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Three Coordination Polymers Based on 1H-Tetrazole (HTz) Generated via in Situ Decarboxylation: Synthesis, Structures, and Selective Gas Adsorption Properties","Crystal Growth & Design","2010","10","2","739","","10.1021/cg901128k","","","0.71073","MoKα","","0.0354","0.0278","","","0.0694","0.0742","","","","","","1.023","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502406","9.5513","0.0001","14.0864","0.0002","7.5528","0.0001","90","","90","","90","","1016.18","0.02","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H4 Cu2 N12 O -","- C3 H4 Cu2 N12 O -","- C12 H16 Cu8 N48 O4 -","4","0.5","","Zhong, Di-Chang; Lu, Wen-Guan; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Three Coordination Polymers Based on 1H-Tetrazole (HTz) Generated via in Situ Decarboxylation: Synthesis, Structures, and Selective Gas Adsorption Properties","Crystal Growth & Design","2010","10","2","739","","10.1021/cg901128k","","","1.54178","CuKα","","0.0466","0.042","","","0.1255","0.1289","","","","","","1.034","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502407","12.3634","0.0019","12.3634","0.0019","12.539","0.004","90","","90","","120","","1659.9","0.6","173","2","173","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C9 H25 Cu5 N37 O11 -","- C9 H9 Cu5 N37 O11 -","- C18 H18 Cu10 N74 O22 -","2","0.0833333","","Zhong, Di-Chang; Lu, Wen-Guan; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Three Coordination Polymers Based on 1H-Tetrazole (HTz) Generated via in Situ Decarboxylation: Synthesis, Structures, and Selective Gas Adsorption Properties","Crystal Growth & Design","2010","10","2","739","","10.1021/cg901128k","","","0.71073","MoKα","","0.1489","0.08","","","0.214","0.272","","","","","","1.012","","","","has coordinates,has disorder","179555","2020-10-21","18:00:00",""
"4502408","9.252","0.002","11.95","0.003","12.445","0.003","73.244","0.014","78.589","0.014","70.475","0.014","1233.9","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 N4 O9 -","- C24 H24 N4 O9 -","- C48 H48 N8 O18 -","2","1","","Dey, Sandeep Kumar; Das, Gopal","Conformational Polymorphism of a Simple Tripodal Podand Bearing Nitro Functionality","Crystal Growth & Design","2010","10","2","754","","10.1021/cg901153q","","","0.71073","MoKα","","0.1081","0.0459","","","0.1108","0.1318","","","","","","1.016","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502409","10.5408","0.0006","19.9111","0.0012","11.8327","0.0008","90","","105.594","0.003","90","","2392","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N4 O9 -","- C24 H24 N4 O9 -","- C96 H96 N16 O36 -","4","1","","Dey, Sandeep Kumar; Das, Gopal","Conformational Polymorphism of a Simple Tripodal Podand Bearing Nitro Functionality","Crystal Growth & Design","2010","10","2","754","","10.1021/cg901153q","","","0.71073","MoKα","","0.0769","0.0427","","","0.1066","0.1178","","","","","","0.954","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502410","23.1068","0.0015","23.107","","4.6074","0.0004","90","","90","","90","","2460","0.3","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H24 N4 O9 -","- C24 H24 N4 O9 -","- C96 H96 N16 O36 -","4","1","","Dey, Sandeep Kumar; Das, Gopal","Conformational Polymorphism of a Simple Tripodal Podand Bearing Nitro Functionality","Crystal Growth & Design","2010","10","2","754","","10.1021/cg901153q","","","0.71073","MoKα","","0.095","0.0522","","","0.121","0.1348","","","","","","0.921","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502411","15.0798","0.0019","15.0798","0.0019","35.075","0.009","90","","90","","120","","6907","2","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C27 H26 N9 O8 S Zn -","- C27 H12 N9 O7.96 S Zn -","- C162 H72 N54 O47.76 S6 Zn6 -","6","0.333333","","Adarsh, N. N.; Dastidar, Parthasarathi","A Borromean Weave Coordination Polymer Sustained by Urea−Sulfate Hydrogen Bonding and Its Selective Anion Separation Properties","Crystal Growth & Design","2010","10","2","483","","10.1021/cg901159r","","","0.71073","MoKα","","0.097","0.0866","","","0.2358","0.2462","","","","","","1.087","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502412","4.9904","0.0017","19.473","0.007","9.891","0.003","90","","93.762","0.005","90","","959.1","0.6","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H14 N4 O6 S Zn -","- C18 H14 N4 O6 S Zn -","- C36 H28 N8 O12 S2 Zn2 -","2","1","","Adarsh, N. N.; Dastidar, Parthasarathi","A Borromean Weave Coordination Polymer Sustained by Urea−Sulfate Hydrogen Bonding and Its Selective Anion Separation Properties","Crystal Growth & Design","2010","10","2","483","","10.1021/cg901159r","","","0.71073","MoKα","","0.0367","0.0318","","","0.0628","0.0646","","","","","","1.007","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502413","7.798","0.0008","8.9221","0.0008","9.3291","0.0009","90","","96.633","0.007","90","","644.72","0.11","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","trans-1,4-cyclohexanediol","","- C6 H12 O2 -","- C6 H12 O2 -","- C24 H48 O8 -","4","1","","Maria, Teresa M. R.; Castro, Ricardo A. E.; Bebiano, Suse S.; Ramos Silva, M.; Matos Beja, A.; Canotilho, João; Eusébio, M. Ermelinda S.","Polymorphism oftrans-1,4-Cyclohexanediol: Conformational Isomorphism","Crystal Growth & Design","2010","10","3","1194","","10.1021/cg901160v","","","0.71073","MoKα","","0.0934","0.0631","","","0.125","0.1402","","","","","","1.09","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502414","19.713","0.002","7.4085","0.0004","16.2048","0.0015","90","","128.216","0.016","90","","1859.4","0.5","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","‘Aluminium-Borate’","","","- C6 H21 Al B6 N2 O13 -","- C6 H21 Al B6 N2 O13 -","- C24 H84 Al4 B24 N8 O52 -","4","1","","Paul, Avijit Kumar; Natarajan, Srinivasan","Amine-Templated Aluminoborates Exhibiting Graphite and Diamond Nets","Crystal Growth & Design","2010","10","2","765","","10.1021/cg901161z","","","0.71073","MoKα","","0.0952","0.0553","","","0.1091","0.1192","","","","","","0.915","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502415","9.102","0.005","10.402","0.005","9.283","0.005","90","0.005","110.941","0.005","90","0.005","820.9","0.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","‘Aluminium-Borate’","","","- C5 H20 Al B5 N2 O12 -","- C5 H16 Al B5 N2 O12 -","- C10 H32 Al2 B10 N4 O24 -","2","1","","Paul, Avijit Kumar; Natarajan, Srinivasan","Amine-Templated Aluminoborates Exhibiting Graphite and Diamond Nets","Crystal Growth & Design","2010","10","2","765","","10.1021/cg901161z","","","0.71073","MoKα","","0.1227","0.0741","","","0.1462","0.165","","","","","","0.939","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502416","9.1093","0.0003","11.1484","0.0003","7.9463","0.0003","90","","117.733","0.002","90","","714.28","0.04","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","‘Aluminium-Borate’","","","- C5 H16 Al B5 N2 O10 -","- C5 H16 Al B5 N2 O10 -","- C10 H32 Al2 B10 N4 O20 -","2","0.5","","Paul, Avijit Kumar; Natarajan, Srinivasan","Amine-Templated Aluminoborates Exhibiting Graphite and Diamond Nets","Crystal Growth & Design","2010","10","2","765","","10.1021/cg901161z","","","0.71073","MoKα","","0.0408","0.0394","","","0.1106","0.1115","","","","","","1.062","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502417","8.921","0.0005","10.0784","0.0004","8.9621","0.0007","90","","109.686","0.007","90","","758.68","0.09","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","‘Aluminium-Borate’","","","- C5 H19 Al B5 N3 O11 -","- C5 H17 Al B5 N3 O11 -","- C10 H34 Al2 B10 N6 O22 -","2","1","","Paul, Avijit Kumar; Natarajan, Srinivasan","Amine-Templated Aluminoborates Exhibiting Graphite and Diamond Nets","Crystal Growth & Design","2010","10","2","765","","10.1021/cg901161z","","","0.71073","MoKα","","0.0349","0.0332","","","0.0822","0.0828","","","","","","1.052","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502418","6.7396","0.0003","9.9694","0.0005","21.1318","0.0012","79.526","0.002","81.032","0.002","81.066","0.003","1367.28","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 Cl4 Fe S12 -","- C15 H12 Cl4 Fe S12 -","- C30 H24 Cl8 Fe2 S24 -","2","1","","Zhang, Bin; Kurmoo, Mohamedally; Mori, Takehiko; Zhang, Yan; Pratt, Francis Laurence; Zhu, Daoben","Polymorphism in Hybrid Organic−Inorganic Bilayered Magnetic Conductors (BEDT-TTF)3(FeIIICl4)2, BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene","Crystal Growth & Design","2010","10","2","782","","10.1021/cg9011718","","","0.71073","MoKα","","0.2123","0.0569","","","0.0671","0.0887","","","","","","0.854","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4502419","55.9187","0.0007","6.7424","0.0001","14.9057","0.0003","90","","101.056","0.001","90","","5515.54","0.16","290","2","290","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 Cl8 Fe2 S24 -","- C30 H24 Cl8 Fe2 S24 -","- C120 H96 Cl32 Fe8 S96 -","4","0.5","","Zhang, Bin; Kurmoo, Mohamedally; Mori, Takehiko; Zhang, Yan; Pratt, Francis Laurence; Zhu, Daoben","Polymorphism in Hybrid Organic−Inorganic Bilayered Magnetic Conductors (BEDT-TTF)3(FeIIICl4)2, BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene","Crystal Growth & Design","2010","10","2","782","","10.1021/cg9011718","","","0.71073","MoKα","","0.1138","0.0408","","","0.0891","0.1037","","","","","","0.932","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502420","13.444","0.0002","14.6761","0.0002","28.1529","0.0005","100.738","0.001","96.875","0.001","90.017","0.001","5416.76","0.15","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Cl8 Fe2 S24 -","- C30 H24 Cl8 Fe2 S24 -","- C120 H96 Cl32 Fe8 S96 -","4","2","","Zhang, Bin; Kurmoo, Mohamedally; Mori, Takehiko; Zhang, Yan; Pratt, Francis Laurence; Zhu, Daoben","Polymorphism in Hybrid Organic−Inorganic Bilayered Magnetic Conductors (BEDT-TTF)3(FeIIICl4)2, BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene","Crystal Growth & Design","2010","10","2","782","","10.1021/cg9011718","","","0.71073","MoKα","","0.1777","0.0454","","","0.0888","0.1137","","","","","","0.815","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502421","13.3935","0.0002","14.5251","0.0002","28.1362","0.0005","100.556","0.001","96.86","0.001","90.028","0.001","5341.11","0.15","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Cl8 Fe2 S24 -","- C30 H24 Cl8 Fe2 S24 -","- C120 H96 Cl32 Fe8 S96 -","4","2","","Zhang, Bin; Kurmoo, Mohamedally; Mori, Takehiko; Zhang, Yan; Pratt, Francis Laurence; Zhu, Daoben","Polymorphism in Hybrid Organic−Inorganic Bilayered Magnetic Conductors (BEDT-TTF)3(FeIIICl4)2, BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene","Crystal Growth & Design","2010","10","2","782","","10.1021/cg9011718","","","0.71073","MoKα","","0.1405","0.0534","","","0.1128","0.1312","","","","","","0.953","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502422","21.25","0.003","21.25","0.003","7.72","0.0015","90","","90","","120","","3019","0.8","293","2","293","2","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C34 H16 F12 O9 Zn2 -","- C34 H16 F12 O9 Zn2 -","- C102 H48 F36 O27 Zn6 -","3","0.25","","Jiang, Hai-Long; Liu, Bo; Xu, Qiang","Rational Assembly of d10Metal−Organic Frameworks with Helical Nanochannels Based on Flexible V-Shaped Ligand","Crystal Growth & Design","2010","10","2","806","","10.1021/cg901181x","","","0.71073","MoKα","","0.0859","0.0608","","","0.1485","0.1646","","","","","","0.988","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502423","21.26","0.003","21.26","0.003","7.73","0.0015","90","","90","","120","","3025.8","0.8","293","2","293","2","","","","","","","","5","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C34 H16 F12 O9 Zn2 -","- C34 H16 F12 O9 Zn2 -","- C102 H48 F36 O27 Zn6 -","3","0.25","","Jiang, Hai-Long; Liu, Bo; Xu, Qiang","Rational Assembly of d10Metal−Organic Frameworks with Helical Nanochannels Based on Flexible V-Shaped Ligand","Crystal Growth & Design","2010","10","2","806","","10.1021/cg901181x","","","0.71073","MoKα","","0.0796","0.0649","","","0.1738","0.1929","","","","","","1.052","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502424","13.08","0.003","9.71","0.0019","25.53","0.008","90","","105.26","0.03","90","","3128.2","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 F6 N3 O5 Zn -","- C30 H24 F6 N3 O5 Zn -","- C120 H96 F24 N12 O20 Zn4 -","4","1","","Jiang, Hai-Long; Liu, Bo; Xu, Qiang","Rational Assembly of d10Metal−Organic Frameworks with Helical Nanochannels Based on Flexible V-Shaped Ligand","Crystal Growth & Design","2010","10","2","806","","10.1021/cg901181x","","","0.71073","MoKα","","0.061","0.0462","","","0.1371","0.1516","","","","","","1.02","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502425","27.66","0.005","7.49","0.0015","24.17","0.005","90","","90","","90","","5007.4","1.7","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C20 H14 Cd F6 N O5 -","- C20 H14 Cd F6 N O5 -","- C160 H112 Cd8 F48 N8 O40 -","8","1","","Jiang, Hai-Long; Liu, Bo; Xu, Qiang","Rational Assembly of d10Metal−Organic Frameworks with Helical Nanochannels Based on Flexible V-Shaped Ligand","Crystal Growth & Design","2010","10","2","806","","10.1021/cg901181x","","","0.71073","MoKα","","0.076","0.0638","","","0.1498","0.1531","","","","","","1.1","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502426","12.9233","0.0016","8.1664","0.001","9.1301","0.0011","90","","106.578","0.002","90","","923.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H5 N2 O4 Zn -","- C8 H5 N2 O4 Zn -","- C32 H20 N8 O16 Zn4 -","4","1","","Chen, Shui-Sheng; Fan, Jian; Okamura, Taka-aki; Chen, Man-Sheng; Su, Zhi; Sun, Wei-Yin; Ueyama, Norikazu","Synthesis, Crystal Structure, and Photoluminescence of a Series of Zinc(II) Coordination Polymers with 1,4-Di(1H-imidazol-4-yl)benzene and Varied Carboxylate Ligands","Crystal Growth & Design","2010","10","2","812","","10.1021/cg9011857","","","0.71073","MoKα","","0.0442","0.0409","","","0.1043","0.1065","","","","","","1.064","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502427","6.2991","0.0013","8.2673","0.0017","26.2","0.005","90","","90.05","0.03","90","","1364.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N2 O5 Zn -","- C14 H11 N2 O5 Zn -","- C56 H44 N8 O20 Zn4 -","4","1","","Chen, Shui-Sheng; Fan, Jian; Okamura, Taka-aki; Chen, Man-Sheng; Su, Zhi; Sun, Wei-Yin; Ueyama, Norikazu","Synthesis, Crystal Structure, and Photoluminescence of a Series of Zinc(II) Coordination Polymers with 1,4-Di(1H-imidazol-4-yl)benzene and Varied Carboxylate Ligands","Crystal Growth & Design","2010","10","2","812","","10.1021/cg9011857","","","0.71073","MoKα","","0.0495","0.0424","","","0.1117","0.1151","","","","","","1.006","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502428","8.0368","0.0016","13.327","0.003","24.049","0.005","90","","101.955","0.007","90","","2519.9","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N4 O9 Zn2 -","- C28 H20 N4 O9 Zn2 -","- C112 H80 N16 O36 Zn8 -","4","1","","Chen, Shui-Sheng; Fan, Jian; Okamura, Taka-aki; Chen, Man-Sheng; Su, Zhi; Sun, Wei-Yin; Ueyama, Norikazu","Synthesis, Crystal Structure, and Photoluminescence of a Series of Zinc(II) Coordination Polymers with 1,4-Di(1H-imidazol-4-yl)benzene and Varied Carboxylate Ligands","Crystal Growth & Design","2010","10","2","812","","10.1021/cg9011857","","","0.71073","MoKα","","0.0589","0.0475","","","0.1123","0.1156","","","","","","1.074","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502429","17.773","0.007","7.371","0.004","13.609","0.005","90","","106.445","0.016","90","","1709.9","1.3","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[Zn(L)(pbda)]","","- C20 H14 N4 O4 Zn -","- C20 H14 N4 O4 Zn -","- C80 H56 N16 O16 Zn4 -","4","0.5","","Chen, Shui-Sheng; Fan, Jian; Okamura, Taka-aki; Chen, Man-Sheng; Su, Zhi; Sun, Wei-Yin; Ueyama, Norikazu","Synthesis, Crystal Structure, and Photoluminescence of a Series of Zinc(II) Coordination Polymers with 1,4-Di(1H-imidazol-4-yl)benzene and Varied Carboxylate Ligands","Crystal Growth & Design","2010","10","2","812","","10.1021/cg9011857","","","0.71075","MoKα","","0.0238","0.0227","","","0.0584","0.0591","","","","","","1.076","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502430","6.889","0.0019","23.851","0.007","11.606","0.004","90","","96.082","0.013","90","","1896.2","1","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Zn2(L)2(BPDA)2]-2.68(H2O)","","- C40 H31.36 N4 O10.68 Zn2 -","- C40 H30 N4 O10.68 Zn2 -","- C80 H60 N8 O21.36 Zn4 -","2","0.5","","Chen, Shui-Sheng; Fan, Jian; Okamura, Taka-aki; Chen, Man-Sheng; Su, Zhi; Sun, Wei-Yin; Ueyama, Norikazu","Synthesis, Crystal Structure, and Photoluminescence of a Series of Zinc(II) Coordination Polymers with 1,4-Di(1H-imidazol-4-yl)benzene and Varied Carboxylate Ligands","Crystal Growth & Design","2010","10","2","812","","10.1021/cg9011857","","","0.71075","MoKα","","0.0556","0.0414","","","0.0852","0.092","","","","","","1.08","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502431","25.7152","0.0019","12.4412","0.0009","17.4887","0.0012","90","","131.226","0.001","90","","4208.2","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H36 N8 O17 Zn3 -","- C42 H36 N8 O17 Zn3 -","- C168 H144 N32 O68 Zn12 -","4","0.5","","Chen, Shui-Sheng; Fan, Jian; Okamura, Taka-aki; Chen, Man-Sheng; Su, Zhi; Sun, Wei-Yin; Ueyama, Norikazu","Synthesis, Crystal Structure, and Photoluminescence of a Series of Zinc(II) Coordination Polymers with 1,4-Di(1H-imidazol-4-yl)benzene and Varied Carboxylate Ligands","Crystal Growth & Design","2010","10","2","812","","10.1021/cg9011857","","","0.71073","MoKα","","0.0334","0.0304","","","0.0837","0.085","","","","","","1.066","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502432","19.712","0.015","38.57","0.03","7.082","0.005","90","","90","","90","","5384","7","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C16 H12 Ag N2 O2 -","- C16 H12 Ag N2 O2 -","- C256 H192 Ag16 N32 O32 -","16","1","","Li, Cheng-Peng; Chen, Jing; Yu, Qian; Du, Miao","Structural Modulation and Properties of Silver(I) Coordination Frameworks with Benzenedicarboxyl Tectons andtrans-1-(2-Pyridyl)-2-(4-pyridyl)ethylene Spacer","Crystal Growth & Design","2010","10","4","1623","","10.1021/cg901188g","","","0.71073","MoKα","","0.0253","0.0231","","","0.0536","0.0546","","","","","","1.07","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502433","9.7083","0.0005","10.2037","0.0006","18.3854","0.001","87.681","0.001","86.044","0.001","63.827","0.001","1630.53","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H27 Ag3 N4 O9 S -","- C32 H27 Ag3 N4 O9 S -","- C64 H54 Ag6 N8 O18 S2 -","2","1","","Li, Cheng-Peng; Chen, Jing; Yu, Qian; Du, Miao","Structural Modulation and Properties of Silver(I) Coordination Frameworks with Benzenedicarboxyl Tectons andtrans-1-(2-Pyridyl)-2-(4-pyridyl)ethylene Spacer","Crystal Growth & Design","2010","10","4","1623","","10.1021/cg901188g","","","0.71073","MoKα","","0.0327","0.0274","","","0.0608","0.0637","","","","","","1.039","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502434","7.1184","0.0007","19.0455","0.0017","10.0194","0.0009","90","","106.237","0.001","90","","1304.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Ag N2 O2 -","- C16 H12 Ag N2 O2 -","- C64 H48 Ag4 N8 O8 -","4","1","","Li, Cheng-Peng; Chen, Jing; Yu, Qian; Du, Miao","Structural Modulation and Properties of Silver(I) Coordination Frameworks with Benzenedicarboxyl Tectons andtrans-1-(2-Pyridyl)-2-(4-pyridyl)ethylene Spacer","Crystal Growth & Design","2010","10","4","1623","","10.1021/cg901188g","","","0.71073","MoKα","","0.0297","0.0222","","","0.0537","0.0556","","","","","","1.043","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502435","7.203","0.003","19.175","0.007","10.141","0.004","90","","106.756","0.007","90","","1341.2","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Ag N3 O2 -","- C16 H13 Ag N3 O2 -","- C64 H52 Ag4 N12 O8 -","4","1","","Li, Cheng-Peng; Chen, Jing; Yu, Qian; Du, Miao","Structural Modulation and Properties of Silver(I) Coordination Frameworks with Benzenedicarboxyl Tectons andtrans-1-(2-Pyridyl)-2-(4-pyridyl)ethylene Spacer","Crystal Growth & Design","2010","10","4","1623","","10.1021/cg901188g","","","0.71073","MoKα","","0.0437","0.0346","","","0.0968","0.1033","","","","","","1.084","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502436","10.6107","0.0004","17.49","0.0006","18.1407","0.0006","94.227","0.001","97.312","0.001","90.709","0.001","3329.3","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H52 Ag6 Br2 N10 O17 -","- C64 H52 Ag6 Br2 N10 O17 -","- C128 H104 Ag12 Br4 N20 O34 -","2","1","","Li, Cheng-Peng; Chen, Jing; Yu, Qian; Du, Miao","Structural Modulation and Properties of Silver(I) Coordination Frameworks with Benzenedicarboxyl Tectons andtrans-1-(2-Pyridyl)-2-(4-pyridyl)ethylene Spacer","Crystal Growth & Design","2010","10","4","1623","","10.1021/cg901188g","","","0.71073","MoKα","","0.0633","0.0382","","","0.0909","0.1033","","","","","","1.049","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502437","7.3564","0.0006","7.3564","0.0006","37.734","0.006","90","","90","","120","","1768.5","0.3","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Cl F8 O4 Pb4.5 -","- Cl F8 O4 Pb4.5 -","- Cl6 F48 O24 Pb27 -","6","0.333333","","Rogow, David L.; Russell, Matthew P.; Wayman, Lora M.; Swanson, Claudia H.; Oliver, Allen G.; Oliver, Scott R. J.","Hydrothermal Synthesis and Characterization of Three Cationic Inorganic−Organic Hybrid Materials Based on Lead Fluoride","Crystal Growth & Design","2010","10","2","823","","10.1021/cg9011923","","","0.71073","MoKα","","0.0319","0.0303","","","0.0867","0.0877","","","","","","1.089","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502438","24.16","0.003","4.6101","0.0006","8.8375","0.0011","90","","102.42","0.002","90","","961.3","0.2","296","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C3 H6 F2 O6 Pb2 S2 -","- C3 H6 F2 O6 Pb2 S2 -","- C12 H24 F8 O24 Pb8 S8 -","4","0.5","","Rogow, David L.; Russell, Matthew P.; Wayman, Lora M.; Swanson, Claudia H.; Oliver, Allen G.; Oliver, Scott R. J.","Hydrothermal Synthesis and Characterization of Three Cationic Inorganic−Organic Hybrid Materials Based on Lead Fluoride","Crystal Growth & Design","2010","10","2","823","","10.1021/cg9011923","","","0.71073","MoKα","","0.0199","0.0183","","","0.0504","0.0524","","","","","","0.955","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502439","26.455","0.003","4.6117","0.0006","8.8053","0.0011","90","","97.715","0.002","90","","1064.5","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C2 H4 F O3 Pb S -","- C2 H4 F O3 Pb S -","- C16 H32 F8 O24 Pb8 S8 -","8","1","","Rogow, David L.; Russell, Matthew P.; Wayman, Lora M.; Swanson, Claudia H.; Oliver, Allen G.; Oliver, Scott R. J.","Hydrothermal Synthesis and Characterization of Three Cationic Inorganic−Organic Hybrid Materials Based on Lead Fluoride","Crystal Growth & Design","2010","10","2","823","","10.1021/cg9011923","","","0.71073","MoKα","","0.0309","0.0289","","","0.0818","0.0834","","","","","","1.124","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502440","3.0278","0.0004","3.0278","","3.0278","","90","","90","","90","","27.758","0.004","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- V -","- V -","- V2 -","2","0.0208333","","Zolotoyabko, E.; Caspi, E. N.; Fieramosca, J. S.; Von Dreele, R. B.; Marin, F.; Mor, G.; Addadi, L.; Weiner, S.; Politi, Y.","Differences between Bond Lengths in Biogenic and Geological Calcite","Crystal Growth & Design","2010","10","3","1207","","10.1021/cg901195t","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502441","4.987429","0.000028","4.987429","","17.05058","0.00014","90","","90","","120","","367.302","0.004","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Zolotoyabko, E.; Caspi, E. N.; Fieramosca, J. S.; Von Dreele, R. B.; Marin, F.; Mor, G.; Addadi, L.; Weiner, S.; Politi, Y.","Differences between Bond Lengths in Biogenic and Geological Calcite","Crystal Growth & Design","2010","10","3","1207","","10.1021/cg901195t","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502442","3.0321","0.0006","3.0321","","3.0321","","90","","90","","90","","27.876","0.006","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- V -","- V -","- V2 -","2","0.0208333","","Zolotoyabko, E.; Caspi, E. N.; Fieramosca, J. S.; Von Dreele, R. B.; Marin, F.; Mor, G.; Addadi, L.; Weiner, S.; Politi, Y.","Differences between Bond Lengths in Biogenic and Geological Calcite","Crystal Growth & Design","2010","10","3","1207","","10.1021/cg901195t","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502443","4.97577","0.00005","4.97577","","16.99207","0.00024","90","","90","","120","","364.332","0.006","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Zolotoyabko, E.; Caspi, E. N.; Fieramosca, J. S.; Von Dreele, R. B.; Marin, F.; Mor, G.; Addadi, L.; Weiner, S.; Politi, Y.","Differences between Bond Lengths in Biogenic and Geological Calcite","Crystal Growth & Design","2010","10","3","1207","","10.1021/cg901195t","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502444","12.935","0.006","13.469","0.006","20.226","0.009","81.551","0.008","74.579","0.008","67.685","0.008","3138","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H80 Cd2 N6 O13 -","- C63 H80 Cd2 N6 O13 -","- C126 H160 Cd4 N12 O26 -","2","1","","Jin, Jun-Cheng; Wang, Yao-Yu; Liu, Ping; Liu, Rui-Ting; Ren, Chen; Shi, Qi-Zhen","An Unusual Independent 1D Metal−Organic Nanotube with Mesohelical Structure and 1D →2D Interdigitation","Crystal Growth & Design","2010","10","5","2029","","10.1021/cg901201s","","","0.71073","MoKα","","0.1298","0.0585","","","0.134","0.1485","","","","","","0.89","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502445","26.8102","0.0007","5.4333","0.0002","17.709","0.0005","90","","107.09","0.02","90","","2465.7","0.3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(3-methylsulfanyl-phenyl)-3-pyridin-2-yl-urea (form I)","","- C13 H13 N3 O S -","- C13 H13 N3 O S -","- C104 H104 N24 O8 S8 -","8","1","","Fucke, Katharina; Qureshi, Naseem; Yufit, Dmitry S.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen Bonding Is Not Everything: Extensive Polymorphism in a System with Conserved Hydrogen Bonded Synthons","Crystal Growth & Design","2010","10","2","880","","10.1021/cg901224f","","","0.71073","Mo-Kα","","0.0576","0.0411","","","0.1026","0.118","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502446","5.4862","0.0003","13.9388","0.0008","16.1959","0.0009","90","","93.59","0.02","90","","1236.09","0.12","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(3-methylsulfanyl-phenyl)-3-pyridin-2-yl-urea (form II)","","- C13 H13 N3 O S -","- C13 H13 N3 O S -","- C52 H52 N12 O4 S4 -","4","1","","Fucke, Katharina; Qureshi, Naseem; Yufit, Dmitry S.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen Bonding Is Not Everything: Extensive Polymorphism in a System with Conserved Hydrogen Bonded Synthons","Crystal Growth & Design","2010","10","2","880","","10.1021/cg901224f","","","0.71073","Mo-Kα","","0.064","0.0437","","","0.1072","0.1153","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502447","17.232","0.0014","5.483","0.0004","26.478","0.002","90","","90","","90","","2501.7","0.3","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-(3-methylsulfanyl-phenyl)-3-pyridin-2-yl-urea (form III)","","- C13 H13 N3 O S -","- C13 H13 N3 O S -","- C104 H104 N24 O8 S8 -","8","2","","Fucke, Katharina; Qureshi, Naseem; Yufit, Dmitry S.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen Bonding Is Not Everything: Extensive Polymorphism in a System with Conserved Hydrogen Bonded Synthons","Crystal Growth & Design","2010","10","2","880","","10.1021/cg901224f","","","0.71073","Mo-Kα","","0.0977","0.0557","","","0.0997","0.1068","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502448","11.5968","0.0004","5.3174","0.0002","20.2874","0.0008","90","","93.45","0.02","90","","1248.75","0.08","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(3-methylsulfanyl-phenyl)-3-pyridin-2-yl-urea (form IV)","","- C13 H13 N3 O S -","- C13 H13 N3 O S -","- C52 H52 N12 O4 S4 -","4","1","","Fucke, Katharina; Qureshi, Naseem; Yufit, Dmitry S.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen Bonding Is Not Everything: Extensive Polymorphism in a System with Conserved Hydrogen Bonded Synthons","Crystal Growth & Design","2010","10","2","880","","10.1021/cg901224f","","","0.71073","Mo-Kα","","0.0633","0.0446","","","0.1107","0.1257","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502449","20.351","0.004","7.3805","0.0016","18.116","0.004","90","","98.893","0.004","90","","2688.3","1","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H30 N4 Ni O4 -","- C28 H30 N4 Ni O4 -","- C112 H120 N16 Ni4 O16 -","4","1","","He, Haiyan; Collins, David; Dai, Fangna; Zhao, Xiaoliang; Zhang, Guoqing; Ma, Huiqing; Sun, Daofeng","Construction of Metal−Organic Frameworks with 1D Chain, 2D Grid, and 3D Porous Framework Based on a Flexible Imidazole Ligand and Rigid Benzenedicarboxylates","Crystal Growth & Design","2010","10","2","895","","10.1021/cg901227h","","","0.71073","MoKα","","0.1182","0.0659","","","0.1345","0.1586","","","","","","1.025","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502450","26.179","0.005","10.667","0.002","17.719","0.003","90","","112.398","0.004","90","","4574.8","1.5","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H24 N4 O4 Zn -","- C25 H24 N4 O4 Zn -","- C200 H192 N32 O32 Zn8 -","8","1","","He, Haiyan; Collins, David; Dai, Fangna; Zhao, Xiaoliang; Zhang, Guoqing; Ma, Huiqing; Sun, Daofeng","Construction of Metal−Organic Frameworks with 1D Chain, 2D Grid, and 3D Porous Framework Based on a Flexible Imidazole Ligand and Rigid Benzenedicarboxylates","Crystal Growth & Design","2010","10","2","895","","10.1021/cg901227h","","","0.71073","MoKα","","0.2299","0.0701","","","0.0973","0.1385","","","","","","0.898","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502451","18.7077","0.0011","24.8114","0.0015","21.5264","0.0013","90","","90","","90","","9991.8","1","273","2","273","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C200 H196 N32 O34 S0 Zn8 -","- C200 H188 N32 O34 Zn8 -","- C400 H376 N64 O68 Zn16 -","2","0.25","","He, Haiyan; Collins, David; Dai, Fangna; Zhao, Xiaoliang; Zhang, Guoqing; Ma, Huiqing; Sun, Daofeng","Construction of Metal−Organic Frameworks with 1D Chain, 2D Grid, and 3D Porous Framework Based on a Flexible Imidazole Ligand and Rigid Benzenedicarboxylates","Crystal Growth & Design","2010","10","2","895","","10.1021/cg901227h","","","0.71073","MoKα","","0.1361","0.0579","","","0.1367","0.1615","","","","","","0.905","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502452","5.16702","0.00008","17.6378","0.0003","19.737","0.0003","90","","90.9461","0.0009","90","","1798.48","0.05","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N4 O2 -","- C21 H18 N4 O2 -","- C84 H72 N16 O8 -","4","1","","Habgood, Matthew; Deij, Menno A.; Mazurek, Jaroslaw; Price, Sarah L.; ter Horst, Joop H.","Carbamazepine Co-crystallization with Pyridine Carboxamides: Rationalization by Complementary Phase Diagrams and Crystal Energy Landscapes","Crystal Growth & Design","2010","10","2","903","","10.1021/cg901230b","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","3.692","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502453","8.6115","0.0001","11.6104","0.0001","14.7472","0.0001","90","","90","","90","","1474.47","0.02","110","0.1","110","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-o-vanillylidene-L-histidine; 3-methoxysalicylidene-L-histidine; N-(2-oxy-3-methoxy-benzylidene)-L-histidine","","- C14 H17 N3 O5 -","- C14 H17 N3 O5 -","- C56 H68 N12 O20 -","4","1","","Drašković, Bojana M.; Bogdanović, Goran A.; Neelakantan, M. A.; Chamayou, Anne-Christine; Thalamuthu, S.; Avadhut, Yamini S.; Schmedt auf der Günne, Jörn; Banerjee, Sharmila; Janiak, Christoph","N-o-Vanillylidene-l-histidine: Experimental Charge Density Analysis of a Double Zwitterionic Amino Acid Schiff-Base Compound","Crystal Growth & Design","2010","10","4","1665","","10.1021/cg901239v","","","0.71073","MoKα","","0.0116","","","","","0.0126","","","","","","0.602","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502454","8.6155","0.0003","11.6223","0.0004","14.8504","0.0006","90","","90","","90","","1487","0.09","203","2","203","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-o-vanillylidene-L-histidine; 3-methoxysalicylidene-L-histidine; N-(2-oxy-3-methoxy-benzylidene)-L-histidine","","- C14 H17 N3 O5 -","- C14 H17 N3 O5 -","- C56 H68 N12 O20 -","4","1","","Drašković, Bojana M.; Bogdanović, Goran A.; Neelakantan, M. A.; Chamayou, Anne-Christine; Thalamuthu, S.; Avadhut, Yamini S.; Schmedt auf der Günne, Jörn; Banerjee, Sharmila; Janiak, Christoph","N-o-Vanillylidene-l-histidine: Experimental Charge Density Analysis of a Double Zwitterionic Amino Acid Schiff-Base Compound","Crystal Growth & Design","2010","10","4","1665","","10.1021/cg901239v","","","0.71073","MoKα","","0.0494","0.0406","","","0.1066","0.1137","","","","","","1.039","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502455","25.2695","0.0005","6.40931","0.00012","22.1631","0.0004","90","","120.868","0.0008","90","","3081.08","0.1","298.2","","","","","","","","","","","5","C 1 2 1","C 2y","5","spironolactone saccharin 1:1 cocrystal hemihydrate","7a-Acetylthio-3-oxo-17a-pregn-4-ene-21,17- carbolactone 1,1-Dioxo-1,2-benzothiazol-3-one hemihydrate","","- C31 H38 N O7.5 S2 -","- C31 H37 N O7.5 S2 -","- C124 H148 N4 O30 S8 -","4","1","","Takata, Noriyuki; Takano, Ryusuke; Uekusa, Hidehiro; Hayashi, Yoshiki; Terada, Katsuhide","A Spironolactone−Saccharin 1:1 Cocrystal Hemihydrate","Crystal Growth & Design","2010","10","5","2116","","10.1021/cg901242q","","","1.54187","CuKα","","","0.0862","","","","0.2252","","","","","","1.04","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502456","25.3887","0.0006","6.42688","0.00013","22.1104","0.0005","90","","121.604","0.001","90","","3072.71","0.12","298.2","","","","","","","","","","","5","C 1 2 1","C 2y","5","spironolactone saccharin 1:1 cocrystal","7a-Acetylthio-3-oxo-17a-pregn-4-ene-21,17- carbolactone 1,1-Dioxo-1,2-benzothiazol-3-one","","- C31 H37 N O7 S2 -","- C31 H37 N O7 S2 -","- C124 H148 N4 O28 S8 -","4","1","","Takata, Noriyuki; Takano, Ryusuke; Uekusa, Hidehiro; Hayashi, Yoshiki; Terada, Katsuhide","A Spironolactone−Saccharin 1:1 Cocrystal Hemihydrate","Crystal Growth & Design","2010","10","5","2116","","10.1021/cg901242q","","","1.54187","CuKα","","","0.0633","","","","0.1776","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502457","14.0133","0.0003","15.6692","0.0003","30.9146","0.0006","90","","90","","90","","6788.1","0.2","223.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","spironolactone saccharin 1/3 hydrate","7a-Acetylthio-3-oxo-17a-pregn-4-ene-21,17- carbolactone","","- C24 H32.67 O4.33 S -","- C24 H32 O4.33333 S -","- C288 H384 O52 S12 -","12","3","","Takata, Noriyuki; Takano, Ryusuke; Uekusa, Hidehiro; Hayashi, Yoshiki; Terada, Katsuhide","A Spironolactone−Saccharin 1:1 Cocrystal Hemihydrate","Crystal Growth & Design","2010","10","5","2116","","10.1021/cg901242q","","","1.54187","CuKα","","","0.0736","","","","0.1712","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502458","13.336","0.0012","13.5032","0.001","14.3737","0.0012","75.822","0.007","88.472","0.007","62.157","0.009","2207.4","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H48 Cd2 N4 O15 -","- C41 H48 Cd2 N4 O15 -","- C82 H96 Cd4 N8 O30 -","2","1","","Hazra, Shantanu; Sarkar, Biswarup; Naiya, Subrata; Drew, Michael G. B.; Frontera, Antonio; Escudero, Daniel; Ghosh, Ashutosh","Self-Assembled Molecular Complexes and Coordination Polymers of CdII, Hexamine, and Monocarboxylates: Structural Analysis and Theoretical Studies of Supramolecular Interactions","Crystal Growth & Design","2010","10","4","1677","","10.1021/cg901245z","","","0.71073","MoKα","","0.0516","0.0388","","","0.1034","0.1069","","","","","","0.978","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502459","10.0877","0.0009","13.1379","0.0012","13.3299","0.0011","79.968","0.002","84.832","0.002","68.813","0.002","1621.3","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H78 Cd3 N8 O24 -","- C54 H78 Cd3 N8 O24 -","- C54 H78 Cd3 N8 O24 -","1","0.5","","Hazra, Shantanu; Sarkar, Biswarup; Naiya, Subrata; Drew, Michael G. B.; Frontera, Antonio; Escudero, Daniel; Ghosh, Ashutosh","Self-Assembled Molecular Complexes and Coordination Polymers of CdII, Hexamine, and Monocarboxylates: Structural Analysis and Theoretical Studies of Supramolecular Interactions","Crystal Growth & Design","2010","10","4","1677","","10.1021/cg901245z","","","0.71073","MoKα","","0.0703","0.0446","","","0.1013","0.113","","","","","","0.936","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502460","6.1343","0.0003","12.8226","0.0004","28","0.002","90","","90.239","0.006","90","","2202.4","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 Cd N4 O5 -","- C22 H28 Cd N4 O5 -","- C88 H112 Cd4 N16 O20 -","4","1","","Hazra, Shantanu; Sarkar, Biswarup; Naiya, Subrata; Drew, Michael G. B.; Frontera, Antonio; Escudero, Daniel; Ghosh, Ashutosh","Self-Assembled Molecular Complexes and Coordination Polymers of CdII, Hexamine, and Monocarboxylates: Structural Analysis and Theoretical Studies of Supramolecular Interactions","Crystal Growth & Design","2010","10","4","1677","","10.1021/cg901245z","","","0.71073","MoKα","","0.0414","0.0302","","","0.0613","0.0635","","","","","","0.971","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502461","13.013","0.009","17.7","0.003","17.636","0.002","90","","90","","90","","4062","3","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H60 Cd3 N8 O21 -","- C24 H58 Cd3 N8 O21 -","- C96 H232 Cd12 N32 O84 -","4","1","","Hazra, Shantanu; Sarkar, Biswarup; Naiya, Subrata; Drew, Michael G. B.; Frontera, Antonio; Escudero, Daniel; Ghosh, Ashutosh","Self-Assembled Molecular Complexes and Coordination Polymers of CdII, Hexamine, and Monocarboxylates: Structural Analysis and Theoretical Studies of Supramolecular Interactions","Crystal Growth & Design","2010","10","4","1677","","10.1021/cg901245z","","","0.71073","MoKα","","0.0546","0.0352","","","0.0657","0.0686","","","","","","0.937","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502462","15.49","0.003","15.49","0.003","12.785","0.004","90","","90","","120","","2656.6","1.1","293","2","293","2","","","","","","","","4","P 32","P 32","145","","","","- C35 H39 N3 O8 -","- C35 H39 N3 O8 -","- C105 H117 N9 O24 -","3","1","","Angelici, Gaetano; Castellucci, Nicola; Falini, Giuseppe; Huster, Daniel; Monari, Magda; Tomasini, Claudia","Pseudopeptides Designed to Form Supramolecular Helixes: The Role of the Stereogenic Centers","Crystal Growth & Design","2010","10","2","923","","10.1021/cg9012558","","","0.71073","MoKα","","0.0426","0.0356","","","0.0829","0.0865","","","","","","1.132","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502463","5.2677","0.0008","12.8473","0.0019","13.2353","0.0019","111.866","0.002","95.348","0.002","91.591","0.002","825.8","0.2","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C35 H39 N3 O8 -","- C35 H39 N3 O8 -","- C35 H39 N3 O8 -","1","1","","Angelici, Gaetano; Castellucci, Nicola; Falini, Giuseppe; Huster, Daniel; Monari, Magda; Tomasini, Claudia","Pseudopeptides Designed to Form Supramolecular Helixes: The Role of the Stereogenic Centers","Crystal Growth & Design","2010","10","2","923","","10.1021/cg9012558","","","0.71073","MoKα","","0.0637","0.0543","","","0.1398","0.1475","","","","","","1.048","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502464","5.4533","0.0003","17.5926","0.001","20.542","0.0013","90","","90","","90","","1970.8","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 N2 O6 Zn -","- C22 H18 N2 O6 Zn -","- C88 H72 N8 O24 Zn4 -","4","1","","Liu, Li; Huang, Shu-Ping; Yang, Guo-Dong; Zhang, Hao; Wang, Xiao-Li; Fu, Zhi-Yong; Dai, Jing-Cao","Zn[Htma][ddm]: An Interesting Three-Dimensional Chiral Nonlinear Optical-Active Zinc-Trimesate Framework†","Crystal Growth & Design","2010","10","2","930","","10.1021/cg901259e","","","0.71073","MoKα","","0.0456","0.0376","","","0.0857","0.0911","","","","","","1.073","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502465","9.9085","0.001","9.9085","0.001","33.643","0.007","90","","90","","120","","2860.5","0.7","571","2","571","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C54 H52 F12 N18 O2 P2 Zn -","- C54 H51.8 F12 N18 O2 P2 Zn -","- C108 H103.6 F24 N36 O4 P4 Zn2 -","2","0.166667","","Ni, Tianjun; Shao, Min; Zhu, Shourong; Zhao, Yongmei; Xing, Feifei; Li, Mingxing","Lotus-Root-like One-Dimensional Polymetallocages with Drastic Void Adaptability Constructed from 4,4′-Bis(1,2,4-triazol-1-ylmethyl)biphenyl and Zn(II) or Co(II) and Their Fluorescein Encapsulation Properties","Crystal Growth & Design","2010","10","2","943","","10.1021/cg901264e","","","0.71073","MoKα","","0.05","0.0433","","","0.1218","0.1282","","","","","","1.072","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502466","11.0615","0.0008","11.0615","0.0008","31.618","0.004","90","","90","","120","","3350.4","0.5","296","2","296","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C54 H52 Co F12 N18 O2 P2 -","- C54 H51.98 Co F12 N18 O2 P2 -","- C108 H103.96 Co2 F24 N36 O4 P4 -","2","0.166667","","Ni, Tianjun; Shao, Min; Zhu, Shourong; Zhao, Yongmei; Xing, Feifei; Li, Mingxing","Lotus-Root-like One-Dimensional Polymetallocages with Drastic Void Adaptability Constructed from 4,4′-Bis(1,2,4-triazol-1-ylmethyl)biphenyl and Zn(II) or Co(II) and Their Fluorescein Encapsulation Properties","Crystal Growth & Design","2010","10","2","943","","10.1021/cg901264e","","","0.71073","MoKα","","0.0932","0.0765","","","0.1922","0.2066","","","","","","0.936","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502467","17.472","0.0003","7.297","0.0004","17.659","0.0004","90","","100.737","0.001","90","","2211.99","0.14","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 Cd N2 O6 -","- C26 H20 Cd N2 O6 -","- C104 H80 Cd4 N8 O24 -","4","0.5","","Li, Shun-Li; Tan, Ke; Lan, Ya-Qian; Qin, Jun-Sheng; Li, Mei-Na; Du, Dong-Ying; Zang, Hong-Ying; Su, Zhong-Min","pH-Dependent Binary Metal−Organic Compounds Assembled from Different Helical Units: Structural Variation and Supramolecular Isomers","Crystal Growth & Design","2010","10","4","1699","","10.1021/cg9012763","","","0.71069","MoKα","","0.0225","0.0208","","","0.0522","0.0531","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502468","11.826","0.0003","6.769","0.0005","15.883","0.0007","90","","111.615","0.001","90","","1182.03","0.11","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C26 H22 Cd N2 O7 -","- C26 H22 Cd N2 O7 -","- C52 H44 Cd2 N4 O14 -","2","0.5","","Li, Shun-Li; Tan, Ke; Lan, Ya-Qian; Qin, Jun-Sheng; Li, Mei-Na; Du, Dong-Ying; Zang, Hong-Ying; Su, Zhong-Min","pH-Dependent Binary Metal−Organic Compounds Assembled from Different Helical Units: Structural Variation and Supramolecular Isomers","Crystal Growth & Design","2010","10","4","1699","","10.1021/cg9012763","","","0.71069","MoKα","","0.029","0.0265","","","0.0664","0.0679","","","","","","1.063","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502469","15.612","0.0004","6.022","0.0005","14.147","0.0009","90","","111.21","0.001","90","","1239.94","0.13","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H22 Cd N2 O7 -","- C26 H22 Cd N2 O7 -","- C52 H44 Cd2 N4 O14 -","2","0.5","","Li, Shun-Li; Tan, Ke; Lan, Ya-Qian; Qin, Jun-Sheng; Li, Mei-Na; Du, Dong-Ying; Zang, Hong-Ying; Su, Zhong-Min","pH-Dependent Binary Metal−Organic Compounds Assembled from Different Helical Units: Structural Variation and Supramolecular Isomers","Crystal Growth & Design","2010","10","4","1699","","10.1021/cg9012763","","","0.71069","MoKα","","0.0185","0.0185","","","0.0453","0.0453","","","","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502470","15.583","0.0007","6.018","0.0009","14.115","0.0015","90","","111.026","0.002","90","","1235.5","0.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H22 Cd N2 O7 -","- C26 H22 Cd N2 O7 -","- C52 H44 Cd2 N4 O14 -","2","0.5","","Li, Shun-Li; Tan, Ke; Lan, Ya-Qian; Qin, Jun-Sheng; Li, Mei-Na; Du, Dong-Ying; Zang, Hong-Ying; Su, Zhong-Min","pH-Dependent Binary Metal−Organic Compounds Assembled from Different Helical Units: Structural Variation and Supramolecular Isomers","Crystal Growth & Design","2010","10","4","1699","","10.1021/cg9012763","","","0.71069","MoKα","","0.0235","0.0234","","","0.0604","0.0604","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502471","47.673","0.0003","6.78","0.0008","16.11","0.0012","90","","106.883","0.001","90","","4982.7","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Cd N2 O7 -","- C26 H16 Cd N2 O7 -","- C208 H128 Cd8 N16 O56 -","8","1","","Li, Shun-Li; Tan, Ke; Lan, Ya-Qian; Qin, Jun-Sheng; Li, Mei-Na; Du, Dong-Ying; Zang, Hong-Ying; Su, Zhong-Min","pH-Dependent Binary Metal−Organic Compounds Assembled from Different Helical Units: Structural Variation and Supramolecular Isomers","Crystal Growth & Design","2010","10","4","1699","","10.1021/cg9012763","","","0.71069","MoKα","","0.0875","0.0769","","","0.1845","0.1897","","","","","","1.176","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502472","5.827","0.0005","15.52","0.0012","13.594","0.0014","90","","97.322","0.002","90","","1219.35","0.19","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 Cd N2 O8 -","- C26 H24 Cd N2 O8 -","- C52 H48 Cd2 N4 O16 -","2","1","","Li, Shun-Li; Tan, Ke; Lan, Ya-Qian; Qin, Jun-Sheng; Li, Mei-Na; Du, Dong-Ying; Zang, Hong-Ying; Su, Zhong-Min","pH-Dependent Binary Metal−Organic Compounds Assembled from Different Helical Units: Structural Variation and Supramolecular Isomers","Crystal Growth & Design","2010","10","4","1699","","10.1021/cg9012763","","","0.71069","MoKα","","0.0399","0.0335","","","0.0793","0.0828","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502473","25.992","0.004","25.992","0.004","23.403","0.005","90","","90","","90","","15811","5","153","2","153","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C58 H46 Br4 Cl5 N8 O12 Tb3 -","- C58 H46 Br4 Cl5 N8 O12 Tb3 -","- C464 H368 Br32 Cl40 N64 O96 Tb24 -","8","0.5","","Yang, Xiaoping; Jones, Richard A.; Wiester, Michael J.; Oye, Michael M.; Wong, Wai-Kwok","Transformation of a Luminescent Benzimidazole-Based Yb3Cluster into a One-Dimensional Coordination Polymer","Crystal Growth & Design","2010","10","2","970","","10.1021/cg901283k","","","0.71073","MoKα","","0.1879","0.0962","","","0.2024","0.2334","","","","","","1.026","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502474","25.943","0.004","25.943","0.004","23.312","0.005","90","","90","","90","","15690","5","153","2","153","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C58 H46 Br4 Cl5 Er3 N8 O12 -","- C58 H46 Br4 Cl5 Er3 N8 O12 -","- C464 H368 Br32 Cl40 Er24 N64 O96 -","8","0.5","","Yang, Xiaoping; Jones, Richard A.; Wiester, Michael J.; Oye, Michael M.; Wong, Wai-Kwok","Transformation of a Luminescent Benzimidazole-Based Yb3Cluster into a One-Dimensional Coordination Polymer","Crystal Growth & Design","2010","10","2","970","","10.1021/cg901283k","","","0.71073","MoKα","","0.1026","0.0615","","","0.1563","0.1864","","","","","","1.05","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502475","25.902","0.004","25.902","0.004","23.203","0.005","90","","90","","90","","15567","5","153","2","153","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C58 H46 Br4 Cl5 N8 O12 Yb3 -","- C58 H46 Br4 Cl5 N8 O12 Yb3 -","- C464 H368 Br32 Cl40 N64 O96 Yb24 -","8","0.5","","Yang, Xiaoping; Jones, Richard A.; Wiester, Michael J.; Oye, Michael M.; Wong, Wai-Kwok","Transformation of a Luminescent Benzimidazole-Based Yb3Cluster into a One-Dimensional Coordination Polymer","Crystal Growth & Design","2010","10","2","970","","10.1021/cg901283k","","","0.71073","MoKα","","0.0897","0.0563","","","0.1461","0.1716","","","","","","1.077","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502476","25.912","0.004","25.912","0.004","22.76","0.005","90","","90","","90","","15282","5","153","2","153","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C64 H52 Br4 Cl N8 O16 Yb3 -","- C64 H52 Br4 Cl N8 O16 Yb3 -","- C512 H416 Br32 Cl8 N64 O128 Yb24 -","8","0.5","","Yang, Xiaoping; Jones, Richard A.; Wiester, Michael J.; Oye, Michael M.; Wong, Wai-Kwok","Transformation of a Luminescent Benzimidazole-Based Yb3Cluster into a One-Dimensional Coordination Polymer","Crystal Growth & Design","2010","10","2","970","","10.1021/cg901283k","","","0.71073","MoKα","","0.1578","0.0958","","","0.1656","0.2484","","","","","","0.989","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502477","16.9242","0.0013","29.187","0.002","10.8676","0.0009","90","","90","","90","","5368.2","0.7","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C27 H21 N12 O6 Ru -","- C27 H21 N12 O6 Ru -","- C108 H84 N48 O24 Ru4 -","4","0.5","","Yang, Li-Fei; Cao, Man-Li; Cui, Ying; Wu, Jin-Ji; Ye, Bao-Hui","Liquid-Assisted Solid-State Reaction: Formation of a Three-Dimensional Hydrogen-Bonded Network and Evidence for Proton Induced Electron Transfer","Crystal Growth & Design","2010","10","3","1263","","10.1021/cg901286b","","","0.71073","MoKα","","0.0588","0.0383","","","0.0837","0.0862","","","","","","1.004","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502478","9.241","0.0012","12.4659","0.0015","24.306","0.003","90","","96.541","0.002","90","","2781.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 N12 O6 Ru -","- C27 H22 N12 O6 Ru -","- C108 H88 N48 O24 Ru4 -","4","1","","Yang, Li-Fei; Cao, Man-Li; Cui, Ying; Wu, Jin-Ji; Ye, Bao-Hui","Liquid-Assisted Solid-State Reaction: Formation of a Three-Dimensional Hydrogen-Bonded Network and Evidence for Proton Induced Electron Transfer","Crystal Growth & Design","2010","10","3","1263","","10.1021/cg901286b","","","0.71073","MoKα","","0.0852","0.0619","","","0.162","0.1776","","","","","","1.014","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502479","10.7082","0.0004","32.3079","0.0009","58.66","0.002","90","","90","","90","","20294","1.2","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C27 H21 N12 O6 Ru -","- C27 H21 N12 O6 Ru -","- C432 H336 N192 O96 Ru16 -","16","0.5","","Yang, Li-Fei; Cao, Man-Li; Cui, Ying; Wu, Jin-Ji; Ye, Bao-Hui","Liquid-Assisted Solid-State Reaction: Formation of a Three-Dimensional Hydrogen-Bonded Network and Evidence for Proton Induced Electron Transfer","Crystal Growth & Design","2010","10","3","1263","","10.1021/cg901286b","","","0.71073","MoKα","","0.0784","0.0504","","","0.1171","0.1238","","","","","","1.006","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502480","18.0934","0.0012","12.9305","0.0009","10.9566","0.0008","90","","90","","90","","2563.4","0.3","223","2","223","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C12 H11 Ag N4 O4 -","- C12 H11 Ag N4 O4 -","- C96 H88 Ag8 N32 O32 -","8","","","Kundu, Nabanita; Audhya, Anandalok; Abtab, Sk Md Towsif; Ghosh, Sanjib; Tiekink, Edward R. T.; Chaudhury, Muktimoy","Anion-Controlled Assembly of Silver(I) Complexes of Multiring Heterocyclic Ligands: A Structural and Photophysical Study","Crystal Growth & Design","2010","10","3","1269","","10.1021/cg901288h","","","0.71069","MoKα","","0.04","0.031","","","0.063","0.066","","","","","","0.97","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502481","20.362","0.004","10.759","0.002","14.713","0.003","90","","119.614","0.004","90","","2802.2","1","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 Ag F3 N3 O2 -","- C14 H9 Ag F3 N3 O2 -","- C112 H72 Ag8 F24 N24 O16 -","8","1","","Kundu, Nabanita; Audhya, Anandalok; Abtab, Sk Md Towsif; Ghosh, Sanjib; Tiekink, Edward R. T.; Chaudhury, Muktimoy","Anion-Controlled Assembly of Silver(I) Complexes of Multiring Heterocyclic Ligands: A Structural and Photophysical Study","Crystal Growth & Design","2010","10","3","1269","","10.1021/cg901288h","","","0.71069","MoKα","","0.037","0.029","","","0.067","0.071","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502482","11.7893","0.0005","16.909","0.0007","24.3902","0.0011","90","","94.909","0.001","90","","4844.2","0.4","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H35 Ag2 Cl2 N8 O8.5 S4 -","- C49 H35 Ag2 Cl2 N8 O8.5 S4 -","- C196 H140 Ag8 Cl8 N32 O34 S16 -","4","1","","Kundu, Nabanita; Audhya, Anandalok; Abtab, Sk Md Towsif; Ghosh, Sanjib; Tiekink, Edward R. T.; Chaudhury, Muktimoy","Anion-Controlled Assembly of Silver(I) Complexes of Multiring Heterocyclic Ligands: A Structural and Photophysical Study","Crystal Growth & Design","2010","10","3","1269","","10.1021/cg901288h","","","0.71069","MoKα","","0.08","0.058","","","0.148","0.16","","","","","","1.1","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4502483","5.828","0.0004","7.4235","0.0005","28.6613","0.0017","87.738","0.001","85.342","0.001","83.904","0.001","1228.33","0.14","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H19 Ag N4 O4 S2 -","- C28 H19 Ag N4 O4 S2 -","- C56 H38 Ag2 N8 O8 S4 -","2","1","","Kundu, Nabanita; Audhya, Anandalok; Abtab, Sk Md Towsif; Ghosh, Sanjib; Tiekink, Edward R. T.; Chaudhury, Muktimoy","Anion-Controlled Assembly of Silver(I) Complexes of Multiring Heterocyclic Ligands: A Structural and Photophysical Study","Crystal Growth & Design","2010","10","3","1269","","10.1021/cg901288h","","","0.71069","MoKα","","0.048","0.042","","","0.106","0.114","","","","","","1.14","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502484","8.2886","0.0007","9.0739","0.0007","9.8794","0.0008","106.184","0.002","96.569","0.002","116.873","0.002","610.95","0.09","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Ag2 N8 O6 -","- C24 H18 Ag2 N8 O6 -","- C24 H18 Ag2 N8 O6 -","1","0.5","","Kundu, Nabanita; Audhya, Anandalok; Abtab, Sk Md Towsif; Ghosh, Sanjib; Tiekink, Edward R. T.; Chaudhury, Muktimoy","Anion-Controlled Assembly of Silver(I) Complexes of Multiring Heterocyclic Ligands: A Structural and Photophysical Study","Crystal Growth & Design","2010","10","3","1269","","10.1021/cg901288h","","","0.71069","MoKα","","0.037","0.033","","","0.085","0.097","","","","","","1.15","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502485","4.8547","0.0003","21.3116","0.0013","14.3407","0.0008","90","","96.115","0.001","90","","1475.27","0.15","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 Ag2 N6 O8 -","- C32 H24 Ag2 N6 O8 -","- C64 H48 Ag4 N12 O16 -","2","0.5","","Kundu, Nabanita; Audhya, Anandalok; Abtab, Sk Md Towsif; Ghosh, Sanjib; Tiekink, Edward R. T.; Chaudhury, Muktimoy","Anion-Controlled Assembly of Silver(I) Complexes of Multiring Heterocyclic Ligands: A Structural and Photophysical Study","Crystal Growth & Design","2010","10","3","1269","","10.1021/cg901288h","","","0.71069","MoKα","","0.04","0.033","","","0.081","0.085","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502486","15.924","0.002","11.596","0.0017","12.9422","0.0019","90","","93.207","0.003","90","","2386.1","0.6","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Ag2 F6 N6 Si -","- C24 H18 Ag2 F6 N6 Si -","- C96 H72 Ag8 F24 N24 Si4 -","4","0.5","","Kundu, Nabanita; Audhya, Anandalok; Abtab, Sk Md Towsif; Ghosh, Sanjib; Tiekink, Edward R. T.; Chaudhury, Muktimoy","Anion-Controlled Assembly of Silver(I) Complexes of Multiring Heterocyclic Ligands: A Structural and Photophysical Study","Crystal Growth & Design","2010","10","3","1269","","10.1021/cg901288h","","","0.71069","MoKα","","0.024","0.022","","","0.056","0.057","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502487","8.6754","0.0011","8.8529","0.0011","9.5078","0.0011","102.345","0.003","114.366","0.002","102.287","0.003","611.49","0.13","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 Ag N3 O3 S -","- C12 H8 Ag N3 O3 S -","- C24 H16 Ag2 N6 O6 S2 -","2","1","","Kundu, Nabanita; Audhya, Anandalok; Abtab, Sk Md Towsif; Ghosh, Sanjib; Tiekink, Edward R. T.; Chaudhury, Muktimoy","Anion-Controlled Assembly of Silver(I) Complexes of Multiring Heterocyclic Ligands: A Structural and Photophysical Study","Crystal Growth & Design","2010","10","3","1269","","10.1021/cg901288h","","","0.71069","MoKα","","0.042","0.033","","","0.077","0.082","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502488","8.0905","0.0004","9.9052","0.0005","10.4672","0.0006","109.183","0.001","101.972","0.001","97.667","0.001","756.34","0.07","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H8 Ag F3 N2 O3 S2 -","- C13 H8 Ag F3 N2 O3 S2 -","- C26 H16 Ag2 F6 N4 O6 S4 -","2","1","","Kundu, Nabanita; Audhya, Anandalok; Abtab, Sk Md Towsif; Ghosh, Sanjib; Tiekink, Edward R. T.; Chaudhury, Muktimoy","Anion-Controlled Assembly of Silver(I) Complexes of Multiring Heterocyclic Ligands: A Structural and Photophysical Study","Crystal Growth & Design","2010","10","3","1269","","10.1021/cg901288h","","","0.71069","MoKα","","0.03","0.028","","","0.068","0.07","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502489","8.0316","0.0012","9.0376","0.0013","9.753","0.0015","77.17","0.003","68.834","0.002","66.673","0.002","603.62","0.16","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H6 N8 O7 Zn2 -","- C4 H6 N8 O7 Zn2 -","- C8 H12 N16 O14 Zn4 -","2","1","","Li, Dong-Ping; Zhou, Xin-Hui; Liang, Xiao-Qiang; Li, Cheng-Hui; Chen, Chao; Liu, Jian; You, Xiao-Zeng","Novel Structural Diversity of Triazolate-Based Coordination Polymers Generated Solvothermally with Anions","Crystal Growth & Design","2010","10","5","2136","","10.1021/cg9012894","","","0.71073","MoKα","","0.0317","0.0292","","","0.0792","0.0807","","","","","","1.029","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502490","5.1572","0.0008","7.801","0.0011","15.051","0.002","88.404","0.003","87.843","0.002","85.791","0.003","603.27","0.15","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H6 N6 O8 S2 Zn2 -","- C4 H6 N6 O8 S2 Zn2 -","- C8 H12 N12 O16 S4 Zn4 -","2","1","","Li, Dong-Ping; Zhou, Xin-Hui; Liang, Xiao-Qiang; Li, Cheng-Hui; Chen, Chao; Liu, Jian; You, Xiao-Zeng","Novel Structural Diversity of Triazolate-Based Coordination Polymers Generated Solvothermally with Anions","Crystal Growth & Design","2010","10","5","2136","","10.1021/cg9012894","","","0.71073","MoKα","","0.0499","0.0482","","","0.1338","0.1353","","","","","","1.061","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502491","5.5144","0.001","8.0021","0.0015","9.2467","0.0017","78.487","0.003","72.869","0.003","87.2","0.003","382.06","0.12","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H5 Cd N3 O5 S -","- C2 H5 Cd N3 O5 S -","- C4 H10 Cd2 N6 O10 S2 -","2","1","","Li, Dong-Ping; Zhou, Xin-Hui; Liang, Xiao-Qiang; Li, Cheng-Hui; Chen, Chao; Liu, Jian; You, Xiao-Zeng","Novel Structural Diversity of Triazolate-Based Coordination Polymers Generated Solvothermally with Anions","Crystal Growth & Design","2010","10","5","2136","","10.1021/cg9012894","","","0.71073","MoKα","","0.0267","0.0237","","","0.0592","0.0603","","","","","","1.026","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502492","8.0222","0.0008","18.1099","0.0018","21.954","0.002","90","","90","","90","","3189.5","0.5","291","2","291","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C6 H8 Cd2 N10 O4 -","- C6 H8 Cd2 N10 O4 -","- C48 H64 Cd16 N80 O32 -","8","1","","Li, Dong-Ping; Zhou, Xin-Hui; Liang, Xiao-Qiang; Li, Cheng-Hui; Chen, Chao; Liu, Jian; You, Xiao-Zeng","Novel Structural Diversity of Triazolate-Based Coordination Polymers Generated Solvothermally with Anions","Crystal Growth & Design","2010","10","5","2136","","10.1021/cg9012894","","","0.71073","MoKα","","0.0818","0.0804","","","0.1821","0.1827","","","","","","1.285","","","","has coordinates,has disorder","179555","2020-10-21","18:00:00",""
"4502493","10.7383","0.0011","26.276","0.003","7.8516","0.0008","90","","90","","90","","2215.4","0.4","291","2","291","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C10 H12 Br Cd3 N15 O -","- C10 H12 Br Cd3 N15 O -","- C40 H48 Br4 Cd12 N60 O4 -","4","0.5","","Li, Dong-Ping; Zhou, Xin-Hui; Liang, Xiao-Qiang; Li, Cheng-Hui; Chen, Chao; Liu, Jian; You, Xiao-Zeng","Novel Structural Diversity of Triazolate-Based Coordination Polymers Generated Solvothermally with Anions","Crystal Growth & Design","2010","10","5","2136","","10.1021/cg9012894","","","0.71073","MoKα","","0.0828","0.0733","","","0.1733","0.1815","","","","","","1.099","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502494","8.8115","0.0013","12.2454","0.0018","7.2356","0.0012","90","","108.886","0.001","90","","738.7","0.2","298","2","298","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C13 H8 Cl N3 O3 S Zn -","- C13 H8 Cl N3 O3 S Zn -","- C26 H16 Cl2 N6 O6 S2 Zn2 -","2","1","","Ma, Qi; Zhu, Miaoli; Yuan, Caixia; Feng, Sisi; Lu, Liping; Wang, Qingming","A Molecular Helix: Self-Assembly of Coordination Polymers from d10Metal Ions and 1,10-Phenanthroline-5,6-dione (pdon) with the Bridges of SCN−and Cl−Anions","Crystal Growth & Design","2010","10","4","1706","","10.1021/cg901297y","","","0.71073","MoKα","","0.0596","0.0544","","","0.1391","0.1419","","","","","","1.037","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502495","13.1392","0.0015","13.0766","0.0014","17.2116","0.0018","90","","91.253","0.001","90","","2956.5","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H12 Cd2 N8 O4 S4 -","- C28 H12 Cd2 N8 O4 S4 -","- C112 H48 Cd8 N32 O16 S16 -","4","1","","Ma, Qi; Zhu, Miaoli; Yuan, Caixia; Feng, Sisi; Lu, Liping; Wang, Qingming","A Molecular Helix: Self-Assembly of Coordination Polymers from d10Metal Ions and 1,10-Phenanthroline-5,6-dione (pdon) with the Bridges of SCN−and Cl−Anions","Crystal Growth & Design","2010","10","4","1706","","10.1021/cg901297y","","","0.71073","MoKα","","0.1737","0.0915","","","0.2166","0.2491","","","","","","0.884","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502496","42.098","0.004","8.3101","0.0008","12.9061","0.0008","90","","90","","90","","4515.1","0.7","298","2","298","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C24 H12 Cl2 Hg N4 O4 -","- C24 H12 Cl2 Hg N4 O4 -","- C192 H96 Cl16 Hg8 N32 O32 -","8","0.5","","Ma, Qi; Zhu, Miaoli; Yuan, Caixia; Feng, Sisi; Lu, Liping; Wang, Qingming","A Molecular Helix: Self-Assembly of Coordination Polymers from d10Metal Ions and 1,10-Phenanthroline-5,6-dione (pdon) with the Bridges of SCN−and Cl−Anions","Crystal Growth & Design","2010","10","4","1706","","10.1021/cg901297y","","","0.71073","MoKα","","0.038","0.0296","","","0.0663","0.0701","","","","","","1.076","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502497","11.1626","0.0015","8.0501","0.0012","15.18","0.0018","90","","107.706","0.002","90","","1299.5","0.3","298","2","298","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C26 H12 Mn N6 O4 S2 -","- C26 H12 Mn N6 O4 S2 -","- C52 H24 Mn2 N12 O8 S4 -","2","1","","Ma, Qi; Zhu, Miaoli; Yuan, Caixia; Feng, Sisi; Lu, Liping; Wang, Qingming","A Molecular Helix: Self-Assembly of Coordination Polymers from d10Metal Ions and 1,10-Phenanthroline-5,6-dione (pdon) with the Bridges of SCN−and Cl−Anions","Crystal Growth & Design","2010","10","4","1706","","10.1021/cg901297y","","","0.71073","MoKα","","0.0802","0.0539","","","0.1257","0.1367","","","","","","0.923","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502498","11.991","0.003","15.163","0.004","15.718","0.004","90","","90","","90","","2857.8","1.3","223","2","223","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C50 H56 Br2 K2 N20 O17 -","- C50 H46 Br2 K2 N20 O17 -","- C100 H92 Br4 K4 N40 O34 -","2","0.5","","Feng, Xing; Du, Hao; Chen, Kai; Xiao, Xin; Luo, Shi-Xia; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu; Zhang, Xiao-Yi; Wei, Gang","Design and Synthesis of Self-assembly Supramolecular Entities Based on Noncovalent Interaction of Cucurbit[5]uril, Metal Ions, and Hydroxybenzene or Its Derivatives","Crystal Growth & Design","2010","10","7","2901","","10.1021/cg901309b","","","0.71073","MoKα","","0.1003","0.06","","","0.1527","0.1838","","","","","","1.022","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502499","15.898","0.003","11.92","0.003","15.222","0.003","90","","90","","90","","2884.6","1.1","223","2","223","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C50 H56 K2 N22 O23 -","- C50 H46 K2 N22 O23 -","- C100 H92 K4 N44 O46 -","2","0.5","","Feng, Xing; Du, Hao; Chen, Kai; Xiao, Xin; Luo, Shi-Xia; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu; Zhang, Xiao-Yi; Wei, Gang","Design and Synthesis of Self-assembly Supramolecular Entities Based on Noncovalent Interaction of Cucurbit[5]uril, Metal Ions, and Hydroxybenzene or Its Derivatives","Crystal Growth & Design","2010","10","7","2901","","10.1021/cg901309b","","","0.71073","MoKα","","0.0808","0.06","","","0.1648","0.1828","","","","","","1.051","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502500","11.884","0.002","15.928","0.003","29.774","0.005","90","","90","","90","","5635.9","1.7","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H58 K2 N22 O24 -","- C46 H54 K2 N22 O24 -","- C184 H216 K8 N88 O96 -","4","1","","Feng, Xing; Du, Hao; Chen, Kai; Xiao, Xin; Luo, Shi-Xia; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu; Zhang, Xiao-Yi; Wei, Gang","Design and Synthesis of Self-assembly Supramolecular Entities Based on Noncovalent Interaction of Cucurbit[5]uril, Metal Ions, and Hydroxybenzene or Its Derivatives","Crystal Growth & Design","2010","10","7","2901","","10.1021/cg901309b","","","0.71073","MoKα","","0.0773","0.056","","","0.1348","0.1475","","","","","","1.052","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502501","12.0852","0.0006","13.9747","0.0007","15.8477","0.0008","90","","90","","90","","2676.5","0.2","223","2","223","2","","","","","","","","6","P 21 2 21","P 2ac 2ac","18","","","","- C42 H52 I2 K2 N20 O19 -","- C42 H42 I2 K2 N20 O19 -","- C84 H84 I4 K4 N40 O38 -","2","0.5","","Feng, Xing; Du, Hao; Chen, Kai; Xiao, Xin; Luo, Shi-Xia; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu; Zhang, Xiao-Yi; Wei, Gang","Design and Synthesis of Self-assembly Supramolecular Entities Based on Noncovalent Interaction of Cucurbit[5]uril, Metal Ions, and Hydroxybenzene or Its Derivatives","Crystal Growth & Design","2010","10","7","2901","","10.1021/cg901309b","","","0.71073","MoKα","","0.0409","0.0329","","","0.0725","0.0764","","","","","","1.047","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502502","11.8668","0.0009","15.804","0.0011","30.323","0.002","90","","90","","90","","5686.9","0.7","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H62 Br2 K2 N20 O24 -","- C42 H54 Br2 K2 N20 O24 -","- C168 H216 Br8 K8 N80 O96 -","4","1","","Feng, Xing; Du, Hao; Chen, Kai; Xiao, Xin; Luo, Shi-Xia; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu; Zhang, Xiao-Yi; Wei, Gang","Design and Synthesis of Self-assembly Supramolecular Entities Based on Noncovalent Interaction of Cucurbit[5]uril, Metal Ions, and Hydroxybenzene or Its Derivatives","Crystal Growth & Design","2010","10","7","2901","","10.1021/cg901309b","","","0.71073","MoKα","","0.0696","0.0514","","","0.1316","0.1445","","","","","","1.024","","","","has coordinates,has disorder","179556","2020-10-21","18:00:00",""
"4502503","11.997","0.003","16.249","0.004","14.099","0.003","90","","91.711","0.003","90","","2747.2","1.1","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H56 K2 N22 O27 -","- C42 H46 K2 N22 O27 -","- C84 H92 K4 N44 O54 -","2","1","","Feng, Xing; Du, Hao; Chen, Kai; Xiao, Xin; Luo, Shi-Xia; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu; Zhang, Xiao-Yi; Wei, Gang","Design and Synthesis of Self-assembly Supramolecular Entities Based on Noncovalent Interaction of Cucurbit[5]uril, Metal Ions, and Hydroxybenzene or Its Derivatives","Crystal Growth & Design","2010","10","7","2901","","10.1021/cg901309b","","","0.71073","MoKα","","0.0544","0.0456","","","0.1148","0.1214","","","","","","1.033","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502504","15.692","0.002","11.9459","0.0017","14.805","0.002","90","","90","","90","","2775.3","0.6","223","2","223","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C42 H56 I2 K2 N20 O21 -","- C42 H42 I2 K2 N20 O21 -","- C84 H84 I4 K4 N40 O42 -","2","0.5","","Feng, Xing; Du, Hao; Chen, Kai; Xiao, Xin; Luo, Shi-Xia; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu; Zhang, Xiao-Yi; Wei, Gang","Design and Synthesis of Self-assembly Supramolecular Entities Based on Noncovalent Interaction of Cucurbit[5]uril, Metal Ions, and Hydroxybenzene or Its Derivatives","Crystal Growth & Design","2010","10","7","2901","","10.1021/cg901309b","","","0.71073","MoKα","","0.0302","0.0265","","","0.065","0.0665","","","","","","1.067","","","","has coordinates,has disorder","179556","2020-10-21","18:00:00",""
"4502505","11.85","0.002","29.48","0.006","16.069","0.003","90","","90","","90","","5613.5","1.8","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H58 K2 N22 O26 -","- C42 H50 K2 N22 O26 -","- C168 H200 K8 N88 O104 -","4","1","","Feng, Xing; Du, Hao; Chen, Kai; Xiao, Xin; Luo, Shi-Xia; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu; Zhang, Xiao-Yi; Wei, Gang","Design and Synthesis of Self-assembly Supramolecular Entities Based on Noncovalent Interaction of Cucurbit[5]uril, Metal Ions, and Hydroxybenzene or Its Derivatives","Crystal Growth & Design","2010","10","7","2901","","10.1021/cg901309b","","","0.71073","MoKα","","0.078","0.0594","","","0.1359","0.1456","","","","","","0.987","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502506","11.9647","0.0015","15.107","0.0018","26.637","0.003","90","","90","","90","","4814.7","1","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 I2 K2 N20 O19 -","- C30 H30 I2 K2 N20 O19 -","- C120 H120 I8 K8 N80 O76 -","4","1","","Feng, Xing; Du, Hao; Chen, Kai; Xiao, Xin; Luo, Shi-Xia; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu; Zhang, Xiao-Yi; Wei, Gang","Design and Synthesis of Self-assembly Supramolecular Entities Based on Noncovalent Interaction of Cucurbit[5]uril, Metal Ions, and Hydroxybenzene or Its Derivatives","Crystal Growth & Design","2010","10","7","2901","","10.1021/cg901309b","","","0.71073","MoKα","","0.0634","0.0444","","","0.1154","0.1272","","","","","","1.022","","","","has coordinates,has disorder","179556","2020-10-21","18:00:00",""
"4502507","33.3586","0.0018","33.3586","0.0018","67.839","0.005","90","","90","","120","","65377","7","113","2","113","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C1548 H2396 O756 S234 Zn98 -","- C1188 H864 O372 S54 Zn98 -","- C1188 H864 O372 S54 Zn98 -","1","0.0833333","","Yue, Qi; Sun, Qian; Cheng, Ai-Ling; Gao, En-Qing","Metal−Organic Framework Based on [Zn4O(COO)6] Clusters: Rare 3D Kagomé Topology and Luminescence","Crystal Growth & Design","2010","10","1","44","","10.1021/cg901312t","","","0.71073","MoKα","","0.1966","0.1195","","","0.3079","0.3652","","","","","","1.006","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502508","8.324","0.0002","8.324","0.0002","45.18","0.0018","90","","90","","120","","2711.07","0.14","223","2","223","2","","","","","","","","6","P 65","P 65","170","","","","- C15 H13 Cl2 Cu N7 O -","- C15 H13 Cl2 Cu N7 O -","- C90 H78 Cl12 Cu6 N42 O6 -","6","1","","Bai, Shi-Qiang; Leelasubcharoen, Somying; Chen, Xin; Koh, Lip Lin; Zuo, Jing-Lin; Hor, T. S. Andy","Crystallographic Elucidation of Chiral and Helical Cu(II) Polymers Assembled from a Heterodifunctional 1,2,3-Triazole Ligand†","Crystal Growth & Design","2010","10","4","1715","","10.1021/cg901327m","","","0.71073","MoKα","","0.0451","0.0437","","","0.1037","0.1043","","","","","","1.197","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502509","16.2227","0.0007","7.6442","0.0003","14.5166","0.0006","90","","98.646","0.001","90","","1779.74","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Cl2 Cu N7 O2 -","- C15 H15 Cl2 Cu N7 O2 -","- C60 H60 Cl8 Cu4 N28 O8 -","4","1","","Bai, Shi-Qiang; Leelasubcharoen, Somying; Chen, Xin; Koh, Lip Lin; Zuo, Jing-Lin; Hor, T. S. Andy","Crystallographic Elucidation of Chiral and Helical Cu(II) Polymers Assembled from a Heterodifunctional 1,2,3-Triazole Ligand†","Crystal Growth & Design","2010","10","4","1715","","10.1021/cg901327m","","","0.71073","MoKα","","0.0276","0.0266","","","0.0703","0.0708","","","","","","1.059","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502510","16.1956","0.0011","8.0533","0.0005","14.7916","0.0009","90","","97.113","0.001","90","","1914.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Br2 Cu N7 O2 -","- C16 H17 Br2 Cu N7 O2 -","- C64 H68 Br8 Cu4 N28 O8 -","4","1","","Bai, Shi-Qiang; Leelasubcharoen, Somying; Chen, Xin; Koh, Lip Lin; Zuo, Jing-Lin; Hor, T. S. Andy","Crystallographic Elucidation of Chiral and Helical Cu(II) Polymers Assembled from a Heterodifunctional 1,2,3-Triazole Ligand†","Crystal Growth & Design","2010","10","4","1715","","10.1021/cg901327m","","","0.71073","MoKα","","0.0573","0.0488","","","0.1245","0.1307","","","","","","1.009","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502511","8.9788","0.0004","26.4168","0.0012","9.2739","0.0004","90","","95.082","0.004","90","","2191.04","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H30 N8 O5 -","- C17 H30 N8 O5 -","- C68 H120 N32 O20 -","4","1","","Bai, Hong-Ye; Ma, Jian-Fang; Yang, Jin; Liu, Ying-Ying; Hua-Wu,; Ma, Ji-Cheng","Effect of Anions on the Self-Assembly of Cd(II)-Containing Coordination Polymers Based on a Novel Flexible Tetrakis(imidazole) Ligand","Crystal Growth & Design","2010","10","2","995","","10.1021/cg901332m","","","0.71073","MoKα","","0.0929","0.0377","","","0.0572","0.0615","","","","","","0.975","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502512","10.6142","0.0003","13.2044","0.0004","16.2359","0.0005","99.496","0.002","97.491","0.002","92.382","0.002","2220.56","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H52 Cd2 N16 O14 S2 -","- C34 H52 Cd2 N16 O14 S2 -","- C68 H104 Cd4 N32 O28 S4 -","2","1","","Bai, Hong-Ye; Ma, Jian-Fang; Yang, Jin; Liu, Ying-Ying; Hua-Wu,; Ma, Ji-Cheng","Effect of Anions on the Self-Assembly of Cd(II)-Containing Coordination Polymers Based on a Novel Flexible Tetrakis(imidazole) Ligand","Crystal Growth & Design","2010","10","2","995","","10.1021/cg901332m","","","0.71073","MoKα","","0.0385","0.0274","","","0.0666","0.0696","","","","","","0.99","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502513","12.508","0.0006","12.754","0.0007","15.265","0.0007","90","","104.782","0.005","90","","2354.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 Cd N10 O8 -","- C17 H24 Cd N10 O8 -","- C68 H96 Cd4 N40 O32 -","4","1","","Bai, Hong-Ye; Ma, Jian-Fang; Yang, Jin; Liu, Ying-Ying; Hua-Wu,; Ma, Ji-Cheng","Effect of Anions on the Self-Assembly of Cd(II)-Containing Coordination Polymers Based on a Novel Flexible Tetrakis(imidazole) Ligand","Crystal Growth & Design","2010","10","2","995","","10.1021/cg901332m","","","0.71073","MoKα","","0.0707","0.0359","","","0.0598","0.0651","","","","","","0.854","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502514","13.1713","0.0006","12.543","0.0004","14.3799","0.0008","90","","110.601","0.006","90","","2223.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 Br2 Cd N8 O -","- C17 H20 Br2 Cd N8 O -","- C68 H80 Br8 Cd4 N32 O4 -","4","1","","Bai, Hong-Ye; Ma, Jian-Fang; Yang, Jin; Liu, Ying-Ying; Hua-Wu,; Ma, Ji-Cheng","Effect of Anions on the Self-Assembly of Cd(II)-Containing Coordination Polymers Based on a Novel Flexible Tetrakis(imidazole) Ligand","Crystal Growth & Design","2010","10","2","995","","10.1021/cg901332m","","","0.71073","MoKα","","0.1056","0.0433","","","0.0999","0.1094","","","","","","0.806","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502515","12.7255","0.0004","16.5613","0.0006","14.1515","0.0006","90","","90","","90","","2982.44","0.19","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C12.5 H12 Cd N4 O4 -","- C12.5 H2 Cd N4 O4 -","- C100 H16 Cd8 N32 O32 -","8","","","Bai, Hong-Ye; Ma, Jian-Fang; Yang, Jin; Liu, Ying-Ying; Hua-Wu,; Ma, Ji-Cheng","Effect of Anions on the Self-Assembly of Cd(II)-Containing Coordination Polymers Based on a Novel Flexible Tetrakis(imidazole) Ligand","Crystal Growth & Design","2010","10","2","995","","10.1021/cg901332m","","","0.71073","MoKα","","0.0884","0.067","","","0.1862","0.1949","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502516","42.4374","0.0012","10.5633","0.0003","18.6767","0.0004","90","","112.985","0.002","90","","7707.7","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H88 Cd5 N16 O26 -","- C64 H88 Cd5 N16 O26 -","- C256 H352 Cd20 N64 O104 -","4","0.5","","Bai, Hong-Ye; Ma, Jian-Fang; Yang, Jin; Liu, Ying-Ying; Hua-Wu,; Ma, Ji-Cheng","Effect of Anions on the Self-Assembly of Cd(II)-Containing Coordination Polymers Based on a Novel Flexible Tetrakis(imidazole) Ligand","Crystal Growth & Design","2010","10","2","995","","10.1021/cg901332m","","","0.71073","MoKα","","0.0613","0.0347","","","0.081","0.0867","","","","","","0.955","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502517","18.256","0.0007","9.069","0.0004","19.092","0.0007","90","","90.3","0.004","90","","3160.9","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H14 Cd N4 O4 -","- C16.5 H14 Cd N4 O4 -","- C132 H112 Cd8 N32 O32 -","8","1","","Bai, Hong-Ye; Ma, Jian-Fang; Yang, Jin; Liu, Ying-Ying; Hua-Wu,; Ma, Ji-Cheng","Effect of Anions on the Self-Assembly of Cd(II)-Containing Coordination Polymers Based on a Novel Flexible Tetrakis(imidazole) Ligand","Crystal Growth & Design","2010","10","2","995","","10.1021/cg901332m","","","0.71073","MoKα","","0.0346","0.0232","","","0.049","0.0512","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502518","22.605","0.008","11.491","0.0018","17.511","0.012","90","","124.65","0.014","90","","3742","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H18 Cd N4 O6 -","- C16.5 H18 Cd N4 O6 -","- C132 H144 Cd8 N32 O48 -","8","1","","Bai, Hong-Ye; Ma, Jian-Fang; Yang, Jin; Liu, Ying-Ying; Hua-Wu,; Ma, Ji-Cheng","Effect of Anions on the Self-Assembly of Cd(II)-Containing Coordination Polymers Based on a Novel Flexible Tetrakis(imidazole) Ligand","Crystal Growth & Design","2010","10","2","995","","10.1021/cg901332m","","","0.71073","MoKα","","0.098","0.0417","","","0.0563","0.0615","","","","","","0.836","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502519","10.135","0.0005","10.442","0.0005","18.902","0.0009","96.182","0.004","90.401","0.004","117.53","0.004","1759.91","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H25 Cd2 N8 O12 -","- C33 H25 Cd2 N8 O12 -","- C66 H50 Cd4 N16 O24 -","2","1","","Bai, Hong-Ye; Ma, Jian-Fang; Yang, Jin; Liu, Ying-Ying; Hua-Wu,; Ma, Ji-Cheng","Effect of Anions on the Self-Assembly of Cd(II)-Containing Coordination Polymers Based on a Novel Flexible Tetrakis(imidazole) Ligand","Crystal Growth & Design","2010","10","2","995","","10.1021/cg901332m","","","0.71069","MoKα","","0.069","0.0359","","","0.0701","0.0748","","","","","","0.852","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502520","10.2268","0.0004","23.7126","0.0011","17.4281","0.0008","90","","105.803","0.005","90","","4066.6","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H32 Cd3 N8 O16 -","- C35 H6 Cd3 N8 O16 -","- C140 H24 Cd12 N32 O64 -","4","0.5","","Bai, Hong-Ye; Ma, Jian-Fang; Yang, Jin; Liu, Ying-Ying; Hua-Wu,; Ma, Ji-Cheng","Effect of Anions on the Self-Assembly of Cd(II)-Containing Coordination Polymers Based on a Novel Flexible Tetrakis(imidazole) Ligand","Crystal Growth & Design","2010","10","2","995","","10.1021/cg901332m","","","0.71073","MoKα","","0.0573","0.0365","","","0.0822","0.0864","","","","","","0.965","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502521","18.458","0.004","9.1264","0.0013","12.181","0.002","90","","108.88","0.02","90","","1941.6","0.6","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C35 H27 Cd3 N8 O16.5 -","- C35 H26 Cd3 N8 O16.5 -","- C70 H52 Cd6 N16 O33 -","2","0.5","","Bai, Hong-Ye; Ma, Jian-Fang; Yang, Jin; Liu, Ying-Ying; Hua-Wu,; Ma, Ji-Cheng","Effect of Anions on the Self-Assembly of Cd(II)-Containing Coordination Polymers Based on a Novel Flexible Tetrakis(imidazole) Ligand","Crystal Growth & Design","2010","10","2","995","","10.1021/cg901332m","","","0.71073","MoKα","","0.0401","0.0317","","","0.0629","0.0653","","","","","","0.967","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502522","12.0208","0.0005","17.8086","0.0008","24.6623","0.0012","90","","91.135","0.004","90","","5278.5","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H25.5 Cd N8 O6.75 -","- C26 H25.5 Cd N8 O6.75 -","- C208 H204 Cd8 N64 O54 -","8","1","","Bai, Hong-Ye; Ma, Jian-Fang; Yang, Jin; Liu, Ying-Ying; Hua-Wu,; Ma, Ji-Cheng","Effect of Anions on the Self-Assembly of Cd(II)-Containing Coordination Polymers Based on a Novel Flexible Tetrakis(imidazole) Ligand","Crystal Growth & Design","2010","10","2","995","","10.1021/cg901332m","","","0.71073","MoKα","","0.0858","0.0361","","","0.044","0.0484","","","","","","0.74","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502523","7.509","0.005","11.881","0.005","20.942","0.005","96.623","0.005","92.474","0.005","102.015","0.005","1810.9","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H64 Cd7 N16 O34 -","- C64 H64 Cd7 N16 O34 -","- C64 H64 Cd7 N16 O34 -","1","0.5","","Bai, Hong-Ye; Ma, Jian-Fang; Yang, Jin; Liu, Ying-Ying; Hua-Wu,; Ma, Ji-Cheng","Effect of Anions on the Self-Assembly of Cd(II)-Containing Coordination Polymers Based on a Novel Flexible Tetrakis(imidazole) Ligand","Crystal Growth & Design","2010","10","2","995","","10.1021/cg901332m","","","0.71073","MoKα","","0.0591","0.0303","","","0.037","0.0394","","","","","","0.755","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502524","18.61","0.005","9.177","0.005","19.948","0.005","90","","98.146","0.005","90","","3372","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 Cd2 N8 O12 -","- C33 H28 Cd2 N8 O12 -","- C132 H112 Cd8 N32 O48 -","4","1","","Bai, Hong-Ye; Ma, Jian-Fang; Yang, Jin; Liu, Ying-Ying; Hua-Wu,; Ma, Ji-Cheng","Effect of Anions on the Self-Assembly of Cd(II)-Containing Coordination Polymers Based on a Novel Flexible Tetrakis(imidazole) Ligand","Crystal Growth & Design","2010","10","2","995","","10.1021/cg901332m","","","0.71073","MoKα","","0.0392","0.0257","","","0.0573","0.0596","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502525","16.962","0.003","17.995","0.004","15.2","0.003","90","","107.7","0.03","90","","4419.9","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H48 Ag2 Cl2 O12 S4 -","- C40 H48 Ag2 Cl2 O12 S4 -","- C160 H192 Ag8 Cl8 O48 S16 -","4","1","","Lee, So Young; Jung, Jong Hwa; Vittal, Jagadese J.; Lee, Shim Sung","Solvent-Dependent Networking of O2S2-Macrocycle with Silver Perchlorate into One- and Two-Dimensional Coordination Polymers","Crystal Growth & Design","2010","10","3","1033","","10.1021/cg901335w","","","0.71073","synchrotron","","0.1143","0.0612","","","0.122","0.1469","","","","","","1.036","","","","has coordinates,has disorder","179556","2020-10-21","18:00:00",""
"4502526","11.8553","0.0012","16.4496","0.0016","12.002","0.0013","90","","97.55","0.005","90","","2320.3","0.4","173","2","173","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C42 H51 Ag2 Cl2 N O12 S4 -","- C42 H51 Ag2 Cl2 N O12 S4 -","- C84 H102 Ag4 Cl4 N2 O24 S8 -","2","1","","Lee, So Young; Jung, Jong Hwa; Vittal, Jagadese J.; Lee, Shim Sung","Solvent-Dependent Networking of O2S2-Macrocycle with Silver Perchlorate into One- and Two-Dimensional Coordination Polymers","Crystal Growth & Design","2010","10","3","1033","","10.1021/cg901335w","","","0.71073","MoKα","","0.0342","0.0337","","","0.0922","0.0928","","","","","","1.032","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502527","9.369","0.0019","15.945","0.003","14.991","0.003","90","","92.51","0.03","90","","2237.3","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Ag Cl O6 S2 -","- C20 H24 Ag Cl O6 S2 -","- C80 H96 Ag4 Cl4 O24 S8 -","4","1","","Lee, So Young; Jung, Jong Hwa; Vittal, Jagadese J.; Lee, Shim Sung","Solvent-Dependent Networking of O2S2-Macrocycle with Silver Perchlorate into One- and Two-Dimensional Coordination Polymers","Crystal Growth & Design","2010","10","3","1033","","10.1021/cg901335w","","","0.71073","synchrotron","","0.0619","0.0567","","","0.1609","0.167","","","","","","1.06","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502528","8.34","0.0008","9.4598","0.0009","17.8056","0.0017","90","","90","","90","","1404.8","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H6 N12 Zn -","- C10 H6 N12 Zn -","- C40 H24 N48 Zn4 -","4","0.5","","Zhang, Jian-Yong; Cheng, Ai-Ling; Sun, Qian; Yue, Qi; Gao, En-Qing","Syntheses, Structures, and Properties of Honeycomb and Square Grid Coordination Polymers with In Situ Formed 5-(2′-Pyrimidyl)tetrazolate","Crystal Growth & Design","2010","10","7","2908","","10.1021/cg9013398","","","0.71073","MoKα","","0.0453","0.0284","","","0.0712","0.0801","","","","","","1.027","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502529","10.4655","0.0006","10.4655","0.0004","14.02","0.002","90","","90","","120","0.01","1329.8","0.2","296","2","296","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C17 H15.66 N18.67 Na O1.66 Zn -","- C15 H9 N18 Na Zn -","- C30 H18 N36 Na2 Zn2 -","2","0.166667","","Zhang, Jian-Yong; Cheng, Ai-Ling; Sun, Qian; Yue, Qi; Gao, En-Qing","Syntheses, Structures, and Properties of Honeycomb and Square Grid Coordination Polymers with In Situ Formed 5-(2′-Pyrimidyl)tetrazolate","Crystal Growth & Design","2010","10","7","2908","","10.1021/cg9013398","","","0.71073","MoKα","","0.0399","0.0367","","","0.1146","0.1158","","","","","","1.258","","","","has coordinates,has disorder","179556","2020-10-21","18:00:00",""
"4502530","10.8014","0.0005","10.8014","0.0005","13.6319","0.0012","90","","90","","120","","1377.36","0.15","296","2","296","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C18 H17 Cd N19 Na O1.5 -","- C15 H9 Cd N18 Na -","- C30 H18 Cd2 N36 Na2 -","2","0.166667","","Zhang, Jian-Yong; Cheng, Ai-Ling; Sun, Qian; Yue, Qi; Gao, En-Qing","Syntheses, Structures, and Properties of Honeycomb and Square Grid Coordination Polymers with In Situ Formed 5-(2′-Pyrimidyl)tetrazolate","Crystal Growth & Design","2010","10","7","2908","","10.1021/cg9013398","","","0.71073","MoKα","","0.057","0.055","","","0.1899","0.1918","","","","","","1.188","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4502531","10.64","0.0012","10.64","0.0012","13.795","0.003","90","","90","","120","","1352.5","0.4","296","2","296","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C18 H16 Mn N19 Na O -","- C15 H9 Mn N18 Na -","- C30 H18 Mn2 N36 Na2 -","2","0.166667","","Zhang, Jian-Yong; Cheng, Ai-Ling; Sun, Qian; Yue, Qi; Gao, En-Qing","Syntheses, Structures, and Properties of Honeycomb and Square Grid Coordination Polymers with In Situ Formed 5-(2′-Pyrimidyl)tetrazolate","Crystal Growth & Design","2010","10","7","2908","","10.1021/cg9013398","","","0.71073","MoKα","","0.0934","0.0874","","","0.2544","0.2609","","","","","","1.172","","","","has coordinates,has disorder","179556","2020-10-21","18:00:00",""
"4502532","10.4089","0.0015","10.4089","0.0015","14.028","0.003","90","","90","","120","","1316.2","0.4","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C18 H16 Co N19 Na O -","- C15 H9 Co N18 Na -","- C30 H18 Co2 N36 Na2 -","2","0.166667","","Zhang, Jian-Yong; Cheng, Ai-Ling; Sun, Qian; Yue, Qi; Gao, En-Qing","Syntheses, Structures, and Properties of Honeycomb and Square Grid Coordination Polymers with In Situ Formed 5-(2′-Pyrimidyl)tetrazolate","Crystal Growth & Design","2010","10","7","2908","","10.1021/cg9013398","","","0.71073","MoKα","","0.0562","0.0453","","","0.1189","0.1242","","","","","","1.05","","","","has coordinates,has disorder","179556","2020-10-21","18:00:00",""
"4502533","10.3189","0.0006","10.3189","0.0006","14.0839","0.0016","90","","90","","120","","1298.73","0.18","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C18 H17 N19 Na Ni O1.5 -","- C15 H9 N18 Na Ni -","- C30 H18 N36 Na2 Ni2 -","2","0.166667","","Zhang, Jian-Yong; Cheng, Ai-Ling; Sun, Qian; Yue, Qi; Gao, En-Qing","Syntheses, Structures, and Properties of Honeycomb and Square Grid Coordination Polymers with In Situ Formed 5-(2′-Pyrimidyl)tetrazolate","Crystal Growth & Design","2010","10","7","2908","","10.1021/cg9013398","","","0.71073","MoKα","","0.0376","0.0348","","","0.0916","0.0926","","","","","","1.11","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4502534","6.469","0.0003","6.469","0.0003","32.806","0.003","90","","90","","90","","1372.86","0.15","273","2","273","2","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","","","- C10 H6 Cd N12 -","- C10 H6 Cd N12 -","- C40 H24 Cd4 N48 -","4","0.125","","Zhang, Jian-Yong; Cheng, Ai-Ling; Sun, Qian; Yue, Qi; Gao, En-Qing","Syntheses, Structures, and Properties of Honeycomb and Square Grid Coordination Polymers with In Situ Formed 5-(2′-Pyrimidyl)tetrazolate","Crystal Growth & Design","2010","10","7","2908","","10.1021/cg9013398","","","0.71073","MoKα","","0.0146","0.0143","","","0.0345","0.0347","","","","","","1.161","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502535","6.2726","0.0002","7.273","0.0002","16.4002","0.0005","98.43","0.002","94.791","0.002","95.896","0.002","732.48","0.04","225","2","225","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H16 N2 O6 -","- C15 H16 N2 O6 -","- C30 H32 N4 O12 -","2","1","","Clarke, Heather D.; Arora, Kapildev K.; Bass, Heather; Kavuru, Padmini; Ong, Tien Teng; Pujari, Twarita; Wojtas, Lukasz; Zaworotko, Michael J.","Structure−Stability Relationships in Cocrystal Hydrates: Does the Promiscuity of Water Make Crystalline Hydrates the Nemesis of Crystal Engineering?","Crystal Growth & Design","2010","10","5","2152","","10.1021/cg901345u","","","1.54178","CuKα","","0.0387","0.0342","","","0.0934","0.0967","","","","","","1.05","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502536","9.705","0.003","10.926","0.005","11.469","0.007","104.74","0.03","95.68","0.03","113.8","0.03","1047.8","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 N4 O11 -","- C22 H18 N4 O11 -","- C44 H36 N8 O22 -","2","1","","Clarke, Heather D.; Arora, Kapildev K.; Bass, Heather; Kavuru, Padmini; Ong, Tien Teng; Pujari, Twarita; Wojtas, Lukasz; Zaworotko, Michael J.","Structure−Stability Relationships in Cocrystal Hydrates: Does the Promiscuity of Water Make Crystalline Hydrates the Nemesis of Crystal Engineering?","Crystal Growth & Design","2010","10","5","2152","","10.1021/cg901345u","","","1.54178","CuKα","","0.0846","0.0549","","","0.138","0.1543","","","","","","1.013","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502537","3.6207","0.0002","12.4908","0.0006","13.5227","0.0006","72.641","0.003","89.258","0.003","83.979","0.003","580.39","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19.32 N4 O11.68 -","- C26 H19.32 N4 O11.68 -","- C26 H19.32 N4 O11.68 -","1","0.5","","Clarke, Heather D.; Arora, Kapildev K.; Bass, Heather; Kavuru, Padmini; Ong, Tien Teng; Pujari, Twarita; Wojtas, Lukasz; Zaworotko, Michael J.","Structure−Stability Relationships in Cocrystal Hydrates: Does the Promiscuity of Water Make Crystalline Hydrates the Nemesis of Crystal Engineering?","Crystal Growth & Design","2010","10","5","2152","","10.1021/cg901345u","","","1.54178","CuKα","","0.0603","0.0439","","","0.1093","0.117","","","","","","1.037","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502538","6.9389","0.0002","33.46","0.001","7.3179","0.0003","90","","116.652","0.002","90","","1518.51","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N2 O6 -","- C16 H18 N2 O6 -","- C64 H72 N8 O24 -","4","1","","Clarke, Heather D.; Arora, Kapildev K.; Bass, Heather; Kavuru, Padmini; Ong, Tien Teng; Pujari, Twarita; Wojtas, Lukasz; Zaworotko, Michael J.","Structure−Stability Relationships in Cocrystal Hydrates: Does the Promiscuity of Water Make Crystalline Hydrates the Nemesis of Crystal Engineering?","Crystal Growth & Design","2010","10","5","2152","","10.1021/cg901345u","","","1.54178","CuKα","","0.0396","0.0336","","","0.0878","0.091","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502539","19.966","0.004","15.8","0.003","13.111","0.003","90","","130.78","0.003","90","","3131.9","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H17 N4 O7.5 -","- C15 H17 N4 O7.5 -","- C120 H136 N32 O60 -","8","1","","Clarke, Heather D.; Arora, Kapildev K.; Bass, Heather; Kavuru, Padmini; Ong, Tien Teng; Pujari, Twarita; Wojtas, Lukasz; Zaworotko, Michael J.","Structure−Stability Relationships in Cocrystal Hydrates: Does the Promiscuity of Water Make Crystalline Hydrates the Nemesis of Crystal Engineering?","Crystal Growth & Design","2010","10","5","2152","","10.1021/cg901345u","","","0.71073","MoKα","","0.0447","0.0383","","","0.1031","0.1075","","","","","","1.044","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502540","17.448","0.001","3.7095","0.0004","20.134","0.004","90","","96.567","0.005","90","","1294.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 N2 O7 -","- C13 H14 N2 O7 -","- C52 H56 N8 O28 -","4","1","","Clarke, Heather D.; Arora, Kapildev K.; Bass, Heather; Kavuru, Padmini; Ong, Tien Teng; Pujari, Twarita; Wojtas, Lukasz; Zaworotko, Michael J.","Structure−Stability Relationships in Cocrystal Hydrates: Does the Promiscuity of Water Make Crystalline Hydrates the Nemesis of Crystal Engineering?","Crystal Growth & Design","2010","10","5","2152","","10.1021/cg901345u","","","1.54178","CuKα","","0.0497","0.0376","","","0.0942","0.0994","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502541","3.7606","0.0001","15.2613","0.0003","22.7185","0.0004","90","","90","","90","","1303.85","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13.5 N2 O6.75 -","- C13 H13.5 N2 O6.75 -","- C52 H54 N8 O27 -","4","1","","Clarke, Heather D.; Arora, Kapildev K.; Bass, Heather; Kavuru, Padmini; Ong, Tien Teng; Pujari, Twarita; Wojtas, Lukasz; Zaworotko, Michael J.","Structure−Stability Relationships in Cocrystal Hydrates: Does the Promiscuity of Water Make Crystalline Hydrates the Nemesis of Crystal Engineering?","Crystal Growth & Design","2010","10","5","2152","","10.1021/cg901345u","","","1.54178","CuKα","","0.036","0.0323","","","0.0815","0.0834","","","","","","1.085","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502542","27.737","0.009","6.664","0.003","17.345","0.008","90","","92.962","0.009","90","","3202","2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 N4 O9 -","- C14 H18 N4 O9 -","- C112 H144 N32 O72 -","8","1","","Clarke, Heather D.; Arora, Kapildev K.; Bass, Heather; Kavuru, Padmini; Ong, Tien Teng; Pujari, Twarita; Wojtas, Lukasz; Zaworotko, Michael J.","Structure−Stability Relationships in Cocrystal Hydrates: Does the Promiscuity of Water Make Crystalline Hydrates the Nemesis of Crystal Engineering?","Crystal Growth & Design","2010","10","5","2152","","10.1021/cg901345u","","","0.71073","MoKα","","0.0705","0.0563","","","0.1383","0.1463","","","","","","1.076","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502543","7.31","0.0001","9.3156","0.0002","13.5309","0.0003","74.573","0.001","87.442","0.001","73.856","0.001","852.76","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H16 Cl N5 O6 S2 -","- C13 H16 Cl N5 O6 S2 -","- C26 H32 Cl2 N10 O12 S4 -","2","1","","Clarke, Heather D.; Arora, Kapildev K.; Bass, Heather; Kavuru, Padmini; Ong, Tien Teng; Pujari, Twarita; Wojtas, Lukasz; Zaworotko, Michael J.","Structure−Stability Relationships in Cocrystal Hydrates: Does the Promiscuity of Water Make Crystalline Hydrates the Nemesis of Crystal Engineering?","Crystal Growth & Design","2010","10","5","2152","","10.1021/cg901345u","","","1.54178","CuKα","","0.0374","0.0349","","","0.0895","0.0915","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502544","7.0113","0.0003","11.2981","0.0004","14.9611","0.0006","106.545","0.002","101.826","0.003","94.794","0.003","1099.15","0.08","95","2","95","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N4 O11 -","- C22 H22 N4 O11 -","- C44 H44 N8 O22 -","2","1","","Clarke, Heather D.; Arora, Kapildev K.; Bass, Heather; Kavuru, Padmini; Ong, Tien Teng; Pujari, Twarita; Wojtas, Lukasz; Zaworotko, Michael J.","Structure−Stability Relationships in Cocrystal Hydrates: Does the Promiscuity of Water Make Crystalline Hydrates the Nemesis of Crystal Engineering?","Crystal Growth & Design","2010","10","5","2152","","10.1021/cg901345u","","","1.54178","CuKα","","0.0568","0.0429","","","0.1163","0.1255","","","","","","1.037","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502545","17.108","0.004","21.644","0.005","25.258","0.006","90","","90","","90","","9353","4","273","2","273","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C63 H57 N3 Na2 O19 Zn3 -","- C63 H57 N3 Na2 O19 Zn3 -","- C252 H228 N12 Na8 O76 Zn12 -","4","0.5","","Zou, Ruqiang; Abdel-Fattah, Amr I.; Xu, Hongwu; Burrell, Anthony K.; Larson, Toti E.; McCleskey, Thomas M.; Wei, Qiang; Janicke, Michael T.; Hickmott, Donald D.; Timofeeva, Tatiana V.; Zhao, Yusheng","Porous Metal−Organic Frameworks Containing Alkali-Bridged Two-Fold Interpenetration: Synthesis, Gas Adsorption, and Fluorescence Properties","Crystal Growth & Design","2010","10","3","1301","","10.1021/cg901347p","","","0.71073","MoKα","","0.1429","0.1181","","","0.3362","0.3532","","","","","","1.15","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502546","16.3656","0.0018","17.979","0.002","19.232","0.002","65.452","0.002","66.275","0.002","69.154","0.002","4589.7","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C73 H84 K3 N6 O22 Zn2 -","- C73 H31 K3 N6 O22 Zn2 -","- C146 H62 K6 N12 O44 Zn4 -","2","1","","Zou, Ruqiang; Abdel-Fattah, Amr I.; Xu, Hongwu; Burrell, Anthony K.; Larson, Toti E.; McCleskey, Thomas M.; Wei, Qiang; Janicke, Michael T.; Hickmott, Donald D.; Timofeeva, Tatiana V.; Zhao, Yusheng","Porous Metal−Organic Frameworks Containing Alkali-Bridged Two-Fold Interpenetration: Synthesis, Gas Adsorption, and Fluorescence Properties","Crystal Growth & Design","2010","10","3","1301","","10.1021/cg901347p","","","0.71073","MoKα","","0.139","0.0995","","","0.293","0.33","","","","","","1.068","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502547","17.108","0.004","21.644","0.005","25.258","0.006","90","","90","","90","","9353","4","273","2","273","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C54 H30 Na2 O13 Zn3 -","- C54 H30 Na2 O13 Zn3 -","- C216 H120 Na8 O52 Zn12 -","4","0.5","","Zou, Ruqiang; Abdel-Fattah, Amr I.; Xu, Hongwu; Burrell, Anthony K.; Larson, Toti E.; McCleskey, Thomas M.; Wei, Qiang; Janicke, Michael T.; Hickmott, Donald D.; Timofeeva, Tatiana V.; Zhao, Yusheng","Porous Metal−Organic Frameworks Containing Alkali-Bridged Two-Fold Interpenetration: Synthesis, Gas Adsorption, and Fluorescence Properties","Crystal Growth & Design","2010","10","3","1301","","10.1021/cg901347p","","","0.71073","MoKα","","0.0705","0.0519","","","0.1446","0.1503","","","","","","0.959","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502548","16.3656","0.0018","17.979","0.002","19.232","0.002","65.452","0.002","66.275","0.002","69.154","0.002","4589.7","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H31 K3 O14 Zn2 -","- C55 H31 K3 O14 Zn2 -","- C110 H62 K6 O28 Zn4 -","2","1","","Zou, Ruqiang; Abdel-Fattah, Amr I.; Xu, Hongwu; Burrell, Anthony K.; Larson, Toti E.; McCleskey, Thomas M.; Wei, Qiang; Janicke, Michael T.; Hickmott, Donald D.; Timofeeva, Tatiana V.; Zhao, Yusheng","Porous Metal−Organic Frameworks Containing Alkali-Bridged Two-Fold Interpenetration: Synthesis, Gas Adsorption, and Fluorescence Properties","Crystal Growth & Design","2010","10","3","1301","","10.1021/cg901347p","","","0.71073","MoKα","","0.0727","0.0521","","","0.1381","0.1451","","","","","","0.909","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502549","14.373","0.002","18.92","0.003","8.7804","0.0013","90","","90","","90","","2387.7","0.6","291","2","291","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C45 H56 N4 O14 Zn2 -","- C45 H56 N4 O14 Zn2 -","- C90 H112 N8 O28 Zn4 -","2","0.5","","Liang, Li-Li; Ren, Shi-Bin; Zhang, Jun; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Two Thermostable Three-Dimensional Homochiral Metal−Organic Polymers with Quartz Topology","Crystal Growth & Design","2010","10","3","1307","","10.1021/cg901353e","","","0.71073","MoKα","","0.0655","0.0543","","","0.108","0.1104","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502550","13.2749","0.0009","18.8649","0.0013","9.7598","0.0007","90","","90","","90","","2444.1","0.3","291","2","291","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C45 H56 Cd2 N4 O14 -","- C45 H56 Cd2 N4 O14 -","- C90 H112 Cd4 N8 O28 -","2","0.5","","Liang, Li-Li; Ren, Shi-Bin; Zhang, Jun; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Two Thermostable Three-Dimensional Homochiral Metal−Organic Polymers with Quartz Topology","Crystal Growth & Design","2010","10","3","1307","","10.1021/cg901353e","","","0.71073","MoKα","","0.0576","0.0513","","","0.1168","0.1183","","","","","","1.094","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502551","12.5895","0.0003","14.5373","0.0003","19.6811","0.0003","78.959","0.002","75.828","0.002","73.233","0.002","3315.41","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H81 Gd N O26 P S4 -","- C62 H81 Gd N O26 P S4 -","- C124 H162 Gd2 N2 O52 P2 S8 -","2","1","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","p-Sulfonatocalix[4]arene−Pyrrolidinium Complexation in Building Multicomponent Layered Arrays","Crystal Growth & Design","2010","10","3","1312","","10.1021/cg901354x","","","0.71073","MoKα","","0.0533","0.0336","","","0.0765","0.0798","","","","","","0.999","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502552","16.9108","0.0008","18.3084","0.0009","19.8976","0.001","106.555","0.004","100.355","0.004","115.038","0.005","5020.1","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C165 H200 Gd N O62 P4 S8 -","- C165 H140 Gd N O62 P4 S8 -","- C165 H140 Gd N O62 P4 S8 -","1","0.5","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","p-Sulfonatocalix[4]arene−Pyrrolidinium Complexation in Building Multicomponent Layered Arrays","Crystal Growth & Design","2010","10","3","1312","","10.1021/cg901354x","","","1.54178","CuKα","","0.1893","0.1405","","","0.3466","0.372","","","","","","1.038","","","","has coordinates,has disorder","179556","2020-10-21","18:00:00",""
"4502553","15.7145","0.0006","20.0041","0.0006","20.9917","0.0008","80.315","0.003","72.723","0.003","69.539","0.003","5888.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C125 H139 N O28 P4 S4 -","- C125 H139 N O28 P4 S4 -","- C250 H278 N2 O56 P8 S8 -","2","1","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","p-Sulfonatocalix[4]arene−Pyrrolidinium Complexation in Building Multicomponent Layered Arrays","Crystal Growth & Design","2010","10","3","1312","","10.1021/cg901354x","","","1.54178","CuKα","","0.1418","0.0875","","","0.2266","0.2635","","","","","","1.001","","","","has coordinates,has disorder","179556","2020-10-21","18:00:00",""
"4502554","6.6144","0.0002","7.0328","0.0002","13.3998","0.0005","90","","90","","90","","623.33","0.03","296","2","296","2","","","","","","","","6","I m m m","-I 2 2","71","[Cu(pyz)]2NbOF5","","","- C8 H8 Cu2 F6 N4 Nb -","- C8 H8 Cu2 F6 N4 Nb -","- C16 H16 Cu4 F12 N8 Nb2 -","2","0.125","","Lin, Haisheng; Maggard, Paul A.","Microporosity, Optical Bandgap Sizes, and Photocatalytic Activity of M(I)-Nb(V) (M = Cu, Ag) Oxyfluoride Hybrids","Crystal Growth & Design","2010","10","3","1323","","10.1021/cg9013625","","","0.71073","MoKα","","0.024","0.0211","","","0.0535","0.0562","","","","","","1.086","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502555","14.3011","0.0005","7.8202","0.0003","15.0078","0.0005","90","","90","","90","","1678.43","0.1","296","2","296","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C4 H4 Ag F4 N2 Nb O -","- C4 H4 Ag F4 N2 Nb O -","- C32 H32 Ag8 F32 N16 Nb8 O8 -","8","","","Lin, Haisheng; Maggard, Paul A.","Microporosity, Optical Bandgap Sizes, and Photocatalytic Activity of M(I)-Nb(V) (M = Cu, Ag) Oxyfluoride Hybrids","Crystal Growth & Design","2010","10","3","1323","","10.1021/cg9013625","","","0.71073","MoKα","","0.0632","0.0618","","","0.1766","0.1778","","","","","","1.099","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4502556","16.5122","0.0007","21.6214","0.0007","3.8322","0.0001","90","","90","","90","","1368.16","0.08","296","2","296","2","","","","","","","","7","C m m a","-C 2a 2","67","Cu(bpy)NbOF4.2H2O","","","- C10 H12 Cu F4 N2 Nb O3 -","- C10 H12 Cu F4 N2 Nb O3 -","- C40 H48 Cu4 F16 N8 Nb4 O12 -","4","0.25","","Lin, Haisheng; Maggard, Paul A.","Microporosity, Optical Bandgap Sizes, and Photocatalytic Activity of M(I)-Nb(V) (M = Cu, Ag) Oxyfluoride Hybrids","Crystal Growth & Design","2010","10","3","1323","","10.1021/cg9013625","","","0.71073","MoKα","","0.0448","0.0394","","","0.113","0.1182","","","","","","1.125","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502557","3.8103","0.0002","16.7026","0.001","22.2523","0.0012","90","","90.021","0.003","90","","1416.18","0.14","173","2","173","2","","","","","","","","7","I 1 2/m 1","-I 2y","12","Ag(bpy)NbOF4.2H2O","","","- C10 H12 Ag F4 N2 Nb O3 -","- C10 H12 Ag F4 N2 Nb O3 -","- C40 H48 Ag4 F16 N8 Nb4 O12 -","4","0.5","","Lin, Haisheng; Maggard, Paul A.","Microporosity, Optical Bandgap Sizes, and Photocatalytic Activity of M(I)-Nb(V) (M = Cu, Ag) Oxyfluoride Hybrids","Crystal Growth & Design","2010","10","3","1323","","10.1021/cg9013625","","","0.71073","MoKα","","0.0706","0.0556","","","0.142","0.1502","","","","","","1.064","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502558","17.2369","0.0008","35.5472","0.0019","9.9845","0.0005","90","","90","","90","","6117.7","0.5","296","2","296","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C24 H36 Cu2 F6 N4 Nb O8 -","- C24 H36 Cu2 F6 N4 Nb O8 -","- C192 H288 Cu16 F48 N32 Nb8 O64 -","8","0.25","","Lin, Haisheng; Maggard, Paul A.","Microporosity, Optical Bandgap Sizes, and Photocatalytic Activity of M(I)-Nb(V) (M = Cu, Ag) Oxyfluoride Hybrids","Crystal Growth & Design","2010","10","3","1323","","10.1021/cg9013625","","","0.71073","MoKα","","0.0641","0.044","","","0.085","0.0895","","","","","","1.032","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502559","6.0493","0.0009","14.41","0.002","22.861","0.003","90","","90","","90","","1992.8","0.5","115","2","115","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O4 S -","- C21 H25 N O4 S -","- C84 H100 N4 O16 S4 -","4","1","","Shiota, Naoki; Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Preparation of Supramolecular Thiophene Host System Showing Solid-State Fluorescence by Using Chiral (1R,2S)-2-Amino-1,2-diphenylethanol","Crystal Growth & Design","2010","10","3","1341","","10.1021/cg901364a","","","0.71073","MoKα","","0.0972","0.0792","","","0.1679","0.1772","","","","","","1.097","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502560","5.6782","0.0005","14.9054","0.0012","24.921","0.002","90","","90","","90","","2109.2","0.3","115","2","115","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 N O4 S -","- C22 H27 N O4 S -","- C88 H108 N4 O16 S4 -","4","1","","Shiota, Naoki; Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Preparation of Supramolecular Thiophene Host System Showing Solid-State Fluorescence by Using Chiral (1R,2S)-2-Amino-1,2-diphenylethanol","Crystal Growth & Design","2010","10","3","1341","","10.1021/cg901364a","","","0.71073","MoKα","","0.0845","0.0708","","","0.1457","0.153","","","","","","1.08","","","","has coordinates,has disorder","179556","2020-10-21","18:00:00",""
"4502561","6.0282","0.0008","14.258","0.0018","22.795","0.003","90","","90","","90","","1959.2","0.4","115","2","115","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O4 S -","- C21 H25 N O4 S -","- C84 H100 N4 O16 S4 -","4","1","","Shiota, Naoki; Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Preparation of Supramolecular Thiophene Host System Showing Solid-State Fluorescence by Using Chiral (1R,2S)-2-Amino-1,2-diphenylethanol","Crystal Growth & Design","2010","10","3","1341","","10.1021/cg901364a","","","0.71073","MoKα","","0.0971","0.0755","","","0.1529","0.1629","","","","","","1.095","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502562","5.5163","0.0004","15.0785","0.0012","25.018","0.002","90","","90","","90","","2080.9","0.3","115","2","115","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 N O4 S -","- C22 H27 N O4 S -","- C88 H108 N4 O16 S4 -","4","1","","Shiota, Naoki; Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Preparation of Supramolecular Thiophene Host System Showing Solid-State Fluorescence by Using Chiral (1R,2S)-2-Amino-1,2-diphenylethanol","Crystal Growth & Design","2010","10","3","1341","","10.1021/cg901364a","","","0.71073","MoKα","","0.0669","0.0563","","","0.1153","0.1204","","","","","","1.045","","","","has coordinates,has disorder","179556","2020-10-21","18:00:00",""
"4502563","7.14","0.003","27.938","0.01","8.102","0.003","90","","98.042","0.006","90","","1600.3","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H16 Hg N2 S14 Sb8 -","- C4 H16 Hg N2 S14 Sb8 -","- C8 H32 Hg2 N4 S28 Sb16 -","2","0.5","","Kong, De-Nian; Xie, Zai-Lai; Feng, Mei-Ling; Ye, Dong; Du, Ke-Zhao; Li, Jian-Rong; Huang, Xiao-Ying","From One-Dimensional Ribbon to Three-Dimensional Microporous Framework: The Syntheses, Crystal Structures, and Properties of a Series of Mercury Antimony Chalcogenides","Crystal Growth & Design","2010","10","3","1364","","10.1021/cg9013834","","","0.71073","MoKα","","0.04","0.0368","","","0.0911","0.0931","","","","","","1.1","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502564","8.88","0.005","8.976","0.005","18.883","0.01","90","","90","","90","","1505.1","1.4","293","2","293","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C H4 Hg N S3 Sb -","- C H4 Hg N S3 Sb -","- C8 H32 Hg8 N8 S24 Sb8 -","8","","","Kong, De-Nian; Xie, Zai-Lai; Feng, Mei-Ling; Ye, Dong; Du, Ke-Zhao; Li, Jian-Rong; Huang, Xiao-Ying","From One-Dimensional Ribbon to Three-Dimensional Microporous Framework: The Syntheses, Crystal Structures, and Properties of a Series of Mercury Antimony Chalcogenides","Crystal Growth & Design","2010","10","3","1364","","10.1021/cg9013834","","","0.71073","MoKα","","0.0455","0.0384","","","0.081","0.0831","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502565","9.013","0.006","8.856","0.006","25.757","0.016","90","","90","","90","","2056","2","293","2","293","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C3 H10 Hg N2 S3 Sb -","- C3 H10 Hg N2 S3 Sb -","- C24 H80 Hg8 N16 S24 Sb8 -","8","","","Kong, De-Nian; Xie, Zai-Lai; Feng, Mei-Ling; Ye, Dong; Du, Ke-Zhao; Li, Jian-Rong; Huang, Xiao-Ying","From One-Dimensional Ribbon to Three-Dimensional Microporous Framework: The Syntheses, Crystal Structures, and Properties of a Series of Mercury Antimony Chalcogenides","Crystal Growth & Design","2010","10","3","1364","","10.1021/cg9013834","","","0.71073","MoKα","","0.0452","0.0429","","","0.1156","0.1178","","","","","","1.098","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502566","9.476","0.003","11.355","0.003","19.349","0.005","90","","90","","90","","2082","1","296","2","296","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C3 H11 Hg N2 S3 Sb -","- C3 H11 Hg N2 S3 Sb -","- C24 H88 Hg8 N16 S24 Sb8 -","8","","","Kong, De-Nian; Xie, Zai-Lai; Feng, Mei-Ling; Ye, Dong; Du, Ke-Zhao; Li, Jian-Rong; Huang, Xiao-Ying","From One-Dimensional Ribbon to Three-Dimensional Microporous Framework: The Syntheses, Crystal Structures, and Properties of a Series of Mercury Antimony Chalcogenides","Crystal Growth & Design","2010","10","3","1364","","10.1021/cg9013834","","","0.71073","MoKα","","0.027","0.0257","","","0.0776","0.0791","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502567","19.875","0.01","7.768","0.003","14.736","0.007","90","","106.635","0.008","90","","2179.9","1.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C6 H24 Hg2 N6 Ni S6 Sb2 -","- C6 H24 Hg2 N6 Ni S6 Sb2 -","- C24 H96 Hg8 N24 Ni4 S24 Sb8 -","4","0.5","","Kong, De-Nian; Xie, Zai-Lai; Feng, Mei-Ling; Ye, Dong; Du, Ke-Zhao; Li, Jian-Rong; Huang, Xiao-Ying","From One-Dimensional Ribbon to Three-Dimensional Microporous Framework: The Syntheses, Crystal Structures, and Properties of a Series of Mercury Antimony Chalcogenides","Crystal Growth & Design","2010","10","3","1364","","10.1021/cg9013834","","","0.71073","MoKα","","0.0352","0.0326","","","0.0778","0.0798","","","","","","1.058","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502568","19.4511","0.0014","8.6547","0.0005","10.0138","0.0006","90","","90","","90","","1685.76","0.19","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C3 H10 Hg2 N2 Rb Sb2 Se6 -","- C3 H10 Hg2 N2 Rb Sb2 Se6 -","- C12 H40 Hg8 N8 Rb4 Sb8 Se24 -","4","0.5","","Kong, De-Nian; Xie, Zai-Lai; Feng, Mei-Ling; Ye, Dong; Du, Ke-Zhao; Li, Jian-Rong; Huang, Xiao-Ying","From One-Dimensional Ribbon to Three-Dimensional Microporous Framework: The Syntheses, Crystal Structures, and Properties of a Series of Mercury Antimony Chalcogenides","Crystal Growth & Design","2010","10","3","1364","","10.1021/cg9013834","","","0.71073","MoKα","","0.0428","0.0353","","","0.0783","0.0815","","","","","","1.104","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502569","27.4012","0.0012","27.4012","0.0012","17.2577","0.0008","90","","90","","120","","11221.5","0.9","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C21 H14 O9 S3 U -","- C21 H14 O9 S3 U -","- C378 H252 O162 S54 U18 -","18","1","","Rowland, Clare E.; Belai, Nebebech; Knope, Karah E.; Cahill, Christopher L.","Hydrothermal Synthesis of Disulfide-Containing Uranyl Compounds: In Situ Ligand Synthesis versus Direct Assembly","Crystal Growth & Design","2010","10","3","1390","","10.1021/cg901390n","","","0.71073","MoKα","","0.0471","0.0328","","","0.0613","0.0657","","","","","","1.076","","","","has coordinates,has disorder","179556","2020-10-21","18:00:00",""
"4502570","21.829","0.0011","9.9841","0.0005","21.7784","0.0011","90","","112.214","0.001","90","","4394.2","0.4","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H13 O8 S3 U -","- C21 H13 O8 S3 U -","- C168 H104 O64 S24 U8 -","8","1","","Rowland, Clare E.; Belai, Nebebech; Knope, Karah E.; Cahill, Christopher L.","Hydrothermal Synthesis of Disulfide-Containing Uranyl Compounds: In Situ Ligand Synthesis versus Direct Assembly","Crystal Growth & Design","2010","10","3","1390","","10.1021/cg901390n","","","0.71073","MoKα","","0.0341","0.0246","","","0.0568","0.0614","","","","","","1.028","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502571","10.3354","0.0004","10.9653","0.0004","14.0982","0.0005","88.601","0.001","84.42","0.001","77.169","0.001","1550.47","0.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H16 O12 S4 U2 -","- C28 H16 O12 S4 U2 -","- C56 H32 O24 S8 U4 -","2","1","","Rowland, Clare E.; Belai, Nebebech; Knope, Karah E.; Cahill, Christopher L.","Hydrothermal Synthesis of Disulfide-Containing Uranyl Compounds: In Situ Ligand Synthesis versus Direct Assembly","Crystal Growth & Design","2010","10","3","1390","","10.1021/cg901390n","","","0.71073","MoKα","","0.0327","0.0223","","","0.0457","0.0486","","","","","","1.023","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502572","14.7621","0.0011","5.0883","0.0004","17.5669","0.0013","90","","92.109","0.001","90","","1318.63","0.17","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","3,3'-dithiobisbenzoic acid","3,3'-disulfanediyldibenzoic acid","","- C14 H10 O4 S2 -","- C14 H10 O4 S2 -","- C56 H40 O16 S8 -","4","0.5","","Rowland, Clare E.; Belai, Nebebech; Knope, Karah E.; Cahill, Christopher L.","Hydrothermal Synthesis of Disulfide-Containing Uranyl Compounds: In Situ Ligand Synthesis versus Direct Assembly","Crystal Growth & Design","2010","10","3","1390","","10.1021/cg901390n","","","0.71073","MoKα","","0.0952","0.0593","","","0.1633","0.185","","","","","","1.071","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502573","5.4028","0.0006","5.032","0.0006","24.475","0.003","90","","91.301","0.002","90","","665.23","0.14","296","2","296","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","4,4'-dithiobisbenzoic acid'","4,4'-disulfanediyldibenzoic acid","","- C14 H10 O4 S2 -","- C14 H10 O4 S2 -","- C28 H20 O8 S4 -","2","0.5","","Rowland, Clare E.; Belai, Nebebech; Knope, Karah E.; Cahill, Christopher L.","Hydrothermal Synthesis of Disulfide-Containing Uranyl Compounds: In Situ Ligand Synthesis versus Direct Assembly","Crystal Growth & Design","2010","10","3","1390","","10.1021/cg901390n","","","0.71073","MoKα","","0.1038","0.034","","","0.0498","0.0599","","","","","","0.748","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502574","20.454","0.003","21.893","0.004","23.565","0.004","87.502","0.003","81.844","0.003","70.296","0.003","9834","3","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- As4 H144 K7 Na6 Nd3 O212 W41 -","- As4 K3 Na3 Nd3 O193 W41 -","- As8 K6 Na6 Nd6 O386 W82 -","2","1","","Ritchie, Chris; Boskovic, Colette","Disassembly and Reassembly of Polyoxometalates: The Formation of Chains from an Adaptable Precursor","Crystal Growth & Design","2010","10","2","488","","10.1021/cg901400k","","","0.71073","MoKα","","0.1302","0.0974","","","0.2141","0.2347","","","","","","1.11","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502575","22.1515","0.0002","19.8626","0.0002","24.6483","0.0002","90","","90","","90","","10844.9","0.17","130","2","130","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C8 H178 As4 Dy8 K2 N4 Na2 O239 W44 -","- C8 As4 Dy8 K2 N4 Na2 O239 W44 -","- C16 As8 Dy16 K4 N8 Na4 O478 W88 -","2","0.25","","Ritchie, Chris; Boskovic, Colette","Disassembly and Reassembly of Polyoxometalates: The Formation of Chains from an Adaptable Precursor","Crystal Growth & Design","2010","10","2","488","","10.1021/cg901400k","","","1.54184","CuKα","","0.0483","0.0403","","","0.1051","0.1079","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502576","13.8997","0.0018","14.854","0.002","11.1887","0.0014","90","","102.556","0.003","90","","2254.8","0.5","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N4 O -","- C28 H24 N4 O -","- C112 H96 N16 O4 -","4","1","","Hu, Sheng; Meng, Zhao-Sha; Tong, Ming-Liang","Structure and Topology Versatility of Metal−Organic Frameworks Based on Tetradentate Ligands Isolated from Hydrothermal Metal/Ligand Reactions","Crystal Growth & Design","2010","10","4","1742","","10.1021/cg901403b","","","0.71073","MoKα","","0.0751","0.0524","","","0.124","0.137","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502577","12.5739","0.0017","6.2862","0.0008","15.712","0.002","90","","113.038","0.003","90","","1142.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N4 O2 -","- C26 H22 N4 O2 -","- C52 H44 N8 O4 -","2","0.5","","Hu, Sheng; Meng, Zhao-Sha; Tong, Ming-Liang","Structure and Topology Versatility of Metal−Organic Frameworks Based on Tetradentate Ligands Isolated from Hydrothermal Metal/Ligand Reactions","Crystal Growth & Design","2010","10","4","1742","","10.1021/cg901403b","","","0.71073","MoKα","","0.069","0.0535","","","0.1234","0.1326","","","","","","1.079","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502578","10.2936","0.0012","9.8758","0.0012","12.7191","0.0015","90","","105.893","0.002","90","","1243.6","0.3","296","2","296","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C26 H20 Cd Cl2 N4 O -","- C26 H18 Cd Cl2 N4 O -","- C52 H36 Cd2 Cl4 N8 O2 -","2","0.5","","Hu, Sheng; Meng, Zhao-Sha; Tong, Ming-Liang","Structure and Topology Versatility of Metal−Organic Frameworks Based on Tetradentate Ligands Isolated from Hydrothermal Metal/Ligand Reactions","Crystal Growth & Design","2010","10","4","1742","","10.1021/cg901403b","","","0.71073","MoKα","","0.039","0.0347","","","0.0833","0.0857","","","","","","1.057","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4502579","26.9517","0.0014","26.9517","0.0014","13.2369","0.0014","90","","90","","120","","8327","1.1","123","2","123","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C26 H20 Cd Cl2 N4 O -","- C26 H18 Cd Cl2 N4 O -","- C234 H162 Cd9 Cl18 N36 O9 -","9","0.25","","Hu, Sheng; Meng, Zhao-Sha; Tong, Ming-Liang","Structure and Topology Versatility of Metal−Organic Frameworks Based on Tetradentate Ligands Isolated from Hydrothermal Metal/Ligand Reactions","Crystal Growth & Design","2010","10","4","1742","","10.1021/cg901403b","","","0.71073","MoKα","","0.052","0.0492","","","0.1528","0.157","","","","","","1.155","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4502580","27.9319","0.0006","14.3167","0.0009","21.4476","0.0006","90","","90","","90","","8576.7","0.6","123","2","123","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C66 H72 Cd4 Cl2 N11 O24.5 -","- C66 H59 Cd4 Cl2 N11 O24.5 -","- C264 H236 Cd16 Cl8 N44 O98 -","4","0.25","","Hu, Sheng; Meng, Zhao-Sha; Tong, Ming-Liang","Structure and Topology Versatility of Metal−Organic Frameworks Based on Tetradentate Ligands Isolated from Hydrothermal Metal/Ligand Reactions","Crystal Growth & Design","2010","10","4","1742","","10.1021/cg901403b","","","1.54178","CuKα","","0.0882","0.0578","","","0.1638","0.1792","","","","","","0.951","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4502581","21.107","0.002","21.185","0.002","36.323","0.004","89.001","0.002","82.486","0.002","68.359","0.002","14959","3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C177 H208 Dy26 N25 O154 Zn1.5 -","- C177 H124 Dy26 N25 O154 Zn1.5 -","- C354 H248 Dy52 N50 O308 Zn3 -","2","1","","Huang, Lian; Han, Lijie; Feng, Wenjun; Zheng, Lei; Zhang, Zhibin; Xu, Yan; Chen, Qi; Zhu, Dunru; Niu, Shuyun","Two 3D Coordination Frameworks Based on Nanosized Huge Ln26(Ln = Dy and Gd) Spherical Clusters","Crystal Growth & Design","2010","10","6","2548","","10.1021/cg9014064","","","0.71073","MoKα","","0.1092","0.067","","","0.1677","0.1906","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502582","19.6213","0.0015","22.185","0.0017","34.654","0.003","88.534","0.001","85.652","0.001","72.979","0.001","14382","2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C181 H207 Gd26 N26 O152 Zn1.5 -","- C181 H125 Gd26 N26 O153 Zn1.5 -","- C362 H250 Gd52 N52 O306 Zn3 -","2","1","","Huang, Lian; Han, Lijie; Feng, Wenjun; Zheng, Lei; Zhang, Zhibin; Xu, Yan; Chen, Qi; Zhu, Dunru; Niu, Shuyun","Two 3D Coordination Frameworks Based on Nanosized Huge Ln26(Ln = Dy and Gd) Spherical Clusters","Crystal Growth & Design","2010","10","6","2548","","10.1021/cg9014064","","","0.71073","MoKα","","0.0974","0.0665","","","0.1784","0.1942","","","","","","1.088","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4502583","8.768","0.0003","8.8946","0.0003","9.0259","0.0003","95.739","0.002","96.267","0.002","99.075","0.002","686","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H14 N6 O6 -","- C11 H14 N6 O6 -","- C22 H28 N12 O12 -","2","1","","Lee, Tu; Wang, Pu Yun","Screening, Manufacturing, Photoluminescence, and Molecular Recognition of Co-Crystals: Cytosine with Dicarboxylic Acids","Crystal Growth & Design","2010","10","3","1419","","10.1021/cg901412d","","","0.71073","MoKα","","0.0791","0.0452","","","0.1163","0.1345","","","","","","1.033","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502584","6.5157","0.0002","15.1368","0.0006","12.6989","0.0005","90","","101.689","0.002","90","","1226.48","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 N6 O5 -","- C9 H13 N6 O5 -","- C36 H52 N24 O20 -","4","1","","Lee, Tu; Wang, Pu Yun","Screening, Manufacturing, Photoluminescence, and Molecular Recognition of Co-Crystals: Cytosine with Dicarboxylic Acids","Crystal Growth & Design","2010","10","3","1419","","10.1021/cg901412d","","","0.71073","MoKα","","0.094","0.0779","","","0.2414","0.2588","","","","","","1.041","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502585","3.8268","0.0001","6.535","0.0002","14.294","0.0004","90.535","0.001","91.6","0.001","92.703","0.001","356.909","0.017","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H8 N3 O3 -","- C6 H8 N3 O3 -","- C12 H16 N6 O6 -","2","1","","Lee, Tu; Wang, Pu Yun","Screening, Manufacturing, Photoluminescence, and Molecular Recognition of Co-Crystals: Cytosine with Dicarboxylic Acids","Crystal Growth & Design","2010","10","3","1419","","10.1021/cg901412d","","","0.71073","MoKα","","0.0483","0.0436","","","0.1372","0.1495","","","","","","1.123","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502586","7.7179","0.0002","9.8143","0.0002","7.5218","0.0002","90","","100.483","0.001","90","","560.24","0.02","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H7 N3 O2 -","- C4 H7 N3 O2 -","- C16 H28 N12 O8 -","4","1","","Lee, Tu; Wang, Pu Yun","Screening, Manufacturing, Photoluminescence, and Molecular Recognition of Co-Crystals: Cytosine with Dicarboxylic Acids","Crystal Growth & Design","2010","10","3","1419","","10.1021/cg901412d","","","0.71073","MoKα","","0.0428","0.0394","","","0.1139","0.1173","","","","","","1.089","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502587","11.5808","0.0012","17.4629","0.0018","19.585","0.002","90","","91.418","0.001","90","","3959.5","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H26 N10 O8 Pb -","- C44 H26 N10 O8 Pb -","- C176 H104 N40 O32 Pb4 -","4","1","","Wang, Xiu-Li; Chen, Yong-Qiang; Gao, Qiang; Lin, Hong-Yan; Liu, Guo-Cheng; Zhang, Jin-Xia; Tian, Ai-Xiang","Coordination Behavior of 5,6-Substituted 1,10-Phenanthroline Derivatives and Structural Diversities by Coligands in the Construction of Lead(II) Complexes","Crystal Growth & Design","2010","10","5","2174","","10.1021/cg901431r","","","0.71073","MoKα","","0.0963","0.0478","","","0.1013","0.1198","","","","","","1.001","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502588","8.598","0.0007","31.731","0.003","15.4683","0.0013","90","","90","","90","","4220.1","0.6","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C52 H32 N10 O4 Pb -","- C52 H32 N10 O4 Pb -","- C208 H128 N40 O16 Pb4 -","4","0.5","","Wang, Xiu-Li; Chen, Yong-Qiang; Gao, Qiang; Lin, Hong-Yan; Liu, Guo-Cheng; Zhang, Jin-Xia; Tian, Ai-Xiang","Coordination Behavior of 5,6-Substituted 1,10-Phenanthroline Derivatives and Structural Diversities by Coligands in the Construction of Lead(II) Complexes","Crystal Growth & Design","2010","10","5","2174","","10.1021/cg901431r","","","0.71073","MoKα","","0.0889","0.0457","","","0.1326","0.1565","","","","","","1.005","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502589","15.7551","0.0013","17.4602","0.0015","20.7841","0.0013","90","","115.01","0.005","90","","5181.3","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 N6 O5 Pb -","- C31 H20 N6 O5 Pb -","- C248 H160 N48 O40 Pb8 -","8","2","","Wang, Xiu-Li; Chen, Yong-Qiang; Gao, Qiang; Lin, Hong-Yan; Liu, Guo-Cheng; Zhang, Jin-Xia; Tian, Ai-Xiang","Coordination Behavior of 5,6-Substituted 1,10-Phenanthroline Derivatives and Structural Diversities by Coligands in the Construction of Lead(II) Complexes","Crystal Growth & Design","2010","10","5","2174","","10.1021/cg901431r","","","0.71073","MoKα","","0.0603","0.0341","","","0.0565","0.0612","","","","","","0.942","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502590","14.517","0.018","16.34","0.02","20","0.02","90","","110.61","0.08","90","","4441","9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H15 N4 O5 Pb -","- C27 H15 N4 O5 Pb -","- C216 H120 N32 O40 Pb8 -","8","1","","Wang, Xiu-Li; Chen, Yong-Qiang; Gao, Qiang; Lin, Hong-Yan; Liu, Guo-Cheng; Zhang, Jin-Xia; Tian, Ai-Xiang","Coordination Behavior of 5,6-Substituted 1,10-Phenanthroline Derivatives and Structural Diversities by Coligands in the Construction of Lead(II) Complexes","Crystal Growth & Design","2010","10","5","2174","","10.1021/cg901431r","","","0.71073","MoKα","","0.0357","0.0252","","","0.0512","0.0536","","","","","","1.035","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502591","9.3674","0.0012","9.4589","0.0012","12.6197","0.0016","95.391","0.002","102.858","0.002","100.959","0.002","1059.4","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H17 N5 O5 Pb -","- C23 H17 N5 O5 Pb -","- C46 H34 N10 O10 Pb2 -","2","1","","Wang, Xiu-Li; Chen, Yong-Qiang; Gao, Qiang; Lin, Hong-Yan; Liu, Guo-Cheng; Zhang, Jin-Xia; Tian, Ai-Xiang","Coordination Behavior of 5,6-Substituted 1,10-Phenanthroline Derivatives and Structural Diversities by Coligands in the Construction of Lead(II) Complexes","Crystal Growth & Design","2010","10","5","2174","","10.1021/cg901431r","","","0.71073","MoKα","","0.0553","0.0455","","","0.135","0.1413","","","","","","1.011","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502592","10.235","0.0012","13.797","0.0016","19.4061","0.0017","90","","117.958","0.005","90","","2420.6","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H15 N5 O6 Pb -","- C26 H15 N5 O6 Pb -","- C104 H60 N20 O24 Pb4 -","4","1","","Wang, Xiu-Li; Chen, Yong-Qiang; Gao, Qiang; Lin, Hong-Yan; Liu, Guo-Cheng; Zhang, Jin-Xia; Tian, Ai-Xiang","Coordination Behavior of 5,6-Substituted 1,10-Phenanthroline Derivatives and Structural Diversities by Coligands in the Construction of Lead(II) Complexes","Crystal Growth & Design","2010","10","5","2174","","10.1021/cg901431r","","","0.71073","MoKα","","0.0865","0.0448","","","0.106","0.1164","","","","","","1.049","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502593","15.241","0.001","15.04","0.001","19.7935","0.0013","90","","108.83","0.001","90","","4294.3","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H15 N5 O4 Pb -","- C26 H15 N5 O4 Pb -","- C208 H120 N40 O32 Pb8 -","8","1","","Wang, Xiu-Li; Chen, Yong-Qiang; Gao, Qiang; Lin, Hong-Yan; Liu, Guo-Cheng; Zhang, Jin-Xia; Tian, Ai-Xiang","Coordination Behavior of 5,6-Substituted 1,10-Phenanthroline Derivatives and Structural Diversities by Coligands in the Construction of Lead(II) Complexes","Crystal Growth & Design","2010","10","5","2174","","10.1021/cg901431r","","","0.71073","MoKα","","0.0286","0.0218","","","0.0506","0.0526","","","","","","1.019","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502594","15.0313","0.0015","15.0313","0.0015","20.896","0.002","90","","90","","120","","4088.7","0.7","296","2","296","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C32 H19 N5 O4 Pb -","- C32 H19 N5 O4 Pb -","- C192 H114 N30 O24 Pb6 -","6","1","","Wang, Xiu-Li; Chen, Yong-Qiang; Gao, Qiang; Lin, Hong-Yan; Liu, Guo-Cheng; Zhang, Jin-Xia; Tian, Ai-Xiang","Coordination Behavior of 5,6-Substituted 1,10-Phenanthroline Derivatives and Structural Diversities by Coligands in the Construction of Lead(II) Complexes","Crystal Growth & Design","2010","10","5","2174","","10.1021/cg901431r","","","0.71073","MoKα","","0.0773","0.0431","","","0.065","0.0742","","","","","","0.946","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502595","13.177","0.009","6.571","0.003","14.444","0.007","90","","100.54","0.04","90","","1229.5","1.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Cl Cu N6 -","- C12 H10 Cl Cu N6 -","- C48 H40 Cl4 Cu4 N24 -","4","1","","Li, Baiyan; Peng, Yu; Li, Guanghua; Hua, Jia; Yu, Yang; Jin, Di; Shi, Zhan; Feng, Shouhua","Design and Construction of Coordination Polymers by 4-Amino-3,5-bis(n-pyridyl)-1,2,4-triazole (n= 2, 3, 4) Isomers in a Copper(I) Halide System: Diverse Structures Tuned by Isomeric and Anion Effects","Crystal Growth & Design","2010","10","5","2192","","10.1021/cg901438x","","","0.71073","MoKα","","0.1122","0.0715","","","0.195","0.2138","","","","","","1","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502596","7.7997","0.0016","13.514","0.003","16.373","0.003","103.66","0.03","100.2","0.03","103.09","0.03","1584.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Cu4 I4 N12 -","- C24 H20 Cu4 I4 N12 -","- C48 H40 Cu8 I8 N24 -","2","1","","Li, Baiyan; Peng, Yu; Li, Guanghua; Hua, Jia; Yu, Yang; Jin, Di; Shi, Zhan; Feng, Shouhua","Design and Construction of Coordination Polymers by 4-Amino-3,5-bis(n-pyridyl)-1,2,4-triazole (n= 2, 3, 4) Isomers in a Copper(I) Halide System: Diverse Structures Tuned by Isomeric and Anion Effects","Crystal Growth & Design","2010","10","5","2192","","10.1021/cg901438x","","","0.71073","MoKα","","0.1598","0.0621","","","0.1327","0.1785","","","","","","0.95","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502597","7.4292","0.0015","14.559","0.003","17.925","0.005","90","","108.21","0.03","90","","1841.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cu2 I3 N6 -","- C12 H10 Cu2 I3 N6 -","- C48 H40 Cu8 I12 N24 -","4","1","","Li, Baiyan; Peng, Yu; Li, Guanghua; Hua, Jia; Yu, Yang; Jin, Di; Shi, Zhan; Feng, Shouhua","Design and Construction of Coordination Polymers by 4-Amino-3,5-bis(n-pyridyl)-1,2,4-triazole (n= 2, 3, 4) Isomers in a Copper(I) Halide System: Diverse Structures Tuned by Isomeric and Anion Effects","Crystal Growth & Design","2010","10","5","2192","","10.1021/cg901438x","","","0.71073","MoKα","","0.0882","0.0728","","","0.1668","0.1752","","","","","","1.107","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502598","15.34","0.003","17.579","0.004","6.997","0.0014","90","","90","","90","","1886.8","0.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H10 Cu3 I3 N6 -","- C12 H10 Cu3 I3 N6 -","- C48 H40 Cu12 I12 N24 -","4","0.5","","Li, Baiyan; Peng, Yu; Li, Guanghua; Hua, Jia; Yu, Yang; Jin, Di; Shi, Zhan; Feng, Shouhua","Design and Construction of Coordination Polymers by 4-Amino-3,5-bis(n-pyridyl)-1,2,4-triazole (n= 2, 3, 4) Isomers in a Copper(I) Halide System: Diverse Structures Tuned by Isomeric and Anion Effects","Crystal Growth & Design","2010","10","5","2192","","10.1021/cg901438x","","","0.71073","MoKα","","0.0642","0.0528","","","0.1589","0.1664","","","","","","1.09","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502599","9.9483","0.0005","12.4494","0.0007","15.7784","0.0009","90","","127.973","0.003","90","","1540.47","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Br2 Cu2 N6 -","- C12 H10 Br2 Cu2 N6 -","- C48 H40 Br8 Cu8 N24 -","4","1","","Li, Baiyan; Peng, Yu; Li, Guanghua; Hua, Jia; Yu, Yang; Jin, Di; Shi, Zhan; Feng, Shouhua","Design and Construction of Coordination Polymers by 4-Amino-3,5-bis(n-pyridyl)-1,2,4-triazole (n= 2, 3, 4) Isomers in a Copper(I) Halide System: Diverse Structures Tuned by Isomeric and Anion Effects","Crystal Growth & Design","2010","10","5","2192","","10.1021/cg901438x","","","0.71073","MoKα","","0.0422","0.0267","","","0.0555","0.0589","","","","","","0.947","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502600","7.7045","0.0002","13.3663","0.0004","14.6717","0.0004","90","","120.289","0.002","90","","1304.65","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Br Cu N6 -","- C12 H10 Br Cu N6 -","- C48 H40 Br4 Cu4 N24 -","4","1","","Li, Baiyan; Peng, Yu; Li, Guanghua; Hua, Jia; Yu, Yang; Jin, Di; Shi, Zhan; Feng, Shouhua","Design and Construction of Coordination Polymers by 4-Amino-3,5-bis(n-pyridyl)-1,2,4-triazole (n= 2, 3, 4) Isomers in a Copper(I) Halide System: Diverse Structures Tuned by Isomeric and Anion Effects","Crystal Growth & Design","2010","10","5","2192","","10.1021/cg901438x","","","0.71073","MoKα","","0.0494","0.0388","","","0.0976","0.1023","","","","","","1.005","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502601","7.126","0.0005","12.5407","0.001","30.918","0.003","90","","90","","90","","2763","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H10 Cl2 Cu2 N6 -","- C12 H10 Cl2 Cu2 N6 -","- C96 H80 Cl16 Cu16 N48 -","8","1","","Li, Baiyan; Peng, Yu; Li, Guanghua; Hua, Jia; Yu, Yang; Jin, Di; Shi, Zhan; Feng, Shouhua","Design and Construction of Coordination Polymers by 4-Amino-3,5-bis(n-pyridyl)-1,2,4-triazole (n= 2, 3, 4) Isomers in a Copper(I) Halide System: Diverse Structures Tuned by Isomeric and Anion Effects","Crystal Growth & Design","2010","10","5","2192","","10.1021/cg901438x","","","0.71073","MoKα","","0.0627","0.0384","","","0.0815","0.0881","","","","","","0.979","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502602","10.6561","0.0013","8.7946","0.0009","15.819","0.0016","90","","100.595","0.008","90","","1457.2","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H9 Br2 Cu2 N6 -","- C12 H9 Br2 Cu2 N6 -","- C48 H36 Br8 Cu8 N24 -","4","0.5","","Li, Baiyan; Peng, Yu; Li, Guanghua; Hua, Jia; Yu, Yang; Jin, Di; Shi, Zhan; Feng, Shouhua","Design and Construction of Coordination Polymers by 4-Amino-3,5-bis(n-pyridyl)-1,2,4-triazole (n= 2, 3, 4) Isomers in a Copper(I) Halide System: Diverse Structures Tuned by Isomeric and Anion Effects","Crystal Growth & Design","2010","10","5","2192","","10.1021/cg901438x","","","0.71073","MoKα","","0.0417","0.0276","","","0.0536","0.0567","","","","","","0.923","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502603","7.4676","0.0015","9.1796","0.0018","10.032","0.002","100.09","0.03","102.75","0.03","92.02","0.03","658.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Br Cu N6 -","- C12 H10 Br Cu N6 -","- C24 H20 Br2 Cu2 N12 -","2","1","","Li, Baiyan; Peng, Yu; Li, Guanghua; Hua, Jia; Yu, Yang; Jin, Di; Shi, Zhan; Feng, Shouhua","Design and Construction of Coordination Polymers by 4-Amino-3,5-bis(n-pyridyl)-1,2,4-triazole (n= 2, 3, 4) Isomers in a Copper(I) Halide System: Diverse Structures Tuned by Isomeric and Anion Effects","Crystal Growth & Design","2010","10","5","2192","","10.1021/cg901438x","","","0.71073","MoKα","","0.0497","0.0322","","","0.0602","0.0722","","","","","","1.051","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502604","9.4591","0.0006","10.2141","0.0006","14.1803","0.001","90","","90.052","0.004","90","","1370.05","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cu I N6 -","- C12 H10 Cu I N6 -","- C48 H40 Cu4 I4 N24 -","4","1","","Li, Baiyan; Peng, Yu; Li, Guanghua; Hua, Jia; Yu, Yang; Jin, Di; Shi, Zhan; Feng, Shouhua","Design and Construction of Coordination Polymers by 4-Amino-3,5-bis(n-pyridyl)-1,2,4-triazole (n= 2, 3, 4) Isomers in a Copper(I) Halide System: Diverse Structures Tuned by Isomeric and Anion Effects","Crystal Growth & Design","2010","10","5","2192","","10.1021/cg901438x","","","0.71073","MoKα","","0.0264","0.0211","","","0.051","0.0522","","","","","","0.964","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502605","7.5308","0.001","7.8333","0.0009","16.04","0.002","80.271","0.008","89.865","0.008","89.413","0.008","932.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Cu3 I3 N6 -","- C12 H10 Cu3 I3 N6 -","- C24 H20 Cu6 I6 N12 -","2","1","","Li, Baiyan; Peng, Yu; Li, Guanghua; Hua, Jia; Yu, Yang; Jin, Di; Shi, Zhan; Feng, Shouhua","Design and Construction of Coordination Polymers by 4-Amino-3,5-bis(n-pyridyl)-1,2,4-triazole (n= 2, 3, 4) Isomers in a Copper(I) Halide System: Diverse Structures Tuned by Isomeric and Anion Effects","Crystal Growth & Design","2010","10","5","2192","","10.1021/cg901438x","","","0.71073","MoKα","","0.0322","0.0273","","","0.068","0.0712","","","","","","1.033","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502606","8.5625","0.0006","8.8778","0.0005","10.2525","0.0005","76.291","0.004","76.928","0.004","63.95","0.004","673.55","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Cu2 I2 N12 -","- C24 H20 Cu2 I2 N12 -","- C24 H20 Cu2 I2 N12 -","1","0.5","","Li, Baiyan; Peng, Yu; Li, Guanghua; Hua, Jia; Yu, Yang; Jin, Di; Shi, Zhan; Feng, Shouhua","Design and Construction of Coordination Polymers by 4-Amino-3,5-bis(n-pyridyl)-1,2,4-triazole (n= 2, 3, 4) Isomers in a Copper(I) Halide System: Diverse Structures Tuned by Isomeric and Anion Effects","Crystal Growth & Design","2010","10","5","2192","","10.1021/cg901438x","","","0.71073","MoKα","","0.0379","0.0281","","","0.061","0.064","","","","","","0.982","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502607","11.0389","0.0013","22.784","0.003","31.28","0.004","90","","90","","90","","7867.2","1.7","293","2","293","2","","","","","","","","6","F 2 2 2","F 2 2","22","","","","- C9 H14.5 Cl1.5 Cu1.75 N3 O12.75 -","- C9 H11 Cl1.5 Cu1.75 N3 O12.75 -","- C144 H176 Cl24 Cu28 N48 O204 -","16","1","","Marino, Nadia; Armentano, Donatella; Mastropietro, Teresa F.; Julve, Miguel; Lloret, Francesc; De Munno, Giovanni","A Copper(II)-Cytidine Complex as a Building Unit for the Construction of an Unusual Three-Dimensional Coordination Polymer","Crystal Growth & Design","2010","10","4","1757","","10.1021/cg9014465","","","0.71073","MoKα","","0.074","0.0637","","","0.2075","0.219","","","","","","1.056","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502608","7.122","0.005","10.876","0.005","13.443","0.005","79.767","0.005","74.836","0.005","79.822","0.005","979.7","0.9","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H11 Hg N11 O S2 -","- C14 H11 Hg N11 O S2 -","- C28 H22 Hg2 N22 O2 S4 -","2","1","","Zhou, Hong-Ping; Gan, Xiao-Ping; Li, Xian-Lei; Liu, Zhao-Di; Geng, Wen-Qian; Zhou, Fei-Xia; Ke, Wei-Zai; Wang, Peng; Kong, Lin; Hao, Fu-Ying; Wu, Jie-Ying; Tian, Yu-Peng","Anion-Induced Assembly of Five-Coordinated Mercury(II) Complexes and Density Functional Theory Calculations to Study Bond Dissociation Energies of Long Hg−N Bonds","Crystal Growth & Design","2010","10","4","1767","","10.1021/cg901453a","","","0.71069","MoKα","","0.0393","0.03","","","0.0585","0.0618","","","","","","1.02","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502609","7.876","0.005","10.659","0.005","11.852","0.005","74.143","0.005","88.576","0.005","81.308","0.005","946","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 Hg I2 N9 O -","- C12 H11 Hg I2 N9 O -","- C24 H22 Hg2 I4 N18 O2 -","2","1","","Zhou, Hong-Ping; Gan, Xiao-Ping; Li, Xian-Lei; Liu, Zhao-Di; Geng, Wen-Qian; Zhou, Fei-Xia; Ke, Wei-Zai; Wang, Peng; Kong, Lin; Hao, Fu-Ying; Wu, Jie-Ying; Tian, Yu-Peng","Anion-Induced Assembly of Five-Coordinated Mercury(II) Complexes and Density Functional Theory Calculations to Study Bond Dissociation Energies of Long Hg−N Bonds","Crystal Growth & Design","2010","10","4","1767","","10.1021/cg901453a","","","0.71069","MoKα","","0.0436","0.0313","","","0.0806","0.107","","","","","","1.113","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502610","7.871","0.005","10.701","0.005","11.355","0.005","74","0.005","88.998","0.005","78.074","0.005","898.7","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 Br2 Hg N9 O -","- C12 H11 Br2 Hg N9 O -","- C24 H22 Br4 Hg2 N18 O2 -","2","1","","Zhou, Hong-Ping; Gan, Xiao-Ping; Li, Xian-Lei; Liu, Zhao-Di; Geng, Wen-Qian; Zhou, Fei-Xia; Ke, Wei-Zai; Wang, Peng; Kong, Lin; Hao, Fu-Ying; Wu, Jie-Ying; Tian, Yu-Peng","Anion-Induced Assembly of Five-Coordinated Mercury(II) Complexes and Density Functional Theory Calculations to Study Bond Dissociation Energies of Long Hg−N Bonds","Crystal Growth & Design","2010","10","4","1767","","10.1021/cg901453a","","","0.71069","MoKα","","0.0447","0.0318","","","0.0667","0.0728","","","","","","1.036","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4502611","7.595","0.005","10.433","0.005","12.072","0.005","94.625","0.005","92.903","0.005","100.386","0.005","935.8","0.9","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Cl6 Hg3 N18 O2 -","- C24 H22 Cl6 Hg3 N18 O2 -","- C24 H22 Cl6 Hg3 N18 O2 -","1","0.5","","Zhou, Hong-Ping; Gan, Xiao-Ping; Li, Xian-Lei; Liu, Zhao-Di; Geng, Wen-Qian; Zhou, Fei-Xia; Ke, Wei-Zai; Wang, Peng; Kong, Lin; Hao, Fu-Ying; Wu, Jie-Ying; Tian, Yu-Peng","Anion-Induced Assembly of Five-Coordinated Mercury(II) Complexes and Density Functional Theory Calculations to Study Bond Dissociation Energies of Long Hg−N Bonds","Crystal Growth & Design","2010","10","4","1767","","10.1021/cg901453a","","","0.71069","MoKα","","0.0325","0.0257","","","0.0726","0.0768","","","","","","0.893","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502612","18.617","0.004","4.2375","0.0008","14.979","0.003","90","","93.8","0.002","90","","1179.1","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 Cd I2 N4 -","- C6 H8 Cd I2 N4 -","- C24 H32 Cd4 I8 N16 -","4","0.5","","Zhou, Hong-Ping; Gan, Xiao-Ping; Li, Xian-Lei; Liu, Zhao-Di; Geng, Wen-Qian; Zhou, Fei-Xia; Ke, Wei-Zai; Wang, Peng; Kong, Lin; Hao, Fu-Ying; Wu, Jie-Ying; Tian, Yu-Peng","Anion-Induced Assembly of Five-Coordinated Mercury(II) Complexes and Density Functional Theory Calculations to Study Bond Dissociation Energies of Long Hg−N Bonds","Crystal Growth & Design","2010","10","4","1767","","10.1021/cg901453a","","","0.71073","MoKα","","0.0307","0.0268","","","0.0607","0.0626","","","","","","1.096","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502613","8.474","0.003","6.71","0.003","14.387","0.005","90","","90","","90","","818.1","0.5","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C6 H9 N3 O3 -","- C6 H10 N3 O3 -","- C24 H40 N12 O12 -","4","0.5","","Zhou, Hong-Ping; Gan, Xiao-Ping; Li, Xian-Lei; Liu, Zhao-Di; Geng, Wen-Qian; Zhou, Fei-Xia; Ke, Wei-Zai; Wang, Peng; Kong, Lin; Hao, Fu-Ying; Wu, Jie-Ying; Tian, Yu-Peng","Anion-Induced Assembly of Five-Coordinated Mercury(II) Complexes and Density Functional Theory Calculations to Study Bond Dissociation Energies of Long Hg−N Bonds","Crystal Growth & Design","2010","10","4","1767","","10.1021/cg901453a","","","0.71073","MoKα","","0.0653","0.0494","","","0.1287","0.1392","","","","","","1.048","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502614","21.28","0.005","17.438","0.005","17.597","0.005","90","0.005","92.899","0.005","90","0.005","6522","3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H24 Br2 Cl3 Hg N5 -","- C33 H24 Br2 Cl3 Hg N5 -","- C264 H192 Br16 Cl24 Hg8 N40 -","8","1","","Zhou, Hong-Ping; Gan, Xiao-Ping; Li, Xian-Lei; Liu, Zhao-Di; Geng, Wen-Qian; Zhou, Fei-Xia; Ke, Wei-Zai; Wang, Peng; Kong, Lin; Hao, Fu-Ying; Wu, Jie-Ying; Tian, Yu-Peng","Anion-Induced Assembly of Five-Coordinated Mercury(II) Complexes and Density Functional Theory Calculations to Study Bond Dissociation Energies of Long Hg−N Bonds","Crystal Growth & Design","2010","10","4","1767","","10.1021/cg901453a","","","0.71069","MoKα","","0.1193","0.0522","","","0.1333","0.178","","","","","","0.958","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502615","9.4627","0.0019","10.885","0.002","30.098","0.006","90","","90","","90","","3100.1","1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H43 N O5 -","- C38 H43 N O5 -","- C152 H172 N4 O20 -","4","1","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.0544","0.0359","","","0.0713","0.079","","","","","","1.052","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502616","9.4873","0.0007","10.8215","0.0008","30.028","0.002","90","","90","","90","","3082.9","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38.27 H41.93 N O4.73 -","- C38.268 H41.928 N O4.732 -","- C153.072 H167.712 N4 O18.928 -","4","1","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.0514","0.0395","","","0.0813","0.0866","","","","","","1.024","","","","has coordinates,has disorder","179557","2020-10-21","18:00:00",""
"4502617","9.5206","0.0019","10.814","0.002","30.045","0.006","90","","90","","90","","3093.3","1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38.41 H41.38 N O4.59 -","- C38.405 H41.38 N O4.595 -","- C153.62 H165.52 N4 O18.38 -","4","1","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.0929","0.0754","","","0.1944","0.2079","","","","","","1.087","","","","has coordinates,has disorder","179557","2020-10-21","18:00:00",""
"4502618","9.5238","0.0019","10.796","0.002","30.015","0.006","90","","90","","90","","3086.1","1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38.43 H41.27 N O4.57 -","- C38.432 H41.272 N O4.568 -","- C153.728 H165.088 N4 O18.272 -","4","1","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.135","0.0596","","","0.111","0.1382","","","","","","1.053","","","","has coordinates,has disorder","179557","2020-10-21","18:00:00",""
"4502619","9.5454","0.0019","10.768","0.002","29.994","0.006","90","","90","","90","","3082.9","1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38.35 H40.6 N O4.45 -","- C38.35 H40.6 N O4.45 -","- C153.4 H162.4 N4 O17.8 -","4","1","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.052","0.0396","","","0.0867","0.0923","","","","","","1.025","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4502620","9.5522","0.0019","10.754","0.002","29.983","0.006","90","","90","","90","","3080","1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38.61 H40.56 N O4.39 -","- C38.609 H40.564 N O4.391 -","- C154.436 H162.256 N4 O17.564 -","4","1","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.0622","0.0423","","","0.0919","0.1003","","","","","","1.04","","","","has coordinates,has disorder","179557","2020-10-21","18:00:00",""
"4502621","9.565","0.0019","10.719","0.002","30.019","0.006","90","","90","","90","","3077.8","1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38.72 H40.14 N O4.29 -","- C38.715 H40.14 N O4.285 -","- C154.86 H160.56 N4 O17.14 -","4","1","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.0707","0.0456","","","0.0948","0.106","","","","","","1.068","","","","has coordinates,has disorder","179557","2020-10-21","18:00:00",""
"4502622","9.6131","0.0019","10.693","0.002","29.899","0.006","90","","90","","90","","3073.4","1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H39 N O4 -","- C39 H39 N O4 -","- C156 H156 N4 O16 -","4","1","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.0673","0.0391","","","0.0729","0.0816","","","","","","0.99","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502623","9.215","0.001","10.1581","0.001","17.6752","0.0018","90","","98.338","0.002","90","","1637","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H45 N O4 -","- C38 H45 N O4 -","- C76 H90 N2 O8 -","2","1","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.0672","0.0399","","","0.0779","0.0865","","","","","","1.008","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502624","9.2204","0.0011","10.1463","0.0012","17.6623","0.0019","90","","98.367","0.002","90","","1634.8","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H45 N O4 -","- C38 H45 N O4 -","- C76 H90 N2 O8 -","2","1","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.0831","0.0755","","","0.1964","0.2015","","","","","","1.064","","","","has coordinates,has disorder","179557","2020-10-21","18:00:00",""
"4502625","9.2286","0.0018","10.155","0.002","17.675","0.004","90","","98.49","0.03","90","","1638.3","0.6","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H45 N O4 -","- C38 H45 N O4 -","- C76 H90 N2 O8 -","2","1","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.1034","0.0629","","","0.1335","0.1544","","","","","","1.02","","","","has coordinates,has disorder","179557","2020-10-21","18:00:00",""
"4502626","9.2198","0.0005","10.1527","0.0005","17.6639","0.0009","90","","98.411","0.001","90","","1635.66","0.15","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H45 N O4 -","- C38 H45 N O4 -","- C76 H90 N2 O8 -","2","1","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.0577","0.055","","","0.1425","0.1456","","","","","","1.044","","","","has coordinates,has disorder","179557","2020-10-21","18:00:00",""
"4502627","9.6044","0.001","10.0619","0.001","17.0355","0.0017","95.742","0.002","95.857","0.002","96.396","0.002","1617.1","0.3","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C37.99 H44.98 N O4 -","- C38.002 H45.0055 N1.0005 O4 -","- C76.004 H90.011 N2.001 O8 -","2","2","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.0483","0.0466","","","0.1156","0.1172","","","","","","1.078","","","","has coordinates,has disorder","179557","2020-10-21","18:00:00",""
"4502628","9.6099","0.0019","10.045","0.002","17.095","0.003","95.83","0.03","95.94","0.03","96.29","0.03","1620.8","0.6","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C38 H45 N O4 -","- C38 H45 N O4 -","- C76 H90 N2 O8 -","2","2","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.081","0.0667","","","0.1763","0.1907","","","","","","1.033","","","","has coordinates,has disorder","179557","2020-10-21","18:00:00",""
"4502629","9.6052","0.0019","10.016","0.002","17.15","0.003","96","0.03","96.1","0.03","96.24","0.03","1619.6","0.6","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C38 H45.01 N O4 -","- C38 H45 N O4 -","- C76 H90 N2 O8 -","2","2","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.0819","0.0539","","","0.1133","0.1284","","","","","","1.096","","","","has coordinates,has disorder","179557","2020-10-21","18:00:00",""
"4502630","9.5967","0.0015","10.0115","0.0016","17.121","0.003","95.915","0.003","95.964","0.003","96.158","0.004","1615.7","0.5","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C38.01 H45.01 N O4 -","- C38.004 H45.011 N1.001 O4 -","- C76.008 H90.022 N2.002 O8 -","2","2","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.0384","0.0373","","","0.0972","0.0996","","","","","","1.109","","","","has coordinates,has disorder","179557","2020-10-21","18:00:00",""
"4502631","9.5948","0.0019","10.023","0.002","17.167","0.003","96.05","0.03","96.03","0.03","96.08","0.03","1621.2","0.6","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C38 H45 N O4 -","- C38 H45 N O4 -","- C76 H90 N2 O8 -","2","2","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.0771","0.0527","","","0.1087","0.1224","","","","","","1.083","","","","has coordinates,has disorder","179557","2020-10-21","18:00:00",""
"4502632","9.5998","0.0019","9.999","0.002","17.209","0.003","96.1","0.03","96.06","0.03","95.99","0.03","1622.1","0.6","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C38 H45 N O4 -","- C38 H45 N O4 -","- C76 H90 N2 O8 -","2","2","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.0916","0.0543","","","0.0971","0.1145","","","","","","1.084","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502633","9.1155","0.0018","15.942","0.003","21.279","0.004","90","","90","","90","","3092.2","1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H41 N O4 -","- C35 H41 N O4 -","- C140 H164 N4 O16 -","4","1","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.057","0.0397","","","0.0812","0.0891","","","","","","1.122","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502634","9.455","0.0019","9.5932","0.0019","17.305","0.004","79.77","0.03","82.42","0.03","78.96","0.03","1508.3","0.6","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C35 H41 N O4 -","- C35 H41 N O4 -","- C70 H82 N2 O8 -","2","2","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.0763","0.0544","","","0.1292","0.1416","","","","","","1.069","","","","has coordinates,has disorder","179557","2020-10-21","18:00:00",""
"4502635","9.4566","0.0019","9.5969","0.0019","17.291","0.004","79.52","0.03","82.37","0.03","78.99","0.03","1506.8","0.6","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C35 H41 N O4 -","- C35 H41 N O4 -","- C70 H82 N2 O8 -","2","2","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.0508","0.0484","","","0.1312","0.1339","","","","","","1.036","","","","has coordinates,has disorder","179557","2020-10-21","18:00:00",""
"4502636","9.4566","0.0019","9.5969","0.0019","17.291","0.004","79.52","0.03","82.37","0.03","78.99","0.03","1506.8","0.6","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C35 H41 N O4 -","- C35 H41 N O4 -","- C70 H82 N2 O8 -","2","2","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.0789","0.0559","","","0.1275","0.1414","","","","","","1.028","","","","has coordinates,has disorder","179557","2020-10-21","18:00:00",""
"4502637","9.456","0.0012","9.5766","0.0012","17.197","0.002","79.13","0.003","82.298","0.003","79.182","0.003","1494.3","0.3","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C35 H41 N O4 -","- C35 H41 N O4 -","- C70 H82 N2 O8 -","2","2","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.0503","0.0462","","","0.1146","0.118","","","","","","1.043","","","","has coordinates,has disorder","179557","2020-10-21","18:00:00",""
"4502638","9.4717","0.0019","9.5866","0.0019","17.224","0.003","79.03","0.03","82.24","0.03","79.19","0.03","1500.1","0.5","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C35 H41 N O4 -","- C35 H41 N O4 -","- C70 H82 N2 O8 -","2","2","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.0897","0.0552","","","0.1211","0.1406","","","","","","1.028","","","","has coordinates,has disorder","179557","2020-10-21","18:00:00",""
"4502639","9.4826","0.0019","9.5895","0.0019","17.251","0.004","79.1","0.03","82.23","0.03","79.17","0.03","1504.9","0.6","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C35 H41 N O4 -","- C35 H41 N O4 -","- C70 H82 N2 O8 -","2","2","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.0904","0.0523","","","0.1135","0.131","","","","","","1.028","","","","has coordinates,has disorder","179557","2020-10-21","18:00:00",""
"4502640","9.4671","0.0019","9.5797","0.0019","17.187","0.003","78.99","0.03","82.17","0.03","79.16","0.03","1494.6","0.5","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C35 H41 N O4 -","- C35.004 H41.011 N1.001 O4 -","- C70.008 H82.022 N2.002 O8 -","2","2","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.0899","0.0521","","","0.0981","0.1131","","","","","","1.03","","","","has coordinates,has disorder","179557","2020-10-21","18:00:00",""
"4502641","9.4688","0.0019","9.5958","0.0019","17.236","0.003","78.78","0.03","82.12","0.03","79.09","0.03","1500.2","0.5","373","2","373","2","","","","","","","","4","P 1","P 1","1","","","","- C35 H41 N O4 -","- C35 H41 N O4 -","- C70 H82 N2 O8 -","2","2","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.0507","0.0382","","","0.0816","0.0881","","","","","","1.063","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502642","7.9678","0.0007","18.85","0.002","19.575","0.002","90","","90","","90","","2940","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H9 Na3 O13 S3 -","- C6 H9 Na3 O13 S3 -","- C48 H72 Na24 O104 S24 -","8","1","","Yi, Fei-Yan; Lin, Qi-Pu; Zhou, Tian-Hua; Mao, Jiang-Gao","A Series of Novel Lanthanide(III) Trisulfonates Based on Dinuclear Clusters","Crystal Growth & Design","2010","10","4","1788","","10.1021/cg901463f","","","0.71073","MoKα","","0.0828","0.0651","","","0.1314","0.1404","","","","","","1.158","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502643","14.135","0.006","19.972","0.008","24.824","0.011","90","","101.896","0.006","90","","6857","5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H31 La N4 O19 S3 -","- C30 H18 La N4 O16 S3 -","- C240 H144 La8 N32 O128 S24 -","8","1","","Yi, Fei-Yan; Lin, Qi-Pu; Zhou, Tian-Hua; Mao, Jiang-Gao","A Series of Novel Lanthanide(III) Trisulfonates Based on Dinuclear Clusters","Crystal Growth & Design","2010","10","4","1788","","10.1021/cg901463f","","","0.71073","MoKα","","0.0734","0.0577","","","0.1109","0.1198","","","","","","1.111","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502644","12.242","0.003","12.294","0.003","24.712","0.005","95.712","0.002","98.193","0.002","106.122","0.002","3498.5","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H65 N8 O33.5 Pr2 S6 -","- C60 H36 N8 O33.5 Pr2 S6 -","- C120 H72 N16 O67 Pr4 S12 -","2","1","","Yi, Fei-Yan; Lin, Qi-Pu; Zhou, Tian-Hua; Mao, Jiang-Gao","A Series of Novel Lanthanide(III) Trisulfonates Based on Dinuclear Clusters","Crystal Growth & Design","2010","10","4","1788","","10.1021/cg901463f","","","0.71073","MoKα","","0.0592","0.0463","","","0.1063","0.1148","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502645","12.236","0.0008","12.2911","0.0008","24.7127","0.0014","95.758","0.002","98.187","0.002","106.138","0.003","3495.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H65 N8 Nd2 O33.5 S6 -","- C60 H36 N8 Nd2 O33.5 S6 -","- C120 H72 N16 Nd4 O67 S12 -","2","1","","Yi, Fei-Yan; Lin, Qi-Pu; Zhou, Tian-Hua; Mao, Jiang-Gao","A Series of Novel Lanthanide(III) Trisulfonates Based on Dinuclear Clusters","Crystal Growth & Design","2010","10","4","1788","","10.1021/cg901463f","","","0.71073","MoKα","","0.1013","0.0685","","","0.1597","0.1837","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502646","14.788","0.003","19.547","0.004","25.031","0.005","90","","101.383","0.003","90","","7093","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H62 Eu2 N8 O32 S6 -","- C60 H36 Eu2 N8 O32 S6 -","- C240 H144 Eu8 N32 O128 S24 -","4","1","","Yi, Fei-Yan; Lin, Qi-Pu; Zhou, Tian-Hua; Mao, Jiang-Gao","A Series of Novel Lanthanide(III) Trisulfonates Based on Dinuclear Clusters","Crystal Growth & Design","2010","10","4","1788","","10.1021/cg901463f","","","0.71073","MoKα","","0.0674","0.055","","","0.1192","0.1267","","","","","","1.102","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502647","14.766","0.004","19.555","0.005","25.009","0.007","90","","101.368","0.004","90","","7080","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H62 N8 O32 S6 Tb2 -","- C60 H36 N8 O32 S6 Tb2 -","- C240 H144 N32 O128 S24 Tb8 -","4","1","","Yi, Fei-Yan; Lin, Qi-Pu; Zhou, Tian-Hua; Mao, Jiang-Gao","A Series of Novel Lanthanide(III) Trisulfonates Based on Dinuclear Clusters","Crystal Growth & Design","2010","10","4","1788","","10.1021/cg901463f","","","0.71073","MoKα","","0.0854","0.0648","","","0.1366","0.1495","","","","","","1.141","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502648","10.6064","0.0007","13.4107","0.0006","22.5667","0.0013","90","","102.055","0.003","90","","3139.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 N4 Nd O12 S3 -","- C30 H21 N4 Nd O12 S3 -","- C120 H84 N16 Nd4 O48 S12 -","4","1","","Yi, Fei-Yan; Lin, Qi-Pu; Zhou, Tian-Hua; Mao, Jiang-Gao","A Series of Novel Lanthanide(III) Trisulfonates Based on Dinuclear Clusters","Crystal Growth & Design","2010","10","4","1788","","10.1021/cg901463f","","","0.71073","MoKα","","0.0608","0.046","","","0.0817","0.088","","","","","","1.073","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502649","13.8708","0.0006","13.9437","0.0004","25.2801","0.0009","90","","110.031","0.002","90","","4593.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H38 N6 Ni O18 -","- C50 H38 N6 Ni O18 -","- C200 H152 N24 Ni4 O72 -","4","1","","Sun, Ming-Ling; Zhang, Lei; Lin, Qi-Pu; Zhang, Jian; Yao, Yuan-Gen","Visible Concentration-Sensitive Structural Transformation","Crystal Growth & Design","2010","10","4","1464","","10.1021/cg901468d","","","0.71073","MoKα","","0.0487","0.0419","","","0.139","0.1473","","","","","","1.07","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502650","9.8074","0.0018","12.558","0.003","14.492","0.003","99.228","0.012","106.804","0.009","110.289","0.008","1533.6","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H29 Cl N4 Ni O12 -","- C30 H29 Cl N4 Ni O12 -","- C60 H58 Cl2 N8 Ni2 O24 -","2","1","","Sun, Ming-Ling; Zhang, Lei; Lin, Qi-Pu; Zhang, Jian; Yao, Yuan-Gen","Visible Concentration-Sensitive Structural Transformation","Crystal Growth & Design","2010","10","4","1464","","10.1021/cg901468d","","","0.71073","MoKα","","0.0518","0.0399","","","0.0836","0.0913","","","","","","1.013","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502651","13.881","0.004","13.961","0.004","25.285","0.006","90","","110.028","0.013","90","","4604","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H38 N6 Ni O18 -","- C50 H38 N6 Ni O18 -","- C200 H152 N24 Ni4 O72 -","4","1","","Sun, Ming-Ling; Zhang, Lei; Lin, Qi-Pu; Zhang, Jian; Yao, Yuan-Gen","Visible Concentration-Sensitive Structural Transformation","Crystal Growth & Design","2010","10","4","1464","","10.1021/cg901468d","","","0.71073","MoKα","","0.0914","0.0634","","","0.1386","0.1528","","","","","","1.115","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502652","22.36","0.008","19.782","0.008","4.691","0.002","90","","90","","90","","2074.9","1.4","120","2","120","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C4 H5 N3 O2 -","- C4 H5 N3 O2 -","- C64 H80 N48 O32 -","16","1","","Naik, Anil D.; Dîrtu, Marinela M.; Léonard, Alexandre; Tinant, Bernard; Marchand-Brynaert, Jacqueline; Su, Bao-Lian; Garcia, Yann","Engineering Three-Dimensional Chains of Porous Nanoballs from a 1,2,4-Triazole-carboxylate Supramolecular Synthon","Crystal Growth & Design","2010","10","4","1798","","10.1021/cg901473d","","","0.71069","MoKα","","0.0342","0.0341","","","0.0908","0.0909","","","","","","1.267","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502653","21.037","0.006","21.037","0.006","21.037","0.006","90","","90","","90","","9310","5","120","2","120","2","","","","","","","","7","I -4 3 m","I -4 2 3","217","","","","- C2 H2 B0.25 Cu0.5 F N1.5 O2.17 -","- C2 H2 B0.25 Cu0.5 F N1.5 O2.16667 -","- C96 H96 B12 Cu24 F48 N72 O104 -","48","1","","Naik, Anil D.; Dîrtu, Marinela M.; Léonard, Alexandre; Tinant, Bernard; Marchand-Brynaert, Jacqueline; Su, Bao-Lian; Garcia, Yann","Engineering Three-Dimensional Chains of Porous Nanoballs from a 1,2,4-Triazole-carboxylate Supramolecular Synthon","Crystal Growth & Design","2010","10","4","1798","","10.1021/cg901473d","","","0.71069","MoKα","","0.0647","0.0626","","","0.1683","0.1717","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502654","9.3983","0.0009","9.6279","0.0009","12.6835","0.0012","88.79","0.002","69.026","0.001","66.031","0.002","968.78","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14.4 Cd N4 O6.2 -","- C20 H14.4 Cd N4 O6.2 -","- C40 H28.8 Cd2 N8 O12.4 -","2","1","","Hua, Qin; Zhao, Yue; Xu, Guan-Cheng; Chen, Man-Sheng; Su, Zhi; Cai, Kai; Sun, Wei-Yin","Synthesis, Structures, and Properties of Zinc(II) and Cadmium(II) Complexes with 1,2,4,5-Tetrakis(imidazol-1-ylmethyl)benzene and Multicarboxylate Ligands","Crystal Growth & Design","2010","10","6","2553","","10.1021/cg901480y","","","0.71073","MoKα","","0.0318","0.0305","","","0.0795","0.0804","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502655","17.9766","0.0016","14.0971","0.0016","20.086","0.002","90","","101.539","0.003","90","","4987.3","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H44 Cd3 N8 O15 -","- C46 H44 Cd3 N8 O15 -","- C184 H176 Cd12 N32 O60 -","4","0.5","","Hua, Qin; Zhao, Yue; Xu, Guan-Cheng; Chen, Man-Sheng; Su, Zhi; Cai, Kai; Sun, Wei-Yin","Synthesis, Structures, and Properties of Zinc(II) and Cadmium(II) Complexes with 1,2,4,5-Tetrakis(imidazol-1-ylmethyl)benzene and Multicarboxylate Ligands","Crystal Growth & Design","2010","10","6","2553","","10.1021/cg901480y","","","0.71073","MoKα","","0.0633","0.0451","","","0.0803","0.0858","","","","","","0.936","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502656","20.01","0.002","17.6976","0.0018","14.6712","0.0014","90","","118.955","0.002","90","","4546.1","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 Cd2 N4 O9 -","- C21 H15 Cd2 N4 O9 -","- C168 H120 Cd16 N32 O72 -","8","1","","Hua, Qin; Zhao, Yue; Xu, Guan-Cheng; Chen, Man-Sheng; Su, Zhi; Cai, Kai; Sun, Wei-Yin","Synthesis, Structures, and Properties of Zinc(II) and Cadmium(II) Complexes with 1,2,4,5-Tetrakis(imidazol-1-ylmethyl)benzene and Multicarboxylate Ligands","Crystal Growth & Design","2010","10","6","2553","","10.1021/cg901480y","","","0.71073","MoKα","","0.0387","0.0302","","","0.0616","0.0638","","","","","","0.957","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502657","27.573","0.003","11.0654","0.0012","16.6196","0.0018","90","","119.188","0.002","90","","4426.9","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H28 N8 O17 Zn3 -","- C40 H28 N8 O17 Zn3 -","- C160 H112 N32 O68 Zn12 -","4","0.5","","Hua, Qin; Zhao, Yue; Xu, Guan-Cheng; Chen, Man-Sheng; Su, Zhi; Cai, Kai; Sun, Wei-Yin","Synthesis, Structures, and Properties of Zinc(II) and Cadmium(II) Complexes with 1,2,4,5-Tetrakis(imidazol-1-ylmethyl)benzene and Multicarboxylate Ligands","Crystal Growth & Design","2010","10","6","2553","","10.1021/cg901480y","","","0.71073","MoKα","","0.0828","0.0515","","","0.1037","0.1124","","","","","","0.907","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502658","9.9236","0.0013","11.6713","0.0015","11.9072","0.0016","98.271","0.002","109.803","0.001","99.816","0.002","1248","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N4 O8 Zn2 -","- C23 H21 N4 O8 Zn2 -","- C46 H42 N8 O16 Zn4 -","2","1","","Hua, Qin; Zhao, Yue; Xu, Guan-Cheng; Chen, Man-Sheng; Su, Zhi; Cai, Kai; Sun, Wei-Yin","Synthesis, Structures, and Properties of Zinc(II) and Cadmium(II) Complexes with 1,2,4,5-Tetrakis(imidazol-1-ylmethyl)benzene and Multicarboxylate Ligands","Crystal Growth & Design","2010","10","6","2553","","10.1021/cg901480y","","","0.71073","MoKα","","0.0565","0.0399","","","0.0934","0.0971","","","","","","0.909","","","","has coordinates,has disorder","179557","2020-10-21","18:00:00",""
"4502659","5.5655","0.0003","9.3702","0.0005","11.7543","0.0005","94.321","0.004","96.734","0.004","100.837","0.004","594.91","0.05","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 Mn N8 O2 -","- C24 H12 Mn N8 O2 -","- C24 H12 Mn N8 O2 -","1","0.5","","Abrahams, Brendan F.; Hudson, Timothy A.; Robson, Richard","A New Approach to DCNQI-Based Coordination Polymers via DCNQIH2","Crystal Growth & Design","2010","10","4","1468","","10.1021/cg9015004","","","1.54184","CuKα","","0.0419","0.0418","","","0.1273","0.1274","","","","","","1.177","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4502660","5.6153","0.0003","9.3336","0.0005","13.3398","0.0007","106.03","0.004","93.611","0.004","102.05","0.004","651.73","0.06","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Mn N8 O2 -","- C26 H28 Mn N8 O2 -","- C26 H28 Mn N8 O2 -","1","0.5","","Abrahams, Brendan F.; Hudson, Timothy A.; Robson, Richard","A New Approach to DCNQI-Based Coordination Polymers via DCNQIH2","Crystal Growth & Design","2010","10","4","1468","","10.1021/cg9015004","","","1.54184","CuKα","","0.0621","0.0602","","","0.1536","0.1546","","","","","","1.122","","","","has coordinates,has disorder","179557","2020-10-21","18:00:00",""
"4502661","13.0491","0.0003","30.648","0.0009","30.4249","0.0008","90","","102.12","0.0012","90","","11896.6","0.5","110","2","110","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C40 H30 N11 Nd O11 -","- C40 H30 N11 Nd O11 -","- C320 H240 N88 Nd8 O88 -","8","1","","Lipstman, Sophia; Goldberg, Israel","Porphyrin Framework Solids. Hybrid Supramolecular Assembly Modes of Tetrapyridylporphyrin and Aqua Nitrates of Lanthanoid Ions","Crystal Growth & Design","2010","10","4","1823","","10.1021/cg901505m","","","0.71073","MoKα","","0.1041","0.0682","","","0.1557","0.1658","","","","","","0.993","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502662","12.84","0.0003","30.695","0.0009","30.1003","0.0008","90","","101.55","0.0012","90","","11623","0.5","110","2","110","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C46 H34 Cl2 Gd N11 O11 -","- C46 H34 Cl2 Gd N11 O11 -","- C368 H272 Cl16 Gd8 N88 O88 -","8","1","","Lipstman, Sophia; Goldberg, Israel","Porphyrin Framework Solids. Hybrid Supramolecular Assembly Modes of Tetrapyridylporphyrin and Aqua Nitrates of Lanthanoid Ions","Crystal Growth & Design","2010","10","4","1823","","10.1021/cg901505m","","","0.71073","MoKα","","0.0777","0.0525","","","0.1158","0.1225","","","","","","1.014","","","","has coordinates,has disorder","179557","2020-10-21","18:00:00",""
"4502663","12.8615","0.0003","30.5798","0.0009","30.3077","0.0008","90","","102.06","0.0012","90","","11657","0.5","110","2","110","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C46 H34 Cl2 N11 O11 Tb -","- C46 H34 Cl2 N11 O11 Tb -","- C368 H272 Cl16 N88 O88 Tb8 -","8","1","","Lipstman, Sophia; Goldberg, Israel","Porphyrin Framework Solids. Hybrid Supramolecular Assembly Modes of Tetrapyridylporphyrin and Aqua Nitrates of Lanthanoid Ions","Crystal Growth & Design","2010","10","4","1823","","10.1021/cg901505m","","","0.71073","MoKα","","0.095","0.0599","","","0.1167","0.1246","","","","","","1.036","","","","has coordinates,has disorder","179557","2020-10-21","18:00:00",""
"4502664","6.4267","0.0001","15.3468","0.0004","27.4025","0.0008","74.182","0.001","88.2478","0.001","88.357","0.0011","2598.55","0.11","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H41 Dy N11 O12 -","- C49 H41 Dy N11 O12 -","- C98 H82 Dy2 N22 O24 -","2","1","","Lipstman, Sophia; Goldberg, Israel","Porphyrin Framework Solids. Hybrid Supramolecular Assembly Modes of Tetrapyridylporphyrin and Aqua Nitrates of Lanthanoid Ions","Crystal Growth & Design","2010","10","4","1823","","10.1021/cg901505m","","","0.71073","MoKα","","0.078","0.0486","","","0.1072","0.116","","","","","","0.977","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502665","6.3998","0.0002","15.3018","0.0004","27.5616","0.0008","106.426","0.002","90.924","0.0016","91.4827","0.0011","2587.26","0.13","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H41 N11 O12 Yb -","- C49 H41 N11 O12 Yb -","- C98 H82 N22 O24 Yb2 -","2","1","","Lipstman, Sophia; Goldberg, Israel","Porphyrin Framework Solids. Hybrid Supramolecular Assembly Modes of Tetrapyridylporphyrin and Aqua Nitrates of Lanthanoid Ions","Crystal Growth & Design","2010","10","4","1823","","10.1021/cg901505m","","","0.71073","MoKα","","0.0859","0.0618","","","0.1573","0.1658","","","","","","1.022","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502666","28.6441","0.0003","31.7824","0.0003","12.7953","0.0001","90","","101.827","0.0005","90","","11401.3","0.18","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H32 N11 O12 Yb -","- C40 H32 N11 O12 Yb -","- C320 H256 N88 O96 Yb8 -","8","1","","Lipstman, Sophia; Goldberg, Israel","Porphyrin Framework Solids. Hybrid Supramolecular Assembly Modes of Tetrapyridylporphyrin and Aqua Nitrates of Lanthanoid Ions","Crystal Growth & Design","2010","10","4","1823","","10.1021/cg901505m","","","0.71073","MoKα","","0.0553","0.0392","","","0.0958","0.1009","","","","","","0.975","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502667","14.5187","0.0002","15.036","0.0002","17.8593","0.0002","65.5289","0.0004","89.1791","0.0005","62.7646","0.0005","3080.24","0.07","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H48 Cl6 Dy N11 O12 -","- C60 H48 Cl6 Dy N11 O12 -","- C120 H96 Cl12 Dy2 N22 O24 -","2","1","","Lipstman, Sophia; Goldberg, Israel","Porphyrin Framework Solids. Hybrid Supramolecular Assembly Modes of Tetrapyridylporphyrin and Aqua Nitrates of Lanthanoid Ions","Crystal Growth & Design","2010","10","4","1823","","10.1021/cg901505m","","","0.71073","MoKα","","0.0848","0.0642","","","0.1505","0.1614","","","","","","1.09","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502668","14.5139","0.0002","14.9753","0.0002","17.834","0.0002","65.5496","0.0004","89.3807","0.0005","63.1472","0.0005","3073.17","0.07","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H48 Cl6 N11 O12 Yb -","- C60 H48 Cl6 N11 O12 Yb -","- C120 H96 Cl12 N22 O24 Yb2 -","2","1","","Lipstman, Sophia; Goldberg, Israel","Porphyrin Framework Solids. Hybrid Supramolecular Assembly Modes of Tetrapyridylporphyrin and Aqua Nitrates of Lanthanoid Ions","Crystal Growth & Design","2010","10","4","1823","","10.1021/cg901505m","","","0.71073","MoKα","","0.0412","0.035","","","0.0852","0.088","","","","","","1.027","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502669","16.3656","0.0002","27.4265","0.0003","30.3946","0.0004","90","","90","","90","","13642.7","0.3","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C58 H43 Cl6 N12 O14 Sm -","- C58 H43 Cl6 N12 O14 Sm -","- C464 H344 Cl48 N96 O112 Sm8 -","8","1","","Lipstman, Sophia; Goldberg, Israel","Porphyrin Framework Solids. Hybrid Supramolecular Assembly Modes of Tetrapyridylporphyrin and Aqua Nitrates of Lanthanoid Ions","Crystal Growth & Design","2010","10","4","1823","","10.1021/cg901505m","","","0.71073","MoKα","","0.0826","0.0488","","","0.1201","0.133","","","","","","0.975","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502670","16.9127","0.0002","20.7331","0.0003","14.8833","0.0002","90","","102.169","0.0007","90","","5101.6","0.12","110","2","110","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C48 H38 Cl2 La N13 O16 -","- C48 H38 Cl2 La N13 O16 -","- C192 H152 Cl8 La4 N52 O64 -","4","1","","Lipstman, Sophia; Goldberg, Israel","Porphyrin Framework Solids. Hybrid Supramolecular Assembly Modes of Tetrapyridylporphyrin and Aqua Nitrates of Lanthanoid Ions","Crystal Growth & Design","2010","10","4","1823","","10.1021/cg901505m","","","0.71073","MoKα","","0.0537","0.0474","","","0.1212","0.1256","","","","","","1.042","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502671","20.889","0.001","17.2244","0.0008","13.732","0.0007","90","","97.788","0.001","90","","4895.2","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H56 Co Mo7 N12 O36 -","- C20 H12 Co Mo7 N12 O34.94 -","- C80 H48 Co4 Mo28 N48 O139.76 -","4","0.5","","Arumuganathan, T.; Rao, A. Srinivasa; Das, Samar K.","Polyoxometalate Supported Transition Metal Complexes: Synthesis, Crystal Structures, and Supramolecular Chemistry","Crystal Growth & Design","2010","10","10","4272","","10.1021/cg901507z","","","0.71073","MoKα","","0.044","0.0409","","","0.1072","0.1095","","","","","","1.059","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502672","14.9216","0.0012","19.4883","0.0015","17.2325","0.0013","90","","90","","90","","5011.2","0.7","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H56 Mo7 N8 O38 Zn -","- C20 H16 Mo7 N8 O38 Zn -","- C80 H64 Mo28 N32 O152 Zn4 -","4","0.5","","Arumuganathan, T.; Rao, A. Srinivasa; Das, Samar K.","Polyoxometalate Supported Transition Metal Complexes: Synthesis, Crystal Structures, and Supramolecular Chemistry","Crystal Growth & Design","2010","10","10","4272","","10.1021/cg901507z","","","0.71073","MoKα","","0.0855","0.0847","","","0.1828","0.1831","","","","","","1.296","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502673","18.328","0.004","13.624","0.003","20.406","0.004","90","","96.377","0.003","90","","5063.9","1.9","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C25 H50 Mo7 N10 O32 Zn -","- C25 H25 Mo7 N10 O32 Zn -","- C100 H100 Mo28 N40 O128 Zn4 -","4","1","","Arumuganathan, T.; Rao, A. Srinivasa; Das, Samar K.","Polyoxometalate Supported Transition Metal Complexes: Synthesis, Crystal Structures, and Supramolecular Chemistry","Crystal Growth & Design","2010","10","10","4272","","10.1021/cg901507z","","","0.71073","MoKα","","0.019","0.0188","","","0.0494","0.0495","","","","","","1.096","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502674","18.175","0.0008","13.5872","0.0008","20.3409","0.001","90","","96.482","0.001","90","","4991","0.4","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C25 H50 Co Mo7 N10 O32 -","- C25 H26 Co Mo7 N10 O32 -","- C100 H104 Co4 Mo28 N40 O128 -","4","1","","Arumuganathan, T.; Rao, A. Srinivasa; Das, Samar K.","Polyoxometalate Supported Transition Metal Complexes: Synthesis, Crystal Structures, and Supramolecular Chemistry","Crystal Growth & Design","2010","10","10","4272","","10.1021/cg901507z","","","0.71073","MoKα","","0.0202","0.0201","","","0.0545","0.0546","","","","","","1.103","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502675","20.377","0.009","10.406","0.005","21.189","0.009","90","","98.383","0.007","90","","4445","3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H40 Mo8 N12 O31 Zn -","- C20 H32 Mo8 N12 O31 Zn -","- C80 H128 Mo32 N48 O124 Zn4 -","4","0.5","","Arumuganathan, T.; Rao, A. Srinivasa; Das, Samar K.","Polyoxometalate Supported Transition Metal Complexes: Synthesis, Crystal Structures, and Supramolecular Chemistry","Crystal Growth & Design","2010","10","10","4272","","10.1021/cg901507z","","","0.71073","MoKα","","0.0524","0.0473","","","0.1325","0.1359","","","","","","1.066","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502676","7.7552","0.0016","14.875","0.003","14.587","0.003","90","","99.28","0.03","90","","1660.7","0.6","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Form I 1:1 cocrystal of ethenzamide and 3,5-dinitrobenzoic acid","Form I 1:1 cocrystal of ethenzamide and 3,5-dinitrobenzoic acid","","- C16 H15 N3 O8 -","- C16 H15 N3 O8 -","- C64 H60 N12 O32 -","4","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Polymorphs and Solvates of a Cocrystal Involving an Analgesic Drug, Ethenzamide, and 3,5-Dinitrobenzoic Acid","Crystal Growth & Design","2010","10","5","2229","","10.1021/cg9015178","","","0.71073","MoKα","","0.0554","0.0544","","","0.1334","0.1342","","","","","","1.166","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502677","7.3269","0.0015","9.952","0.002","11.855","0.002","85.17","0.03","74.65","0.03","87.56","0.03","830.5","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","Form II 1:1 cocrystal of ethenzamide and 3,5-dinitrobenzoic acid","Form II 1:1 cocrystal of ethenzamide and 3,5-dinitrobenzoic acid","","- C16 H15 N3 O8 -","- C16 H15 N3 O8 -","- C32 H30 N6 O16 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Polymorphs and Solvates of a Cocrystal Involving an Analgesic Drug, Ethenzamide, and 3,5-Dinitrobenzoic Acid","Crystal Growth & Design","2010","10","5","2229","","10.1021/cg9015178","","","0.71073","MoKα","","0.0799","0.0762","","","0.2061","0.2106","","","","","","1.198","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502678","7.6784","0.0015","8.172","0.0016","15.642","0.003","103.82","0.03","91.93","0.03","100.39","0.03","934.4","0.4","110","2","110","2","","","","","","","","4","P -1","-P 1","2","0.5 acetone solvate of 1:1 cocrystal of ethenzamide and 3,5-dinitrobenzoic acid","0.5 acetone solvate of 1:1 cocrystal of ethenzamide and 3,5-dinitrobenzoic acid","","- C35 H36 N6 O17 -","- C35 H36 N6 O17 -","- C35 H36 N6 O17 -","1","0.5","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Polymorphs and Solvates of a Cocrystal Involving an Analgesic Drug, Ethenzamide, and 3,5-Dinitrobenzoic Acid","Crystal Growth & Design","2010","10","5","2229","","10.1021/cg9015178","","","0.71073","MoKα","","0.0656","0.0606","","","0.1549","0.1597","","","","","","1.128","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502679","7.6623","0.0015","8.3247","0.0017","15.362","0.003","99.74","0.03","91.75","0.03","102.04","0.03","942.3","0.4","160","2","160","2","","","","","","","","4","P -1","-P 1","2","0.5 dioxane solvate of 1:1 cocrystal of ethenzamide and 3,5-dinitrobenzoic acid","0.5 dioxane solvate of 1:1 cocrystal of ethenzamide and 3,5-dinitrobenzoic acid","","- C18 H19 N3 O9 -","- C18 H19 N3 O9 -","- C36 H38 N6 O18 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Polymorphs and Solvates of a Cocrystal Involving an Analgesic Drug, Ethenzamide, and 3,5-Dinitrobenzoic Acid","Crystal Growth & Design","2010","10","5","2229","","10.1021/cg9015178","","","0.71073","MoKα","","0.0787","0.074","","","0.2062","0.2118","","","","","","1.133","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502680","7.6358","0.0015","8.3248","0.0017","15.291","0.003","99.5","0.03","91.41","0.03","102.29","0.03","934.9","0.4","110","2","110","2","","","","","","","","4","P -1","-P 1","2","0.5 thf solvate of 1:1 cocrystal of ethenzamide and 3,5-dinitrobenzoic acid","0.5 thf solvate of 1:1 cocrystal of ethenzamide and 3,5-dinitrobenzoic acid","","- C36 H38 N6 O17 -","- C36 H38 N6 O17 -","- C36 H38 N6 O17 -","1","0.5","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Polymorphs and Solvates of a Cocrystal Involving an Analgesic Drug, Ethenzamide, and 3,5-Dinitrobenzoic Acid","Crystal Growth & Design","2010","10","5","2229","","10.1021/cg9015178","","","0.71073","MoKα","","0.0604","0.0569","","","0.1574","0.1643","","","","","","1.143","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502681","7.5321","0.0015","8.5532","0.0017","16.039","0.003","105.44","0.03","92.71","0.03","103.57","0.03","961.5","0.4","110","2","110","2","","","","","","","","4","P -1","-P 1","2","Toluene solvate of 1:1 cocrystal of ethenzamide and 3,5-dinitrobenzoic acid","Toluene solvate of 1:1 cocrystal of ethenzamide and 3,5-dinitrobenzoic acid","","- C16 H15 N3 O8 -","- C16 H15 N3 O8 -","- C32 H30 N6 O16 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Polymorphs and Solvates of a Cocrystal Involving an Analgesic Drug, Ethenzamide, and 3,5-Dinitrobenzoic Acid","Crystal Growth & Design","2010","10","5","2229","","10.1021/cg9015178","","","0.71073","MoKα","","0.0663","0.0626","","","0.1998","0.2028","","","","","","1.092","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502682","7.663","0.003","8.193","0.003","15.83","0.006","74.952","0.015","82.419","0.015","80.051","0.017","941.4","0.6","110","2","110","2","","","","","","","","4","P -1","-P 1","2","Acetonitrile solvate of 1:1 cocrystal of ethenzamide and 3,5-dinitrobenzoic acid","Acetonitrile solvate of 1:1 cocrystal of ethenzamide and 3,5-dinitrobenzoic acid","","- C16 H15 N3 O8 -","- C16 H15 N3 O8 -","- C32 H30 N6 O16 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Polymorphs and Solvates of a Cocrystal Involving an Analgesic Drug, Ethenzamide, and 3,5-Dinitrobenzoic Acid","Crystal Growth & Design","2010","10","5","2229","","10.1021/cg9015178","","","0.71075","MoKα","","0.1203","0.0804","","","0.1901","0.2145","","","","","","1.105","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502683","7.6503","0.0015","8.1921","0.0016","15.81","0.003","104.91","0.03","92.45","0.03","99.99","0.03","939","0.4","110","2","110","2","","","","","","","","4","P -1","-P 1","2","Ethylacetate solvate of 1:1 cocrystal of ethenzamide and 3,5-dinitrobenzoic acid","Ethylacetate solvate of 1:1 cocrystal of ethenzamide and 3,5-dinitrobenzoic acid","","- C16 H15 N3 O8 -","- C16 H15 N3 O8 -","- C32 H30 N6 O16 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Polymorphs and Solvates of a Cocrystal Involving an Analgesic Drug, Ethenzamide, and 3,5-Dinitrobenzoic Acid","Crystal Growth & Design","2010","10","5","2229","","10.1021/cg9015178","","","0.71073","MoKα","","0.0737","0.0634","","","0.1583","0.1659","","","","","","1.121","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502684","7.5327","0.0015","8.4169","0.0017","15.847","0.003","103.47","0.03","93.06","0.03","101.52","0.03","952.1","0.4","110","2","110","2","","","","","","","","4","P -1","-P 1","2","p-xylene solvate of 1:1 cocrystal of ethenzamide and 3,5-dinitrobenzoic acid","p-xylene solvate of 1:1 cocrystal of ethenzamide and 3,5-dinitrobenzoic acid","","- C16 H15 N3 O8 -","- C16 H15 N3 O8 -","- C32 H30 N6 O16 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Polymorphs and Solvates of a Cocrystal Involving an Analgesic Drug, Ethenzamide, and 3,5-Dinitrobenzoic Acid","Crystal Growth & Design","2010","10","5","2229","","10.1021/cg9015178","","","0.71073","MoKα","","0.0578","0.0547","","","0.1715","0.1747","","","","","","1.08","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502685","7.5121","0.0015","11.316","0.002","28.712","0.006","90","","90.68","0.03","90","","2440.5","0.8","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Mesitylene solvate of 1:1 cocrystal of ethenzamide and 3,5-dinitrobenzoic acid","Mesitylene solvate of 1:1 cocrystal of ethenzamide and 3,5-dinitrobenzoic acid","","- C25 H27 N3 O8 -","- C25 H27 N3 O8 -","- C100 H108 N12 O32 -","4","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Polymorphs and Solvates of a Cocrystal Involving an Analgesic Drug, Ethenzamide, and 3,5-Dinitrobenzoic Acid","Crystal Growth & Design","2010","10","5","2229","","10.1021/cg9015178","","","0.71073","MoKα","","0.0975","0.0858","","","0.2173","0.2309","","","","","","1.195","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502686","8.4584","0.0004","11.7116","0.0005","22.0485","0.0014","90","","90","","90","","2184.2","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[bnlH]2[Cu(II)(mal)2(H2O)2]","[bnlH]2[Cu(II)(mal)2(H2O)2]","","- C20 H28 Cu N2 O10 -","- C20 H28 Cu N2 O10 -","- C80 H112 Cu4 N8 O40 -","4","1","","Keene, Tony D.; Zimmermann, Iwan; Neels, Antonia; Sereda, Olha; Hauser, Jürg; Liu, Shi-Xia; Decurtins, Silvio","Crystal Engineering of a Series of Arylammonium Copper(II) Malonates","Crystal Growth & Design","2010","10","4","1854","","10.1021/cg9015349","","","0.71073","MoKα","","0.0289","0.0275","","","0.0707","0.0713","","","","","","1.035","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502687","11.767","0.003","8.4377","0.0013","12.631","0.003","90","","93.202","0.019","90","","1252.1","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","[S-mbnlH]2[Cu(II)(mal)2(H2O)2]","[S-mbnlH]2[Cu(II)(mal)2(H2O)2]","","- C22 H32 Cu N2 O10 -","- C22 H32 Cu N2 O10 -","- C44 H64 Cu2 N4 O20 -","2","1","","Keene, Tony D.; Zimmermann, Iwan; Neels, Antonia; Sereda, Olha; Hauser, Jürg; Liu, Shi-Xia; Decurtins, Silvio","Crystal Engineering of a Series of Arylammonium Copper(II) Malonates","Crystal Growth & Design","2010","10","4","1854","","10.1021/cg9015349","","","0.71073","MoKα","","0.1035","0.0663","","","0.1614","0.1726","","","","","","0.861","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502688","8.4479","0.0007","11.675","0.001","13.1173","0.0011","88.503","0.01","72.584","0.009","88.84","0.01","1233.91","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","[4-mbnlH]2[Cu(II)(mal)2(H2O)2]","[4-mbnlH]2[Cu(II)(mal)2(H2O)2]","","- C22 H32 Cu N2 O10 -","- C22 H32 Cu N2 O10 -","- C44 H64 Cu2 N4 O20 -","2","1","","Keene, Tony D.; Zimmermann, Iwan; Neels, Antonia; Sereda, Olha; Hauser, Jürg; Liu, Shi-Xia; Decurtins, Silvio","Crystal Engineering of a Series of Arylammonium Copper(II) Malonates","Crystal Growth & Design","2010","10","4","1854","","10.1021/cg9015349","","","0.71073","MoKα","","0.0397","0.0283","","","0.0746","0.0935","","","","","","1.101","","","","has coordinates,has disorder","179557","2020-10-21","18:00:00",""
"4502689","13.8639","0.0006","8.2453","0.0004","11.7648","0.0005","90","","102.544","0.002","90","","1312.76","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[4-cbnlH]2[Cu(II)(mal)2(H2O)2]","[4-cbnlH]2[Cu(II)(mal)2(H2O)2]","","- C22 H28 Cu N2 O14 -","- C22 H28 Cu N2 O14 -","- C44 H56 Cu2 N4 O28 -","2","0.5","","Keene, Tony D.; Zimmermann, Iwan; Neels, Antonia; Sereda, Olha; Hauser, Jürg; Liu, Shi-Xia; Decurtins, Silvio","Crystal Engineering of a Series of Arylammonium Copper(II) Malonates","Crystal Growth & Design","2010","10","4","1854","","10.1021/cg9015349","","","0.71073","MoKα","","0.0356","0.0285","","","0.0829","0.0866","","","","","","1.067","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502690","11.887","0.005","8.328","0.005","13.892","0.005","90","","100.635","0.005","90","","1351.6","1.1","173","2","173","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","[4-fmbnlH]2[Cu(mal)2(H2O)2]","[4-fmbnlH]2[Cu(mal)2(H2O)2]","","- C22 H26 Cu F6 N2 O10 -","- C22 H26 Cu F6 N2 O10 -","- C44 H52 Cu2 F12 N4 O20 -","2","0.5","","Keene, Tony D.; Zimmermann, Iwan; Neels, Antonia; Sereda, Olha; Hauser, Jürg; Liu, Shi-Xia; Decurtins, Silvio","Crystal Engineering of a Series of Arylammonium Copper(II) Malonates","Crystal Growth & Design","2010","10","4","1854","","10.1021/cg9015349","","","0.71073","MoKα","","0.0426","0.0309","","","0.0743","0.0778","","","","","","1.014","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502691","11.8944","0.0011","8.3348","0.0006","27.462","0.003","90","","92.964","0.013","90","","2718.9","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[fmobnlH]2[Cu(II)(mal)2(H2O)2]","[fmobnlH]2[Cu(II)(mal)2(H2O)2]","","- C22 H24 Cu F6 N2 O11 -","- C22 H24 Cu F6 N2 O11 -","- C88 H96 Cu4 F24 N8 O44 -","4","1","","Keene, Tony D.; Zimmermann, Iwan; Neels, Antonia; Sereda, Olha; Hauser, Jürg; Liu, Shi-Xia; Decurtins, Silvio","Crystal Engineering of a Series of Arylammonium Copper(II) Malonates","Crystal Growth & Design","2010","10","4","1854","","10.1021/cg9015349","","","0.71073","MoKα","","0.159","0.113","","","0.3001","0.3315","","","","","","1.07","","","","has coordinates,has disorder","179557","2020-10-21","18:00:00",""
"4502692","11.426","0.001","8.3564","0.0005","12.868","0.0012","90","","95.21","0.011","90","","1223.56","0.17","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","[peaH]2[Cu(II)(mal)2(H2O)2]","[peaH]2[Cu(II)(mal)2(H2O)2]","","- C22 H32 Cu N2 O10 -","- C22 H32 Cu N2 O10 -","- C44 H64 Cu2 N4 O20 -","2","1","","Keene, Tony D.; Zimmermann, Iwan; Neels, Antonia; Sereda, Olha; Hauser, Jürg; Liu, Shi-Xia; Decurtins, Silvio","Crystal Engineering of a Series of Arylammonium Copper(II) Malonates","Crystal Growth & Design","2010","10","4","1854","","10.1021/cg9015349","","","0.71073","MoKα","","0.0321","0.0259","","","0.0689","0.0905","","","","","","1.18","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502693","13.839","0.003","8.4833","0.0011","11.722","0.002","90","","113.501","0.015","90","","1262","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[4-fpeaH]2[Cu(mal)2(H2O)2]","[4-fpeaH]2[Cu(mal)2(H2O)2]","","- C22 H30 Cu F2 N2 O10 -","- C22 H30 Cu F2 N2 O10 -","- C44 H60 Cu2 F4 N4 O20 -","2","0.5","","Keene, Tony D.; Zimmermann, Iwan; Neels, Antonia; Sereda, Olha; Hauser, Jürg; Liu, Shi-Xia; Decurtins, Silvio","Crystal Engineering of a Series of Arylammonium Copper(II) Malonates","Crystal Growth & Design","2010","10","4","1854","","10.1021/cg9015349","","","0.71073","MoKα","","0.0888","0.0544","","","0.1236","0.1316","","","","","","0.801","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502694","8.4845","0.0008","8.2544","0.0004","26.994","0.002","90","","93.871","0.011","90","","1886.2","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[daxH2][Cu(II)(mal)2(H2O)].2H2O","[daxH2][Cu(II)(mal)2(H2O)].2H2O","","- C14 H24 Cu N2 O11 -","- C14 H24 Cu N2 O11 -","- C56 H96 Cu4 N8 O44 -","4","1","","Keene, Tony D.; Zimmermann, Iwan; Neels, Antonia; Sereda, Olha; Hauser, Jürg; Liu, Shi-Xia; Decurtins, Silvio","Crystal Engineering of a Series of Arylammonium Copper(II) Malonates","Crystal Growth & Design","2010","10","4","1854","","10.1021/cg9015349","","","0.71073","MoKα","","0.0397","0.0259","","","0.0581","0.0605","","","","","","0.934","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502695","14.359","0.004","7.104","0.002","15.82","0.005","90","","105.42","0.006","90","","1555.6","0.8","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N4 -","- C20 H14 N4 -","- C80 H56 N16 -","4","1","","Varughese, Sunil; Draper, Sylvia M.","Pyridazines in Crystal Engineering. A Systematic Evaluation of the Role of Isomerism and Steric Factors in Determining Crystal Packing and Nano/Microcrystal Morphologies","Crystal Growth & Design","2010","10","6","2571","","10.1021/cg9015383","","","0.71073","MoKα","","0.0743","0.0428","","","0.1041","0.1217","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502696","7.466","0.007","10.534","0.001","38.576","0.004","90","","90","","90","","3034","3","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H14 N4 -","- C20 H14 N4 -","- C160 H112 N32 -","8","1","","Varughese, Sunil; Draper, Sylvia M.","Pyridazines in Crystal Engineering. A Systematic Evaluation of the Role of Isomerism and Steric Factors in Determining Crystal Packing and Nano/Microcrystal Morphologies","Crystal Growth & Design","2010","10","6","2571","","10.1021/cg9015383","","","0.71073","MoKα","","0.0534","0.0382","","","0.0864","0.0939","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502697","35.65","0.005","35.65","0.005","6.306","0.002","90","","90","","120","","6941","3","123","2","123","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C36 H30 N8 O2 -","- C36 H30 N8 O2 -","- C324 H270 N72 O18 -","9","0.5","","Varughese, Sunil; Draper, Sylvia M.","Pyridazines in Crystal Engineering. A Systematic Evaluation of the Role of Isomerism and Steric Factors in Determining Crystal Packing and Nano/Microcrystal Morphologies","Crystal Growth & Design","2010","10","6","2571","","10.1021/cg9015383","","","0.71073","MoKα","","0.0856","0.0705","","","0.1896","0.1982","","","","","","1.134","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502698","11.776","0.001","17.635","0.001","7.598","0.002","90","","106.24","0.001","90","","1514.9","0.4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 N8 O2 -","- C36 H30 N8 O2 -","- C72 H60 N16 O4 -","2","0.5","","Varughese, Sunil; Draper, Sylvia M.","Pyridazines in Crystal Engineering. A Systematic Evaluation of the Role of Isomerism and Steric Factors in Determining Crystal Packing and Nano/Microcrystal Morphologies","Crystal Growth & Design","2010","10","6","2571","","10.1021/cg9015383","","","0.71073","MoKα","","0.0382","0.0362","","","0.0978","0.1003","","","","","","1.02","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502699","9.977","0.007","13.808","0.001","16.792","0.001","92.35","0.003","100.73","0.002","110.86","0.001","2109.3","1.5","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C102 H60 N26 O3 -","- C102 H60 N26 O3 -","- C102 H60 N26 O3 -","1","0.5","","Varughese, Sunil; Draper, Sylvia M.","Pyridazines in Crystal Engineering. A Systematic Evaluation of the Role of Isomerism and Steric Factors in Determining Crystal Packing and Nano/Microcrystal Morphologies","Crystal Growth & Design","2010","10","6","2571","","10.1021/cg9015383","","","0.71073","MoKα","","0.1649","0.0887","","","0.2144","0.2607","","","","","","0.989","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502700","11.3734","0.0018","8.8235","0.0014","21.111","0.003","90","","94.015","0.003","90","","2113.4","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 Ag N2 O4 -","- C23 H23 Ag N2 O4 -","- C92 H92 Ag4 N8 O16 -","4","1","","Yang, Guo-Ping; Wang, Yao-Yu; Liu, Ping; Fu, Ai-Yun; Zhang, Ya-Nan; Jin, Jun-Cheng; Shi, Qi-Zhen","Formation of Three New Silver(I) Coordination Polymers Involving 1,2-Phenylenediacetic Acid via the Modulation of Dipyridyl-Containing Ligands","Crystal Growth & Design","2010","10","3","1443","","10.1021/cg901545k","","","0.71073","MoKα","","0.0976","0.0502","","","0.1125","0.1436","","","","","","1.032","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502701","11.3125","0.0013","11.542","0.0013","13.9032","0.0016","84.266","0.002","82.614","0.002","75.128","0.002","1735.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 Ag2 N4 O9 -","- C34 H38 Ag2 N4 O9 -","- C68 H76 Ag4 N8 O18 -","2","1","","Yang, Guo-Ping; Wang, Yao-Yu; Liu, Ping; Fu, Ai-Yun; Zhang, Ya-Nan; Jin, Jun-Cheng; Shi, Qi-Zhen","Formation of Three New Silver(I) Coordination Polymers Involving 1,2-Phenylenediacetic Acid via the Modulation of Dipyridyl-Containing Ligands","Crystal Growth & Design","2010","10","3","1443","","10.1021/cg901545k","","","0.71073","MoKα","","0.0711","0.0457","","","0.113","0.1305","","","","","","1.042","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502702","10.686","0.002","18.519","0.004","15.891","0.004","90","","106.038","0.004","90","","3022.3","1.2","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Ag2 N4 O8 -","- C30 H32 Ag2 N4 O8 -","- C120 H128 Ag8 N16 O32 -","4","1","","Yang, Guo-Ping; Wang, Yao-Yu; Liu, Ping; Fu, Ai-Yun; Zhang, Ya-Nan; Jin, Jun-Cheng; Shi, Qi-Zhen","Formation of Three New Silver(I) Coordination Polymers Involving 1,2-Phenylenediacetic Acid via the Modulation of Dipyridyl-Containing Ligands","Crystal Growth & Design","2010","10","3","1443","","10.1021/cg901545k","","","0.71073","MoKα","","0.124","0.0664","","","0.153","0.1703","","","","","","0.913","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502703","6.774","0.003","16.667","0.006","10.802","0.004","90","","104.408","0.007","90","","1181.2","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 As2 Cl2 S4 -","- C20 H24 As2 Cl2 S4 -","- C40 H48 As4 Cl4 S8 -","2","0.5","","Cangelosi, Virginia M.; Zakharov, Lev N.; Crossland, Justin L.; Franklin, Broderick C.; Johnson, Darren W.","A Surprising “Folded-In” Conformation of a Self-Assembled Arsenic-Thiolate Macrocycle","Crystal Growth & Design","2010","10","4","1471","","10.1021/cg901552f","","","0.71073","MoKα","","0.0798","0.0538","","","0.1041","0.1148","","","","","","1.097","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502704","16.383","0.002","11.0425","0.0015","13.9697","0.0019","90","","107.116","0.002","90","","2415.3","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 As2 Cl2 S4 -","- C20 H24 As2 Cl2 S4 -","- C80 H96 As8 Cl8 S16 -","4","1","","Cangelosi, Virginia M.; Zakharov, Lev N.; Crossland, Justin L.; Franklin, Broderick C.; Johnson, Darren W.","A Surprising “Folded-In” Conformation of a Self-Assembled Arsenic-Thiolate Macrocycle","Crystal Growth & Design","2010","10","4","1471","","10.1021/cg901552f","","","0.71073","MoKα","","0.0504","0.0386","","","0.0915","0.0994","","","","","","1.05","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502705","8.0622","0.0015","9.73","0.002","10.3214","0.0019","99.927","0.017","104.541","0.017","98.073","0.017","757.5","0.3","298","","293","2","","","","","","","see text","5","P -1","-P 1","2","ANHYDROUS CIPROFLOXACIN","","","- C17 H18 F N3 O3 -","- C17 H18 F N3 O3 -","- C34 H36 F2 N6 O6 -","2","1","","Mahapatra, Sudarshan; Venugopala, K. N.; Guru Row, Tayur N.","A Device to Crystallize Organic Solids: Structure of Ciprofloxacin, Midazolam, and Ofloxacin as Targets","Crystal Growth & Design","2010","10","4","1866","","10.1021/cg901565q","","x-ray","0.71073","MoKα","","0.2912","0.072","","","0.1325","0.164","","","","","","0.78","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502706","7.5588","0.0003","13.684","0.0005","15.1242","0.0008","90","","92.497","0.005","90","","1562.88","0.12","298","2","293","2","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","Medazolam","","","- C18 H13 Cl F N3 -","- C18 H13 Cl F N3 -","- C72 H52 Cl4 F4 N12 -","4","1","","Mahapatra, Sudarshan; Venugopala, K. N.; Guru Row, Tayur N.","A Device to Crystallize Organic Solids: Structure of Ciprofloxacin, Midazolam, and Ofloxacin as Targets","Crystal Growth & Design","2010","10","4","1866","","10.1021/cg901565q","","x-ray","0.71073","MoKα","","0.1328","0.0453","","","0.0902","0.1029","","","","","","0.811","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502707","30.322","0.004","6.8607","0.0008","16.9199","0.0016","90","","105.271","0.011","90","","3395.6","0.7","298","2","293","2","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","Anhydrous Ofloxacin","","","- C18 H20 F N3 O4 -","- C18 H20 F N3 O4 -","- C144 H160 F8 N24 O32 -","8","1","","Mahapatra, Sudarshan; Venugopala, K. N.; Guru Row, Tayur N.","A Device to Crystallize Organic Solids: Structure of Ciprofloxacin, Midazolam, and Ofloxacin as Targets","Crystal Growth & Design","2010","10","4","1866","","10.1021/cg901565q","","x-ray","0.71073","MoKα","","0.4321","0.0552","","","0.0752","0.1309","","","","","","0.681","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502708","12.301","0.003","14.738","0.003","13.376","0.003","90","","96.07","0.03","90","","2411.4","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H46 N10 O12 S4 Zn2 -","- C42 H40 N10 O12 S4 Zn2 -","- C84 H80 N20 O24 S8 Zn4 -","2","0.5","","Yu, Qun; Zeng, Yong-Fei; Zhao, Jiong-Peng; Yang, Qian; Bu, Xian-He","Zeolite-like Metal−Organic Framework Based on a Flexible 2-(1H-benzimidazol-2-ylthio)acetic Ligand: Synthesis, Structures, and Properties","Crystal Growth & Design","2010","10","4","1878","","10.1021/cg901571m","","","0.71073","MoKα","","0.1991","0.1086","","","0.1597","0.1874","","","","","","1.139","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502709","8.8322","0.0018","12.596","0.003","17.478","0.003","78.78","0.03","82.53","0.03","89.94","0.03","1890.5","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 N8 O8 S4 Zn2 -","- C36 H28 N8 O8 S4 Zn2 -","- C72 H56 N16 O16 S8 Zn4 -","2","1","","Yu, Qun; Zeng, Yong-Fei; Zhao, Jiong-Peng; Yang, Qian; Bu, Xian-He","Zeolite-like Metal−Organic Framework Based on a Flexible 2-(1H-benzimidazol-2-ylthio)acetic Ligand: Synthesis, Structures, and Properties","Crystal Growth & Design","2010","10","4","1878","","10.1021/cg901571m","","","0.71073","MoKα","","0.1907","0.0921","","","0.1563","0.1898","","","","","","1.051","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502710","9.4427","0.0019","12.638","0.003","8.6742","0.0017","90","","112.48","0.03","90","","956.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cu N4 O4 S2 -","- C18 H14 Cu N4 O4 S2 -","- C36 H28 Cu2 N8 O8 S4 -","2","0.5","","Yu, Qun; Zeng, Yong-Fei; Zhao, Jiong-Peng; Yang, Qian; Bu, Xian-He","Zeolite-like Metal−Organic Framework Based on a Flexible 2-(1H-benzimidazol-2-ylthio)acetic Ligand: Synthesis, Structures, and Properties","Crystal Growth & Design","2010","10","4","1878","","10.1021/cg901571m","","","0.71073","MoKα","","0.0823","0.051","","","0.088","0.0959","","","","","","1.119","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502711","21.393","0.003","21.393","0.003","11.998","0.002","90","","90","","120","","4755.4","1.2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C9 H6 Co N2 O2 S -","- C9 H6 Co N2 O2 S -","- C162 H108 Co18 N36 O36 S18 -","18","1","","Yu, Qun; Zeng, Yong-Fei; Zhao, Jiong-Peng; Yang, Qian; Bu, Xian-He","Zeolite-like Metal−Organic Framework Based on a Flexible 2-(1H-benzimidazol-2-ylthio)acetic Ligand: Synthesis, Structures, and Properties","Crystal Growth & Design","2010","10","4","1878","","10.1021/cg901571m","","","0.71073","MoKα","","0.089","0.0842","","","0.1536","0.1554","","","","","","1.475","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502712","7.277","0.001","10.052","0.002","14.476","0.003","90","","93.71","0.01","90","","1056.7","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","didanosine","2',3'-dideoxyinosine 0.125-hydrate","","- C10 H12.25 N4 O3.125 -","- C10 H12 N4 O3.125 -","- C40 H48 N16 O12.5 -","4","2","","Martins, Felipe T.; Legendre, Alexandre O.; Honorato, Sara B.; Ayala, Alejandro P.; Doriguetto, Antônio C.; Ellena, Javier","Solvothermal Preparation of Drug Crystals: Didanosine","Crystal Growth & Design","2010","10","4","1885","","10.1021/cg9015959","","x-ray","0.71073","MoKα","","0.0945","0.0583","","","0.1269","0.1456","","","","","","1.04","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502713","10.82","0.002","11.416","0.002","12.432","0.003","87.44","0.03","72.45","0.03","70.11","0.03","1373.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Cd4 N2 O15 -","- C24 H18 Cd4 N2 O15 -","- C48 H36 Cd8 N4 O30 -","2","1","","Xu, Xinxin; Zhang, Xia; Liu, Xiaoxia; Sun, Ting; Wang, Enbo","A Unique Optical and Electrical Multifunctional Metal−Organic Framework Based on Polynuclear Rod-Shaped Secondary Building Units Constructed from a “Three Birds with One Stone” in Situ Reaction Process","Crystal Growth & Design","2010","10","5","2272","","10.1021/cg901605j","","","0.71073","MoKα","","0.0446","0.0397","","","0.1564","0.1654","","","","","","1.106","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502714","15.541","0.003","10.139","0.002","19.705","0.004","90","","90","","90","","3104.9","1.1","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C34 H24 Cd2 N4 O8 -","- C34 H24 Cd2 N4 O8 -","- C136 H96 Cd8 N16 O32 -","4","1","","Xu, Xinxin; Zhang, Xia; Liu, Xiaoxia; Sun, Ting; Wang, Enbo","A Unique Optical and Electrical Multifunctional Metal−Organic Framework Based on Polynuclear Rod-Shaped Secondary Building Units Constructed from a “Three Birds with One Stone” in Situ Reaction Process","Crystal Growth & Design","2010","10","5","2272","","10.1021/cg901605j","","","0.71073","MoKα","","0.0481","0.0461","","","0.1441","0.146","","","","","","1.049","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502715","18.503","0.003","19.913","0.003","14.087","0.002","90","","94.604","0.004","90","","5173.6","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H35 Br O2 -","- C29 H35 Br O2 -","- C232 H280 Br8 O16 -","8","2","","Stadler, Adrian-Mihail; Brelot, Lydia","Two in One: A Fréchet-Type Dendron Manifesting Conformational Duality†","Crystal Growth & Design","2010","10","5","2285","","10.1021/cg901622c","","","0.71073","MoKα","","0.181","0.0568","","","0.0999","0.1346","","","","","","0.941","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4506123","9.4027","0.0006","6.2754","0.0003","12.4023","0.0007","90","","98.539","0.003","90","","723.69","0.07","","","173","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C4 H18 Al F5 N10 O3 -","- C4 H18 Al F5 N10 O3 -","- C8 H36 Al2 F10 N20 O6 -","2","1","","Cadiau, A; Le Bail, A; Hemon-Ribaud, A; Leblanc, M; Body, M; Fayon, F; Durand, E; Boulou, J C; Maisonneuve, V","Evolution of Guanazolium Fluoroaluminates within the Composition-Space Diagram and with the Temperature","Crystal Growth & Design","2010","10","","5159","5168","10.1021/cg100909x","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506124","29.749","0.003","20.7268","0.0019","3.6309","0.0003","90","","90","","90","","2238.8","0.4","","","293","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C4 H12 Al F5 N10 -","- C4 H12 Al F5 N10 -","- C32 H96 Al8 F40 N80 -","8","0.5","","Cadiau, A; Le Bail, A; Hemon-Ribaud, A; Leblanc, M; Body, M; Fayon, F; Durand, E; Boulou, J C; Maisonneuve, V","Evolution of Guanazolium Fluoroaluminates within the Composition-Space Diagram and with the Temperature","Crystal Growth & Design","2010","10","","5159","5168","10.1021/cg100909x","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506125","35.934","0.015","20.746","0.008","3.59","0.003","90","","90","","90","","2676","3","","","293","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C4 H12 Al2 F8 N10 -","- C4 H12 Al2 F8 N10 -","- C32 H96 Al16 F64 N80 -","8","0.5","","Cadiau, A; Le Bail, A; Hemon-Ribaud, A; Leblanc, M; Body, M; Fayon, F; Durand, E; Boulou, J C; Maisonneuve, V","Evolution of Guanazolium Fluoroaluminates within the Composition-Space Diagram and with the Temperature","Crystal Growth & Design","2010","10","","5159","5168","10.1021/cg100909x","","","","","","","","","","","","","","","","","","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506126","26.6143","0.001","9.5626","0.0003","3.5796","0.00012","90","","90","","90","","911.02","0.05","","","293","","","","","","","","","5","I m m 2","I 2 -2","44","","","","- C4 H12 Al5 F17 N10 -","- C4 Al5 F17 N10 -","- C8 Al10 F34 N20 -","2","0.25","","Cadiau, A; Le Bail, A; Hemon-Ribaud, A; Leblanc, M; Body, M; Fayon, F; Durand, E; Boulou, J C; Maisonneuve, V","Evolution of Guanazolium Fluoroaluminates within the Composition-Space Diagram and with the Temperature","Crystal Growth & Design","2010","10","","5159","5168","10.1021/cg100909x","","","","","","","","","","","","","","","","","","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4508383","13.142","0.004","5.7613","0.0017","15.534","0.005","90","","95.971","0.011","90","","1169.8","0.6","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 N5 O5 -","- C10 H9 N5 O5 -","- C40 H36 N20 O20 -","4","1","","Ivanova, Bojidarka; Spiteller, Michael","On the application of the organic barbiturates as NLO materials","Crystal Growth and Design","2010","10","","2470","2474","10.1021/cg100284r","","","0.71073","MoKα","","0.0827","0.0547","","","0.1411","0.153","","","","","","1.266","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508384","8.9607","0.001","6.8485","0.0007","12.9554","0.0016","90","","105.688","0.004","90","","765.42","0.15","300","2","300","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H16 N4 O6 -","- C15 H16 N4 O6 -","- C30 H32 N8 O12 -","2","1","","Ivanova, Bojidarka; Spiteller, Michael","On the application of the organic barbiturates as NLO materials","Crystal Growth and Design","2010","10","","2470","2474","10.1021/cg100284r","","","0.71073","MoKα","","0.0449","0.0366","","","0.089","0.1056","","","","","","1.114","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508385","9.914","0.003","18.734","0.007","7.6533","0.0018","90","","94.026","0.01","90","","1417.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N4 O2 S -","- C16 H12 N4 O2 S -","- C64 H48 N16 O8 S4 -","4","1","","Ivanova, Bojidarka; Spiteller, Michael","On the application of the organic barbiturates as NLO materials","Crystal Growth and Design","2010","10","","2470","2474","10.1021/cg100284r","","","0.71073","MoKα","","0.16","0.1269","","","0.219","0.2418","","","","","","0.856","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508386","8.004","0.004","5.427","0.004","13.896","0.008","90","","93.791","0.015","90","","602.3","0.6","300","2","300","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H12 N2 O5 -","- C11 H12 N2 O5 -","- C22 H24 N4 O10 -","2","1","","Ivanova, Bojidarka; Spiteller, Michael","On the application of the organic barbiturates as NLO materials","Crystal Growth and Design","2010","10","","2470","2474","10.1021/cg100284r","","","0.71073","MoKα","","0.1412","0.1187","","","0.2867","0.3096","","","","","","1.087","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508387","10.142","0.004","7.283","0.004","19.288","0.007","90","","112.66","0.02","90","","1314.7","1","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C26 H24 N8 O7 -","- C26 H24 N8 O7 -","- C52 H48 N16 O14 -","2","0.5","","Ivanova, Bojidarka; Spiteller, Michael","On the application of the organic barbiturates as NLO materials","Crystal Growth and Design","2010","10","","2470","2474","10.1021/cg100284r","","","0.71073","MoKα","","0.1389","0.0766","","","0.2029","0.2389","","","","","","0.86","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508388","6.8153","0.0012","8.6804","0.0019","15.585","0.003","81.945","0.007","80.298","0.006","89.715","0.007","899.7","0.3","300","2","300","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H20 N4 O7 -","- C17 H20 N4 O7 -","- C34 H40 N8 O14 -","2","2","","Ivanova, Bojidarka; Spiteller, Michael","On the application of the organic barbiturates as NLO materials","Crystal Growth and Design","2010","10","","2470","2474","10.1021/cg100284r","","","0.71073","MoKα","","0.1152","0.0643","","","0.1531","0.1799","","","","","","1.016","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508389","7.45","0.002","9.326","0.003","10.691","0.003","80.323","0.01","79.526","0.01","87.818","0.01","720","0.4","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 N4 O4 -","- C16 H12 N4 O4 -","- C32 H24 N8 O8 -","2","1","","Ivanova, Bojidarka; Spiteller, Michael","On the application of the organic barbiturates as NLO materials","Crystal Growth and Design","2010","10","","2470","2474","10.1021/cg100284r","","","0.71073","MoKα","","0.0809","0.0588","","","0.174","0.1941","","","","","","1.137","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508390","6.743","0.002","9.36","0.003","10.654","0.003","85.739","0.01","71.753","0.01","80.117","0.01","629","0.3","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H11 N3 O6 -","- C10 H11 N3 O6 -","- C20 H22 N6 O12 -","2","1","","Ivanova, Bojidarka; Spiteller, Michael","On the application of the organic barbiturates as NLO materials","Crystal Growth and Design","2010","10","","2470","2474","10.1021/cg100284r","","","0.71073","MoKα","","0.0891","0.0543","","","0.1637","0.2047","","","","","","0.797","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508391","6.8634","0.0019","8.126","0.002","10.584","0.003","82.58","0.009","71.724","0.009","66.004","0.009","512.1","0.2","199","2","199","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H7 N7 O5 -","- C6 H7 N7 O5 -","- C12 H14 N14 O10 -","2","1","","Ivanova, Bojidarka; Spiteller, Michael","On the application of the organic barbiturates as NLO materials","Crystal Growth and Design","2010","10","","2470","2474","10.1021/cg100284r","","","0.71073","MoKα","","0.0802","0.052","","","0.1425","0.1567","","","","","","1.17","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4510955","20.1679","0.0015","14.2407","0.001","12.0331","0.0009","90","","97.997","0.001","90","","3422.4","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cu3 F6 N12 O8 S2 -","- C20 H24 Cu3 F6 N12 O8 S2 -","- C80 H96 Cu12 F24 N48 O32 S8 -","4","1","","Di Nicola, Corrado; Garau, Federica; Gazzano, Massimo; Monari, Magda; Pandolfo, Luciano; Pettinari, Claudio; Pettinari, Riccardo","Reactions of a Coordination Polymer Based on the Triangular Cluster [Cu3(μ3-OH)(μ-pz)3]2+with Strong Acids. Crystal Structure and Supramolecular Assemblies of New Mono-, Tri-, and Hexanuclear Complexes and Coordination Polymers","Crystal Growth & Design","2010","10","7","3120","","10.1021/cg1002397","","","0.71073","MoKα","","0.0737","0.0362","","","0.0913","0.104","","","","","","1.021","","","","has coordinates,has disorder","179656","2020-10-21","18:00:00",""
"4510956","8.389","0.001","8.824","0.001","9.945","0.001","111.344","0.002","91.105","0.002","117.297","0.002","593.71","0.12","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C7 H8 Cu0.5 F3 N4 O3 S -","- C7 H8 Cu0.5 F3 N4 O3 S -","- C14 H16 Cu F6 N8 O6 S2 -","2","1","","Di Nicola, Corrado; Garau, Federica; Gazzano, Massimo; Monari, Magda; Pandolfo, Luciano; Pettinari, Claudio; Pettinari, Riccardo","Reactions of a Coordination Polymer Based on the Triangular Cluster [Cu3(μ3-OH)(μ-pz)3]2+with Strong Acids. Crystal Structure and Supramolecular Assemblies of New Mono-, Tri-, and Hexanuclear Complexes and Coordination Polymers","Crystal Growth & Design","2010","10","7","3120","","10.1021/cg1002397","","","0.71073","MoKα","","0.0345","0.0316","","","0.1149","0.1167","","","","","","1.113","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510957","17.2716","0.0012","15.4418","0.001","8.3173","0.0006","90","","108.461","0.001","90","","2104.1","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H20 Cu N8 O8 P2 -","- C12 H20 Cu N8 O8 P2 -","- C48 H80 Cu4 N32 O32 P8 -","4","0.5","","Di Nicola, Corrado; Garau, Federica; Gazzano, Massimo; Monari, Magda; Pandolfo, Luciano; Pettinari, Claudio; Pettinari, Riccardo","Reactions of a Coordination Polymer Based on the Triangular Cluster [Cu3(μ3-OH)(μ-pz)3]2+with Strong Acids. Crystal Structure and Supramolecular Assemblies of New Mono-, Tri-, and Hexanuclear Complexes and Coordination Polymers","Crystal Growth & Design","2010","10","7","3120","","10.1021/cg1002397","","","0.71073","MoKα","","0.0275","0.0256","","","0.0767","0.0777","","","","","","1.077","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510958","16.6794","0.0015","10.7683","0.001","17.9442","0.0016","90","","108.382","0.001","90","","3058.5","0.5","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cl2 Cu3 N12 O9 -","- C18 H22 Cl2 Cu3 N12 O9 -","- C72 H88 Cl8 Cu12 N48 O36 -","4","1","","Di Nicola, Corrado; Garau, Federica; Gazzano, Massimo; Monari, Magda; Pandolfo, Luciano; Pettinari, Claudio; Pettinari, Riccardo","Reactions of a Coordination Polymer Based on the Triangular Cluster [Cu3(μ3-OH)(μ-pz)3]2+with Strong Acids. Crystal Structure and Supramolecular Assemblies of New Mono-, Tri-, and Hexanuclear Complexes and Coordination Polymers","Crystal Growth & Design","2010","10","7","3120","","10.1021/cg1002397","","","0.71073","MoKα","","0.072","0.0368","","","0.0912","0.1071","","","","","","0.914","","","","has coordinates,has disorder","179656","2020-10-21","18:00:00",""
"4510959","7.8342","0.0016","34.848","0.007","9.802","0.002","90","","94.157","0.003","90","","2669","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 Cu3 N12 O6 S -","- C18 H24 Cu3 N12 O6 S -","- C72 H96 Cu12 N48 O24 S4 -","4","1","","Di Nicola, Corrado; Garau, Federica; Gazzano, Massimo; Monari, Magda; Pandolfo, Luciano; Pettinari, Claudio; Pettinari, Riccardo","Reactions of a Coordination Polymer Based on the Triangular Cluster [Cu3(μ3-OH)(μ-pz)3]2+with Strong Acids. Crystal Structure and Supramolecular Assemblies of New Mono-, Tri-, and Hexanuclear Complexes and Coordination Polymers","Crystal Growth & Design","2010","10","7","3120","","10.1021/cg1002397","","","0.71073","MoKα","","0.1012","0.0799","","","0.2073","0.2182","","","","","","1.048","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510960","14.5214","0.0009","9.9579","0.0006","15.8528","0.0013","90","","115.511","0.001","90","","2068.9","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 Cl2 Cu N8 O8 -","- C12 H16 Cl2 Cu N8 O8 -","- C48 H64 Cl8 Cu4 N32 O32 -","4","0.5","","Di Nicola, Corrado; Garau, Federica; Gazzano, Massimo; Monari, Magda; Pandolfo, Luciano; Pettinari, Claudio; Pettinari, Riccardo","Reactions of a Coordination Polymer Based on the Triangular Cluster [Cu3(μ3-OH)(μ-pz)3]2+with Strong Acids. Crystal Structure and Supramolecular Assemblies of New Mono-, Tri-, and Hexanuclear Complexes and Coordination Polymers","Crystal Growth & Design","2010","10","7","3120","","10.1021/cg1002397","","","0.71073","MoKα","","0.0354","0.0325","","","0.0892","0.0909","","","","","","1.08","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510961","8.4899","0.0005","8.7083","0.0005","32.1849","0.0017","90","","92.9176","0.0007","90","","2376.4","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cu F6 N8 O4 -","- C16 H16 Cu F6 N8 O4 -","- C64 H64 Cu4 F24 N32 O16 -","4","1","","Di Nicola, Corrado; Garau, Federica; Gazzano, Massimo; Monari, Magda; Pandolfo, Luciano; Pettinari, Claudio; Pettinari, Riccardo","Reactions of a Coordination Polymer Based on the Triangular Cluster [Cu3(μ3-OH)(μ-pz)3]2+with Strong Acids. Crystal Structure and Supramolecular Assemblies of New Mono-, Tri-, and Hexanuclear Complexes and Coordination Polymers","Crystal Growth & Design","2010","10","7","3120","","10.1021/cg1002397","","","0.71073","MoKα","","0.0541","0.0479","","","0.1463","0.1515","","","","","","1.083","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510962","10.4715","0.0006","11.2556","0.0006","13.8167","0.0012","101.864","0.001","106.077","0.001","107.325","0.001","1418.23","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H18 Cu3 F6 N10 O5 -","- C19 H18 Cu3 F6 N10 O5 -","- C38 H36 Cu6 F12 N20 O10 -","2","1","","Di Nicola, Corrado; Garau, Federica; Gazzano, Massimo; Monari, Magda; Pandolfo, Luciano; Pettinari, Claudio; Pettinari, Riccardo","Reactions of a Coordination Polymer Based on the Triangular Cluster [Cu3(μ3-OH)(μ-pz)3]2+with Strong Acids. Crystal Structure and Supramolecular Assemblies of New Mono-, Tri-, and Hexanuclear Complexes and Coordination Polymers","Crystal Growth & Design","2010","10","7","3120","","10.1021/cg1002397","","","0.71073","MoKα","","0.0345","0.0266","","","0.0738","0.0759","","","","","","1.075","","","","has coordinates,has disorder","179656","2020-10-21","18:00:00",""
"4510963","13.751","0.0011","13.751","0.0011","17.986","0.003","90","","90","","120","","2945.3","0.6","296","2","296","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","","","","- C39 H43 Cu6 F9 N24 O11 S3 -","- C39 H43 Cu6 F9 N24 O11 S3 -","- C78 H86 Cu12 F18 N48 O22 S6 -","2","0.333333","","Di Nicola, Corrado; Garau, Federica; Gazzano, Massimo; Monari, Magda; Pandolfo, Luciano; Pettinari, Claudio; Pettinari, Riccardo","Reactions of a Coordination Polymer Based on the Triangular Cluster [Cu3(μ3-OH)(μ-pz)3]2+with Strong Acids. Crystal Structure and Supramolecular Assemblies of New Mono-, Tri-, and Hexanuclear Complexes and Coordination Polymers","Crystal Growth & Design","2010","10","7","3120","","10.1021/cg1002397","","","0.71073","MoKα","","0.0512","0.0345","","","0.0972","0.1092","","","","","","1.046","","","","has coordinates,has disorder","179656","2020-10-21","18:00:00",""
"4510964","7.5996","0.0013","8.6673","0.0016","15.484","0.003","79.549","0.012","82.855","0.012","87.305","0.013","994.9","0.3","40","2","40","2","","","101.325","","","","crystallisation from solvent","4","P -1","-P 1","2","3,5-dinitrobenzoic acid - 4,4'-bipyridine - 4-(dimethylamino)benzoic acid","3,5-dinitrobenzoic acid - 4,4'-bipyridine - 4-(dimethylamino)benzoic acid","","- C21 H19 N4 O8 -","- C21 H19 N4 O8 -","- C42 H38 N8 O16 -","2","1","","Thomas, Lynne H.; Blagden, Nicholas; Gutmann, Matthias J.; Kallay, Andras A.; Parkin, Andrew; Seaton, Colin C.; Wilson, Chick C.","Tuning Proton Behavior in a Ternary Molecular Complex","Crystal Growth & Design","2010","10","6","2770","","10.1021/cg100315u","","neutron","","neutron","","0.1031","0.089","","","","0.2242","","","","","","1.337","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510965","7.6442","0.0014","8.669","0.0017","15.507","0.003","79.544","0.012","82.734","0.012","87.262","0.014","1002.1","0.3","100","2","100","2","","","101.325","","","","crystallisation from solvent","4","P -1","-P 1","2","3,5-dinitrobenzoic acid - 4,4'-bipyridine - 4-(dimethylamino)benzoic acid","3,5-dinitrobenzoic acid - 4,4'-bipyridine - 4-(dimethylamino)benzoic acid","","- C21 H19 N4 O8 -","- C21 H19 N4 O8 -","- C42 H38 N8 O16 -","2","1","","Thomas, Lynne H.; Blagden, Nicholas; Gutmann, Matthias J.; Kallay, Andras A.; Parkin, Andrew; Seaton, Colin C.; Wilson, Chick C.","Tuning Proton Behavior in a Ternary Molecular Complex","Crystal Growth & Design","2010","10","6","2770","","10.1021/cg100315u","","neutron","","neutron","","0.109","0.109","","","","0.2721","","","","","","1.866","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510966","7.7483","0.0019","8.67","0.002","15.523","0.004","79.944","0.015","82.471","0.016","87.756","0.017","1017.8","0.4","200","2","200","2","","","101.325","","","","crystallisation from solvent","4","P -1","-P 1","2","3,5-dinitrobenzoic acid - 4,4'-bipyridine - 4-(dimethylamino)benzoic acid","3,5-dinitrobenzoic acid - 4,4'-bipyridine - 4-(dimethylamino)benzoic acid","","- C21 H19 N4 O8 -","- C21 H19 N4 O8 -","- C42 H38 N8 O16 -","2","1","","Thomas, Lynne H.; Blagden, Nicholas; Gutmann, Matthias J.; Kallay, Andras A.; Parkin, Andrew; Seaton, Colin C.; Wilson, Chick C.","Tuning Proton Behavior in a Ternary Molecular Complex","Crystal Growth & Design","2010","10","6","2770","","10.1021/cg100315u","","neutron","","neutron","","0.1009","0.088","","","","0.2057","","","","","","1.347","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510967","7.869","0.002","8.688","0.003","15.566","0.005","80.49","0.02","82.01","0.02","88.3","0.02","1039.3","0.6","300","2","300","2","","","101.325","","","","crystallisation from solvent","4","P -1","-P 1","2","3,5-dinitrobenzoic acid - 4,4'-bipyridine - 4-(dimethylamino)benzoic acid","3,5-dinitrobenzoic acid - 4,4'-bipyridine - 4-(dimethylamino)benzoic acid","","- C21 H19 N4 O8 -","- C21 H19 N4 O8 -","- C42 H38 N8 O16 -","2","1","","Thomas, Lynne H.; Blagden, Nicholas; Gutmann, Matthias J.; Kallay, Andras A.; Parkin, Andrew; Seaton, Colin C.; Wilson, Chick C.","Tuning Proton Behavior in a Ternary Molecular Complex","Crystal Growth & Design","2010","10","6","2770","","10.1021/cg100315u","","neutron","","neutron","","0.1104","0.0971","","","","0.2308","","","","","","1.634","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510968","7.6431","0.0003","8.6569","0.0003","15.4854","0.0006","79.479","0.002","82.732","0.003","87.277","0.002","998.97","0.07","100","2","100","","","","101.325","","","","crystallisation from solvent","4","P -1","-P 1","2","3,5-dinitrobenzoic acid - 4,4'-bipyridine - 4-(dimethylamino)benzoic acid","3,5-dinitrobenzoic acid - 4,4'-bipyridine - 4-(dimethylamino)benzoic acid","","- C21 H19 N4 O8 -","- C21 H19 N4 O8 -","- C42 H38 N8 O16 -","2","1","","Thomas, Lynne H.; Blagden, Nicholas; Gutmann, Matthias J.; Kallay, Andras A.; Parkin, Andrew; Seaton, Colin C.; Wilson, Chick C.","Tuning Proton Behavior in a Ternary Molecular Complex","Crystal Growth & Design","2010","10","6","2770","","10.1021/cg100315u","","x-ray","0.71073","MoKα","","0.0485","0.0387","","","","0.1096","","","","","","1.045","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510969","7.7483","0.0003","8.6658","0.0003","15.5142","0.0005","79.804","0.002","82.447","0.002","87.681","0.002","1016.2","0.06","200","2","200","2","","","101.325","","","","crystallisation from solvent","4","P -1","-P 1","2","3,5-dinitrobenzoic acid - 4,4'-bipyridine - 4-(dimethylamino)benzoic acid","3,5-dinitrobenzoic acid - 4,4'-bipyridine - 4-(dimethylamino)benzoic acid","","- C21 H19 N4 O8 -","- C21 H19 N4 O8 -","- C42 H38 N8 O16 -","2","1","","Thomas, Lynne H.; Blagden, Nicholas; Gutmann, Matthias J.; Kallay, Andras A.; Parkin, Andrew; Seaton, Colin C.; Wilson, Chick C.","Tuning Proton Behavior in a Ternary Molecular Complex","Crystal Growth & Design","2010","10","6","2770","","10.1021/cg100315u","","x-ray","0.71073","MoKα","","0.0622","0.0439","","","","0.134","","","","","","1.017","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510970","7.8659","0.0003","8.6762","0.0003","15.566","0.0004","80.29","0.002","81.985","0.002","88.252","0.002","1036.85","0.06","300","2","300","2","","","101.325","","","","crystallisation from solvent","4","P -1","-P 1","2","3,5-dinitrobenzoic acid - 4,4'-bipyridyl - 4-(dimethylamino)benzoic acid","3,5-dinitrobenzoic acid - 4,4'-bipyridyl - 4-(dimethylamino)benzoic acid","","- C21 H19 N4 O8 -","- C21 H19 N4 O8 -","- C42 H38 N8 O16 -","2","1","","Thomas, Lynne H.; Blagden, Nicholas; Gutmann, Matthias J.; Kallay, Andras A.; Parkin, Andrew; Seaton, Colin C.; Wilson, Chick C.","Tuning Proton Behavior in a Ternary Molecular Complex","Crystal Growth & Design","2010","10","6","2770","","10.1021/cg100315u","","x-ray","0.71073","MoKα","","0.0857","0.0503","","","","0.1519","","","","","","1.02","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510971","9.7875","0.0019","10.587","0.002","12.438","0.003","93.946","0.003","109.581","0.002","114.975","0.002","1066.9","0.4","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H56 N10 O4 -","- C42 H56 N10 O4 -","- C42 H56 N10 O4 -","1","0.5","","Carvalho, Simão P.; Wang, Ruiyao; Wang, Haotian; Ball, Brian; Lebel, Olivier","The Brønsted-Lowry Reaction Revisited: Glass-Forming Properties of Salts of 1,5-Dimexylbiguanide","Crystal Growth & Design","2010","10","6","2734","","10.1021/cg1002435","","","0.71073","MoKα","","0.0874","0.0507","","","0.1225","0.143","","","","","","1.024","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510972","14.3364","0.0003","7.5018","0.0002","16.4621","0.0003","90","","107.716","0.001","90","","1686.52","0.07","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N5 -","- C18 H23 N5 -","- C72 H92 N20 -","4","1","","Carvalho, Simão P.; Wang, Ruiyao; Wang, Haotian; Ball, Brian; Lebel, Olivier","The Brønsted-Lowry Reaction Revisited: Glass-Forming Properties of Salts of 1,5-Dimexylbiguanide","Crystal Growth & Design","2010","10","6","2734","","10.1021/cg1002435","","","0.71073","MoKα","","0.0592","0.0464","","","0.1177","0.127","","","","","","1.04","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510973","13.574","0.002","18.461","0.003","22.346","0.004","111.71","0.002","94.025","0.002","91.123","0.002","5183.4","1.5","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C48.25 H64.75 N10 O6.12 -","- C48.25 H64.75 N10 O6.125 -","- C193 H259 N40 O24.5 -","4","2","","Carvalho, Simão P.; Wang, Ruiyao; Wang, Haotian; Ball, Brian; Lebel, Olivier","The Brønsted-Lowry Reaction Revisited: Glass-Forming Properties of Salts of 1,5-Dimexylbiguanide","Crystal Growth & Design","2010","10","6","2734","","10.1021/cg1002435","","","0.71073","MoKα","","0.1831","0.1029","","","0.2697","0.3252","","","","","","1.029","","","","has coordinates,has disorder","179656","2020-10-21","18:00:00",""
"4510974","6.7947","0.0012","15.969","0.003","19.395","0.004","90","","92.97","0.003","90","","2101.6","0.7","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 Ag N4 O12 Sm -","- C19 H13 Ag N4 O12 Sm -","- C76 H52 Ag4 N16 O48 Sm4 -","4","1","","Li, Zhao-Yang; Dai, Jing-Wei; Wang, Ning; Qiu, Hui-Hua; Yue, Shan-Tang; Liu, Ying-Liang","A Series of Three-Dimensional 4d‒4f Heterometallic Coordination Polymers with Six-Connected Doubly Interpenetrated pcu Net Topology: Structural, Photoluminescent, and Magnetic Properties","Crystal Growth & Design","2010","10","6","2746","2751","10.1021/cg100245a","","","0.71073","MoKα","","0.0918","0.063","","","0.149","0.1675","","","","","","1.067","","","","has coordinates","180554","2020-10-21","18:00:00",""
"4510975","6.7488","0.0005","15.914","0.0011","19.3628","0.0013","90","","92.797","0.001","90","","2077.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 Ag Eu N4 O12 -","- C19 H13 Ag Eu N4 O12 -","- C76 H52 Ag4 Eu4 N16 O48 -","4","1","","Li, Zhao-Yang; Dai, Jing-Wei; Wang, Ning; Qiu, Hui-Hua; Yue, Shan-Tang; Liu, Ying-Liang","A Series of Three-Dimensional 4d‒4f Heterometallic Coordination Polymers with Six-Connected Doubly Interpenetrated pcu Net Topology: Structural, Photoluminescent, and Magnetic Properties","Crystal Growth & Design","2010","10","6","2746","2751","10.1021/cg100245a","","","0.71073","MoKα","","0.0279","0.0238","","","0.0527","0.0545","","","","","","1.054","","","","has coordinates","180554","2020-10-21","18:00:00",""
"4510976","6.783","0.0008","15.9415","0.0018","19.364","0.002","90","","92.669","0.002","90","","2091.6","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 Ag Gd N4 O12 -","- C19 H13 Ag Gd N4 O12 -","- C76 H52 Ag4 Gd4 N16 O48 -","4","1","","Li, Zhao-Yang; Dai, Jing-Wei; Wang, Ning; Qiu, Hui-Hua; Yue, Shan-Tang; Liu, Ying-Liang","A Series of Three-Dimensional 4d‒4f Heterometallic Coordination Polymers with Six-Connected Doubly Interpenetrated pcu Net Topology: Structural, Photoluminescent, and Magnetic Properties","Crystal Growth & Design","2010","10","6","2746","2751","10.1021/cg100245a","","","0.71073","MoKα","","0.0545","0.0356","","","0.0706","0.0778","","","","","","1.002","","","","has coordinates","180554","2020-10-21","18:00:00",""
"4510977","6.7737","0.0004","15.9327","0.001","19.3375","0.0012","90","","92.408","0.001","90","","2085.1","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 Ag N4 O12 Tb -","- C19 H13 Ag N4 O12 Tb -","- C76 H52 Ag4 N16 O48 Tb4 -","4","1","","Li, Zhao-Yang; Dai, Jing-Wei; Wang, Ning; Qiu, Hui-Hua; Yue, Shan-Tang; Liu, Ying-Liang","A Series of Three-Dimensional 4d‒4f Heterometallic Coordination Polymers with Six-Connected Doubly Interpenetrated pcu Net Topology: Structural, Photoluminescent, and Magnetic Properties","Crystal Growth & Design","2010","10","6","2746","2751","10.1021/cg100245a","","","0.71073","MoKα","","0.0386","0.0281","","","0.0574","0.0618","","","","","","1.023","","","","has coordinates","180554","2020-10-21","18:00:00",""
"4510978","6.7179","0.0008","15.8721","0.0018","19.303","0.002","90","","92.196","0.001","90","","2056.7","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 Ag Dy N4 O12 -","- C19 H13 Ag Dy N4 O12 -","- C76 H52 Ag4 Dy4 N16 O48 -","4","1","","Li, Zhao-Yang; Dai, Jing-Wei; Wang, Ning; Qiu, Hui-Hua; Yue, Shan-Tang; Liu, Ying-Liang","A Series of Three-Dimensional 4d‒4f Heterometallic Coordination Polymers with Six-Connected Doubly Interpenetrated pcu Net Topology: Structural, Photoluminescent, and Magnetic Properties","Crystal Growth & Design","2010","10","6","2746","2751","10.1021/cg100245a","","","0.71073","MoKα","","0.0406","0.03","","","0.061","0.0649","","","","","","1.021","","","","has coordinates","180554","2020-10-21","18:00:00",""
"4510979","6.7583","0.0006","15.9101","0.0015","19.3168","0.0018","90","","92.003","0.001","90","","2075.8","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 Ag Ho N4 O12 -","- C19 H13 Ag Ho N4 O12 -","- C76 H52 Ag4 Ho4 N16 O48 -","4","1","","Li, Zhao-Yang; Dai, Jing-Wei; Wang, Ning; Qiu, Hui-Hua; Yue, Shan-Tang; Liu, Ying-Liang","A Series of Three-Dimensional 4d‒4f Heterometallic Coordination Polymers with Six-Connected Doubly Interpenetrated pcu Net Topology: Structural, Photoluminescent, and Magnetic Properties","Crystal Growth & Design","2010","10","6","2746","2751","10.1021/cg100245a","","","0.71073","MoKα","","0.0272","0.0213","","","0.0457","0.0481","","","","","","1.037","","","","has coordinates","180554","2020-10-21","18:00:00",""
"4510980","6.7425","0.0015","15.88","0.004","19.277","0.004","90","","91.797","0.003","90","","2063","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 Ag Er N4 O12 -","- C19 H13 Ag Er N4 O12 -","- C76 H52 Ag4 Er4 N16 O48 -","4","1","","Li, Zhao-Yang; Dai, Jing-Wei; Wang, Ning; Qiu, Hui-Hua; Yue, Shan-Tang; Liu, Ying-Liang","A Series of Three-Dimensional 4d‒4f Heterometallic Coordination Polymers with Six-Connected Doubly Interpenetrated pcu Net Topology: Structural, Photoluminescent, and Magnetic Properties","Crystal Growth & Design","2010","10","6","2746","2751","10.1021/cg100245a","","","0.71073","MoKα","","0.0683","0.0512","","","0.1068","0.1141","","","","","","1.082","","","","has coordinates","180554","2020-10-21","18:00:00",""
"4510981","8.447","0.0012","12.5254","0.0017","13.3182","0.0018","90","","90","","90","","1409.1","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Znic 2-(1H-imidazole-yl) propinate","","","- C12 H14 N4 O4 Zn -","- C12 H14 N4 O4 Zn -","- C48 H56 N16 O16 Zn4 -","4","1","","Zhang, Gao; Yao, Shi-Yan; Guo, Dong-Wei; Tian, Yun-Qi","Noncentrosymmetric and Homochiral Metal−Organic Frameworks of (S)-2-(1H-Imidazole1-yl) Propionic Acid","Crystal Growth & Design","2010","10","5","2355","","10.1021/cg1001368","","","0.71073","MoKα","","0.0228","0.0208","","","0.0483","0.049","","","","","","1.04","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510982","8.3992","0.001","12.6546","0.0016","13.3111","0.0016","90","","90","","90","","1414.8","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","cobalt 2-(1H-imidazole-yl) propinate","","","- C12 H14 Co N4 O4 -","- C12 H14 Co N4 O4 -","- C48 H56 Co4 N16 O16 -","4","1","","Zhang, Gao; Yao, Shi-Yan; Guo, Dong-Wei; Tian, Yun-Qi","Noncentrosymmetric and Homochiral Metal−Organic Frameworks of (S)-2-(1H-Imidazole1-yl) Propionic Acid","Crystal Growth & Design","2010","10","5","2355","","10.1021/cg1001368","","","0.71073","MoKα","","0.0426","0.0333","","","0.0647","0.0681","","","","","","1.035","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510983","15.215","0.002","5.0455","0.0007","16.937","0.002","90","","90","","90","","1300.2","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","manganese 2-(1H-imidazole-yl) propinate","","","- C12 H14 Mn N4 O4 -","- C12 H14 Mn N4 O4 -","- C48 H56 Mn4 N16 O16 -","4","1","","Zhang, Gao; Yao, Shi-Yan; Guo, Dong-Wei; Tian, Yun-Qi","Noncentrosymmetric and Homochiral Metal−Organic Frameworks of (S)-2-(1H-Imidazole1-yl) Propionic Acid","Crystal Growth & Design","2010","10","5","2355","","10.1021/cg1001368","","","0.71073","MoKα","","0.0297","0.0261","","","0.066","0.0683","","","","","","1.044","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510984","7.6566","0.0012","10.0243","0.0016","9.2447","0.0014","90","","92.735","0.002","90","","708.74","0.19","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","copper 2-(1H-imidazole-yl) propinate","","","- C12 H14 Cu N4 O4 -","- C12 H14 Cu N4 O4 -","- C24 H28 Cu2 N8 O8 -","2","1","","Zhang, Gao; Yao, Shi-Yan; Guo, Dong-Wei; Tian, Yun-Qi","Noncentrosymmetric and Homochiral Metal−Organic Frameworks of (S)-2-(1H-Imidazole1-yl) Propionic Acid","Crystal Growth & Design","2010","10","5","2355","","10.1021/cg1001368","","","0.71073","MoKα","","0.0429","0.0354","","","0.0757","0.0795","","","","","","1.026","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510985","6.343","0.009","8.856","0.013","9.599","0.014","81.49","0.02","79.87","0.02","81.3","0.02","520.6","1.3","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","bis-(2-hydroxy-pyridine-n-oxide) zinc","","- C10 H8 N2 O4 Zn -","- C10 H8 N2 O4 Zn -","- C20 H16 N4 O8 Zn2 -","2","1","","Ma, Zhenbo; Hopson, Russell; Cai, Chen; Han, Shuangbing; Moulton, Brian","Modifying Lipophilicities of Zn(II) Coordination Species by Introduction of Ancillary Ligands: A Supramolecular Chemistry Approach","Crystal Growth & Design","2010","10","5","2376","","10.1021/cg100192z","","","0.71073","MoKα","","0.0795","0.0698","","","0.1883","0.2008","","","","","","1.078","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510986","9.1837","0.0018","18.715","0.004","19.053","0.004","105.34","0.03","94.59","0.03","98.05","0.03","3103.3","1.3","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","bis(2-hydroxyl-Pyridine)-N-oxide)-zinc-mono(1,10-Phenanthroline) hydrate","","- C22 H19.33333 N4 O5.66667 Zn -","- C22 H19.3333 N4 O5.66667 Zn -","- C132 H116 N24 O34 Zn6 -","6","3","","Ma, Zhenbo; Hopson, Russell; Cai, Chen; Han, Shuangbing; Moulton, Brian","Modifying Lipophilicities of Zn(II) Coordination Species by Introduction of Ancillary Ligands: A Supramolecular Chemistry Approach","Crystal Growth & Design","2010","10","5","2376","","10.1021/cg100192z","","","0.71073","MoKα","","0.121","0.0791","","","0.1845","0.2014","","","","","","1.036","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510987","9.5912","0.0019","15.983","0.003","24.334","0.005","90","","90","","90","","3730.3","1.3","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(2-hydroxyl-pyridine-n-oxide)Zinc-2,2'-bipyridine","","- C20 H16 N4 O4 Zn -","- C20 H16 N4 O4 Zn -","- C160 H128 N32 O32 Zn8 -","8","1","","Ma, Zhenbo; Hopson, Russell; Cai, Chen; Han, Shuangbing; Moulton, Brian","Modifying Lipophilicities of Zn(II) Coordination Species by Introduction of Ancillary Ligands: A Supramolecular Chemistry Approach","Crystal Growth & Design","2010","10","5","2376","","10.1021/cg100192z","","","0.71073","MoKα","","0.0308","0.027","","","0.0735","0.0756","","","","","","1.053","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510990","9.365","0.002","30.01","0.006","20.085","0.004","90","","100.22","0.03","90","","5555","2","150","2","150","2","","","","","","","","3","C 1 c 1","C -2yc","9","3,5-Dihydroxybenzoic acid dipropyl oxalate","","","- C50 H50 O35 -","- C50 H50 O35 -","- C200 H200 O140 -","4","1","","Varughese, Sunil; Desiraju, Gautam R.","Using Water as a Design Element in Crystal Engineering. Host−Guest Compounds of Hydrated 3,5-Dihydroxybenzoic Acid","Crystal Growth & Design","2010","10","9","4184","","10.1021/cg100872w","","","0.71073","MoKα","","0.0878","0.0727","","","0.1753","0.2047","","","","","","1.185","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510991","7.254","0.002","9.334","0.002","14.517","0.003","99.12","0.03","93.63","0.03","110.63","0.03","900.7","0.4","150","2","150","2","","","","","","","","3","P -1","-P 1","2","3,5-Dihydroxybenzoic acid dimethyloxalate","","","- C16 H19 O12 -","- C16 H19 O12 -","- C32 H38 O24 -","2","1","","Varughese, Sunil; Desiraju, Gautam R.","Using Water as a Design Element in Crystal Engineering. Host−Guest Compounds of Hydrated 3,5-Dihydroxybenzoic Acid","Crystal Growth & Design","2010","10","9","4184","","10.1021/cg100872w","","","0.71073","MoKα","","0.1096","0.0968","","","0.2907","0.2951","","","","","","1.202","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510992","10.289","0.002","9.201","0.002","30.055","0.006","90","","97.54","0.03","90","","2820.7","1","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3,5-Dihydroxybenzoic acid ethyl acetate solvate","","","- C25 H32 O17 -","- C25 H32 O17 -","- C100 H128 O68 -","4","1","","Varughese, Sunil; Desiraju, Gautam R.","Using Water as a Design Element in Crystal Engineering. Host−Guest Compounds of Hydrated 3,5-Dihydroxybenzoic Acid","Crystal Growth & Design","2010","10","9","4184","","10.1021/cg100872w","","","0.71073","MoKα","","0.0704","0.0571","","","0.1754","0.1932","","","","","","1.141","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510993","30.096","0.006","9.118","0.002","20.17","0.004","90","","109.92","0.03","90","","5204","2","123","2","123","2","","","","","","","","3","C 1 c 1","C -2yc","9","3,5-Dihydroxybenzoic acid acetone solvate","","","- C48 H56 O31 -","- C48 H56 O31 -","- C192 H224 O124 -","4","1","","Varughese, Sunil; Desiraju, Gautam R.","Using Water as a Design Element in Crystal Engineering. Host−Guest Compounds of Hydrated 3,5-Dihydroxybenzoic Acid","Crystal Growth & Design","2010","10","9","4184","","10.1021/cg100872w","","","0.71073","MoKα","","0.0493","0.0448","","","0.1151","0.1324","","","","","","1.164","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510994","3.691","0.001","25.921","0.005","7.374","0.002","90","","90.005","0.003","90","","705.5","0.3","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","3,5-Dihydroxybenzoic acid hemihydrate","","","- C14 H12 O9 -","- C14 H12 O9 -","- C28 H24 O18 -","2","1","","Varughese, Sunil; Desiraju, Gautam R.","Using Water as a Design Element in Crystal Engineering. Host−Guest Compounds of Hydrated 3,5-Dihydroxybenzoic Acid","Crystal Growth & Design","2010","10","9","4184","","10.1021/cg100872w","","","0.71073","MoKα","","0.1107","0.0995","","","0.2549","0.2732","","","","","","1.186","","","","has coordinates,has disorder","179656","2020-10-21","18:00:00",""
"4510995","12.266","0.003","13.541","0.003","19.657","0.004","73.79","0.03","78.43","0.03","73.19","0.03","2975.5","1.3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","3,5-Dihydroxybenzoic acid dimethylsulfoxide solvate","","","- C50 H66 O31 S4 -","- C50 H66 O31 S4 -","- C100 H132 O62 S8 -","2","1","","Varughese, Sunil; Desiraju, Gautam R.","Using Water as a Design Element in Crystal Engineering. Host−Guest Compounds of Hydrated 3,5-Dihydroxybenzoic Acid","Crystal Growth & Design","2010","10","9","4184","","10.1021/cg100872w","","","0.71073","MoKα","","0.0652","0.057","","","0.1679","0.1818","","","","","","1.068","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510996","22.701","0.005","9.293","0.002","26.502","0.005","90","","105.19","0.03","90","","5396","2","150","2","150","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","3,5-Dihydroxybenzoic acid 1-propanol solvate","","","- C24 H22 O16 -","- C24 H22 O16 -","- C192 H176 O128 -","8","1","","Varughese, Sunil; Desiraju, Gautam R.","Using Water as a Design Element in Crystal Engineering. Host−Guest Compounds of Hydrated 3,5-Dihydroxybenzoic Acid","Crystal Growth & Design","2010","10","9","4184","","10.1021/cg100872w","","","0.71073","MoKα","","0.0863","0.074","","","0.2152","0.2365","","","","","","1.057","","","","has coordinates,has disorder","179656","2020-10-21","18:00:00",""
"4510997","8.622","0.005","9.505","0.006","12.094","0.007","76.803","0.009","82.735","0.009","77.461","0.009","938.9","1","123","2","123","2","","","","","","","","5","P -1","-P 1","2","3,5-Dihydroxybenzoic acid chloroacetonitrile solvate","","","- C16 H18 Cl N O10 -","- C16 H18 Cl N O10 -","- C32 H36 Cl2 N2 O20 -","2","1","","Varughese, Sunil; Desiraju, Gautam R.","Using Water as a Design Element in Crystal Engineering. Host−Guest Compounds of Hydrated 3,5-Dihydroxybenzoic Acid","Crystal Growth & Design","2010","10","9","4184","","10.1021/cg100872w","","","0.71073","MoKα","","0.0763","0.0668","","","0.1962","0.2052","","","","","","1.105","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510998","7.478","0.003","9.298","0.002","13.899","0.005","99.66","0.03","91.93","0.04","108.24","0.03","901","0.6","123","2","123","2","","","","","","","","3","P -1","-P 1","2","3,5-Dihydroxybenzoic acid diethyl oxalate","","","- C34 H42 O24 -","- C34 H42 O24 -","- C34 H42 O24 -","1","0.5","","Varughese, Sunil; Desiraju, Gautam R.","Using Water as a Design Element in Crystal Engineering. Host−Guest Compounds of Hydrated 3,5-Dihydroxybenzoic Acid","Crystal Growth & Design","2010","10","9","4184","","10.1021/cg100872w","","","0.71073","MoKα","","0.0839","0.0675","","","0.1928","0.2105","","","","","","1.09","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510999","27.894","0.007","9.263","0.002","24.047","0.006","90","","144.111","0.014","90","","3642.3","1.9","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","3,5-Dihydroxybenzoic acid 2-butanol solvate","","","- C16 H16 O11 -","- C16 H16 O11 -","- C128 H128 O88 -","8","1","","Varughese, Sunil; Desiraju, Gautam R.","Using Water as a Design Element in Crystal Engineering. Host−Guest Compounds of Hydrated 3,5-Dihydroxybenzoic Acid","Crystal Growth & Design","2010","10","9","4184","","10.1021/cg100872w","","","0.71073","MoKα","","0.1334","0.0883","","","0.2524","0.2628","","","","","","1.136","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4511000","29.955","0.006","9.256","0.002","22.87","0.005","90","","122.45","0.03","90","","5351","3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","3,5-Dihydroxybenzoic acid N,N-dimethyformamide solvate","","","- C8 H10 N0.33333 O5.33333 -","- C8 H10 N0.333333 O5.33333 -","- C192 H240 N8 O128 -","24","3","","Varughese, Sunil; Desiraju, Gautam R.","Using Water as a Design Element in Crystal Engineering. Host−Guest Compounds of Hydrated 3,5-Dihydroxybenzoic Acid","Crystal Growth & Design","2010","10","9","4184","","10.1021/cg100872w","","","0.71073","MoKα","","0.0779","0.066","","","0.195","0.2114","","","","","","1.063","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511001","9.328","0.001","15.646","0.001","19.666","0.001","78.955","0.006","86.028","0.006","73.359","0.005","2698.7","0.4","150","2","150","2","","","","","","","","3","P -1","-P 1","2","3,5-Dihydroxybenzoic acid diethyl malonate","","","- C49 H57 O35 -","- C49 H57 O35 -","- C98 H114 O70 -","2","1","","Varughese, Sunil; Desiraju, Gautam R.","Using Water as a Design Element in Crystal Engineering. Host−Guest Compounds of Hydrated 3,5-Dihydroxybenzoic Acid","Crystal Growth & Design","2010","10","9","4184","","10.1021/cg100872w","","","0.71073","MoKα","","0.0608","0.0499","","","0.1303","0.1384","","","","","","1.027","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511002","9.374","0.001","11.126","0.001","15.366","0.002","109.467","0.007","90.876","0.007","113.693","0.004","1362.8","0.3","150","2","150","2","","","","","","","","3","P 1","P 1","1","3,5-Dihydroxybenzoic acid diethyl succinate","","","- C50 H57 O34 -","- C50 H57 O34 -","- C50 H57 O34 -","1","1","","Varughese, Sunil; Desiraju, Gautam R.","Using Water as a Design Element in Crystal Engineering. Host−Guest Compounds of Hydrated 3,5-Dihydroxybenzoic Acid","Crystal Growth & Design","2010","10","9","4184","","10.1021/cg100872w","","","0.71073","MoKα","","0.0507","0.0465","","","0.1314","0.135","","","","","","1.089","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4512581","10.2863","0.0007","18.1078","0.0013","10.1523","0.0007","90","","94.602","0.004","90","","1884.9","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 O6 -","- C21 H28 O6 -","- C84 H112 O24 -","4","1","","Martin, Mackenzie D.; Calcul, Laurent; Smith, Courtney; Jinwal, Umesh K.; Fontaine, Sarah N.; Darling, April; Seeley, Kent; Wojtas, Lukasz; Narayan, Malathi; Gestwicki, Jason E.; Smith, Garry R.; Reitz, Allen B.; Baker, Bill J.; Dickey, Chad A.","Synthesis, stereochemical analysis, and derivatization of myricanol provide new probes that promote autophagic tau clearance.","ACS chemical biology","2015","10","4","1099","1109","10.1021/cb501013w","","","1.54178","CuKα","","0.0571","0.0391","","","0.0877","0.0948","","","","","","1.034","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512582","49.7851","0.0012","49.7851","0.0012","6.7498","0.0002","90","","90","","120","","14488.4","0.7","100","2","100","2","","","","","","","","3","P 61","P 61","169","","","","- C98.91 H133.82 O24.1 -","- C98.912 H133.824 O24.098 -","- C593.472 H802.944 O144.588 -","6","1","","Martin, Mackenzie D.; Calcul, Laurent; Smith, Courtney; Jinwal, Umesh K.; Fontaine, Sarah N.; Darling, April; Seeley, Kent; Wojtas, Lukasz; Narayan, Malathi; Gestwicki, Jason E.; Smith, Garry R.; Reitz, Allen B.; Baker, Bill J.; Dickey, Chad A.","Synthesis, stereochemical analysis, and derivatization of myricanol provide new probes that promote autophagic tau clearance.","ACS chemical biology","2015","10","4","1099","1109","10.1021/cb501013w","","","1.54178","CuKα","","0.1303","0.0862","","","0.2079","0.2372","","","","","","1.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512583","22.3255","0.001","22.3255","0.001","14.2555","0.0007","90","","90","","90","","7105.3","0.6","100","2","99.99","","","","","","","","","3","I 41/a","-I 4ad","88","","","","- C21 H26 O5 -","- C21 H26 O5 -","- C336 H416 O80 -","16","","","Martin, Mackenzie D.; Calcul, Laurent; Smith, Courtney; Jinwal, Umesh K.; Fontaine, Sarah N.; Darling, April; Seeley, Kent; Wojtas, Lukasz; Narayan, Malathi; Gestwicki, Jason E.; Smith, Garry R.; Reitz, Allen B.; Baker, Bill J.; Dickey, Chad A.","Synthesis, stereochemical analysis, and derivatization of myricanol provide new probes that promote autophagic tau clearance.","ACS chemical biology","2015","10","4","1099","1109","10.1021/cb501013w","","","1.54178","CuKα","","0.0529","0.0445","","","0.1166","0.1231","","","","","","1.027","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4514347","12.666","0.003","29.888","0.006","15.424","0.003","90","","112.43","0.03","90","","5397","2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H44 In2 N3 O17 -","- C58 H44 In2 N3 O17 -","- C232 H176 In8 N12 O68 -","4","1","","Nguyen, Phuong T. K.; Nguyen, Huong T. D.; Nguyen, Hung N.; Trickett, Christopher A.; Ton, Quang T.; Gutiérrez-Puebla, Enrique; Monge, M. Angeles; Cordova, Kyle E.; Gándara, Felipe","New Metal-Organic Frameworks for Chemical Fixation of CO2.","ACS applied materials & interfaces","2018","10","1","733","744","10.1021/acsami.7b16163","","","1.54178","CuKα","","0.1042","0.0675","","","0.1951","0.2399","","","","","","1.046","","","","has coordinates","206108","2020-10-21","18:00:00",""
"4514348","32.2282","0.0014","32.2282","0.0014","26.548","0.0012","90","","90","","120","","23880","1.8","100","","100","","","","","","","","","5","P 63/m","-P 6c","176","","","","- C56.67 H24 N O28.67 Zr4 -","- C56.6666 H24 N O28.6665 Zr4 -","- C340 H144 N6 O171.999 Zr24 -","6","0.5","","Nguyen, Phuong T. K.; Nguyen, Huong T. D.; Nguyen, Hung N.; Trickett, Christopher A.; Ton, Quang T.; Gutiérrez-Puebla, Enrique; Monge, M. Angeles; Cordova, Kyle E.; Gándara, Felipe","New Metal-Organic Frameworks for Chemical Fixation of CO2.","ACS applied materials & interfaces","2018","10","1","733","744","10.1021/acsami.7b16163","","","0.71073","MoKα","","0.1775","0.1554","","","0.4612","0.4922","","","","","","2.247","","","","has coordinates,has disorder","206108","2020-10-21","18:00:00",""
"4514349","24.6147","0.0009","69.169","0.002","19.5485","0.0007","90","","92.081","0.002","90","","33261","2","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C102 H48 O44 Zr6 -","- C102 H48 O44 Zr6 -","- C816 H384 O352 Zr48 -","8","1","","Nguyen, Phuong T. K.; Nguyen, Huong T. D.; Nguyen, Hung N.; Trickett, Christopher A.; Ton, Quang T.; Gutiérrez-Puebla, Enrique; Monge, M. Angeles; Cordova, Kyle E.; Gándara, Felipe","New Metal-Organic Frameworks for Chemical Fixation of CO2.","ACS applied materials & interfaces","2018","10","1","733","744","10.1021/acsami.7b16163","","","0.71073","MoKα","","0.0976","0.0725","","","0.1943","0.2158","","","","","","1.038","","","","has coordinates","206108","2020-10-21","18:00:00",""
"4514362","14.285","","16.578","","17.357","","95.26","","105.9","","98.58","","3870.77","","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C146 H154 Cu4 N26 O56 Si W12 -","- C140 H128 Cu4 N24 O48 Si W12 -","- C140 H128 Cu4 N24 O48 Si W12 -","1","0.5","","Lu, Bing-Bing; Yang, Jin; Che, Guang-Bo; Pei, Wen-Yuan; Ma, Jian-Fang","Highly Stable Copper(I)-Based Metal-Organic Framework Assembled with Resorcin[4]arene and Polyoxometalate for Efficient Heterogeneous Catalysis of Azide-Alkyne ""Click"" Reaction.","ACS applied materials & interfaces","2018","10","3","2628","2636","10.1021/acsami.7b17306","","","0.71073","MoKα","","0.1347","0.0691","","","0.139","0.1632","","","","","","0.998","","","","has coordinates","206112","2020-10-21","18:00:00",""
"4514370","7.528","0.002","16.408","0.004","16.481","0.004","109.521","0.004","101.992","0.004","90.795","0.004","1869.2","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H35 N3 O7 Zn -","- C43 H35 N3 O7 Zn -","- C86 H70 N6 O14 Zn2 -","2","1","","Li, Qiyang; Wu, Xiuju; Huang, Xiaoli; Deng, Yangjun; Chen, Nanjian; Jiang, Dandan; Zhao, Lili; Lin, Zhihua; Zhao, Yonggang","Tailoring the Fluorescence of AIE-Active Metal-Organic Frameworks for Aqueous Sensing of Metal Ions.","ACS applied materials & interfaces","2018","10","4","3801","3809","10.1021/acsami.7b17762","","","0.71073","MoKα","","0.1067","0.0546","","","0.1167","0.1314","","","","","","0.998","","","","has coordinates,has disorder","206109","2020-10-21","18:00:00",""
"4514371","7.488","0.004","8.51","0.004","13.655","0.007","90.845","0.005","103.081","0.005","100.918","0.006","830.7","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H36 N2 O8 -","- C36 H36 N2 O8 -","- C36 H36 N2 O8 -","1","0.5","","Li, Qiyang; Wu, Xiuju; Huang, Xiaoli; Deng, Yangjun; Chen, Nanjian; Jiang, Dandan; Zhao, Lili; Lin, Zhihua; Zhao, Yonggang","Tailoring the Fluorescence of AIE-Active Metal-Organic Frameworks for Aqueous Sensing of Metal Ions.","ACS applied materials & interfaces","2018","10","4","3801","3809","10.1021/acsami.7b17762","","","0.71073","MoKα","","0.122","0.0657","","","0.1844","0.2167","","","","","","1.13","","","","has coordinates","206109","2020-10-21","18:00:00",""
"4514372","10.875","0.004","9.029","0.003","33.42","0.011","90","","96.686","0.011","90","","3259.2","1.9","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C36 H34 N2 O8 Zn -","- C36 H34 N2 O8 Zn0.999 -","- C144 H136 N8 O32 Zn3.996 -","4","0.5","","Li, Qiyang; Wu, Xiuju; Huang, Xiaoli; Deng, Yangjun; Chen, Nanjian; Jiang, Dandan; Zhao, Lili; Lin, Zhihua; Zhao, Yonggang","Tailoring the Fluorescence of AIE-Active Metal-Organic Frameworks for Aqueous Sensing of Metal Ions.","ACS applied materials & interfaces","2018","10","4","3801","3809","10.1021/acsami.7b17762","","","0.71073","MoKα","","0.0853","0.0535","","","0.1662","0.2028","","","","","","0.937","","","","has coordinates,has disorder","206109","2020-10-21","18:00:00",""
"4514373","8.806","0.0009","15.6384","0.0013","27.2005","0.0019","90","","99.286","0.007","90","","3696.7","0.6","108","13","108","13","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H44 N3 O2 -","- C50 H44 N3 O2 -","- C200 H176 N12 O8 -","4","1","","Venkatramaiah, N.; Kumar, G. Dinesh; Chandrasekaran, Yogesh; Ganduri, Ramesh; Patil, Satish","Efficient Blue and Yellow Organic Light-Emitting Diodes Enabled by Aggregation-Induced Emission.","ACS applied materials & interfaces","2018","10","4","3838","3847","10.1021/acsami.7b11025","","x-ray","0.71073","MoKα","","0.1329","0.0959","","","0.2683","0.2982","","","","","","1.055","","","","has coordinates","206110","2020-10-21","18:00:00",""
"4514374","15.4604","0.0006","15.103","0.0006","17.6028","0.0006","90","","96.846","0.003","90","","4080.9","0.3","100","10","100","10","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H35 N3 O2 -","- C50 H35 N3 O2 -","- C200 H140 N12 O8 -","4","1","","Venkatramaiah, N.; Kumar, G. Dinesh; Chandrasekaran, Yogesh; Ganduri, Ramesh; Patil, Satish","Efficient Blue and Yellow Organic Light-Emitting Diodes Enabled by Aggregation-Induced Emission.","ACS applied materials & interfaces","2018","10","4","3838","3847","10.1021/acsami.7b11025","","","0.71073","MoKα","","0.1683","0.1279","","","0.3043","0.3252","","","","","","1.044","","","","has coordinates","206110","2020-10-21","18:00:00",""
"4514385","6.5654","0.0015","10.974","0.003","11.004","0.002","94.759","0.011","103.001","0.011","106.776","0.01","730.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Uranyl 3,5-pyridinedicarboxylate","","","- C11 H10 N2 O9 U -","- C11 H10 N2 O9 U -","- C22 H20 N4 O18 U2 -","2","1","","Liu, Wei; Dai, Xing; Xie, Jian; Silver, Mark A.; Zhang, Duo; Wang, Yanlong; Cai, Yawen; Diwu, Juan; Wang, Jian; Zhou, Ruhong; Chai, Zhifang; Wang, Shuao","Highly Sensitive Detection of UV Radiation Using a Uranium Coordination Polymer.","ACS applied materials & interfaces","2018","10","5","4844","4850","10.1021/acsami.7b17954","","","0.71073","MoKα","","0.0393","0.034","","","0.0993","0.1048","","","","","","0.906","","","","has coordinates","227492","2020-10-21","18:00:00",""
"4514386","6.5282","0.0006","10.9208","0.0011","10.9233","0.0011","93.983","0.004","106.175","0.004","103.677","0.004","719.04","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Uranyl 3,5-pyridinedicarboxylate","","","- C11 H10 N2 O9 U -","- C11 H10 N2 O9 U -","- C22 H20 N4 O18 U2 -","2","1","","Liu, Wei; Dai, Xing; Xie, Jian; Silver, Mark A.; Zhang, Duo; Wang, Yanlong; Cai, Yawen; Diwu, Juan; Wang, Jian; Zhou, Ruhong; Chai, Zhifang; Wang, Shuao","Highly Sensitive Detection of UV Radiation Using a Uranium Coordination Polymer.","ACS applied materials & interfaces","2018","10","5","4844","4850","10.1021/acsami.7b17954","","","0.71073","MoKα","","0.0266","0.0232","","","0.0507","0.0517","","","","","","1.089","","","","has coordinates","227492","2020-10-21","18:00:00",""
"4514389","11.7874","0.0001","12.6558","0.0001","17.1935","0.0001","106.553","0.001","103.284","0.001","103.641","0.001","2264.59","0.04","120","0.1","120","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C55 H42 Cl2 N4 -","- C55 H42 Cl2 N4 -","- C110 H84 Cl4 N8 -","2","1","","Xiong, Jianbo; Wang, Kai; Yao, Zhaoquan; Zou, Bo; Xu, Jialiang; Bu, Xian-He","Multi-Stimuli-Responsive Fluorescence Switching from a Pyridine-Functionalized Tetraphenylethene AIEgen.","ACS applied materials & interfaces","2018","10","6","5819","5827","10.1021/acsami.7b18718","","","1.54184","CuKα","","0.1144","0.1091","","","0.4104","0.4387","","","","","","1.031","","","","has coordinates","227493","2020-10-21","18:00:00",""
"4514390","37.303","0.005","24.999","0.004","20.771","0.003","90","","93.068","0.005","90","","19342","5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C140 H88 Cd4 N8 O16 -","- C140 H88 Cd4 N8 O16 -","- C560 H352 Cd16 N32 O64 -","4","1","","Zhao, Xiaoyu; Song, Xiaoyu; Li, Yang; Chang, Ze; Chen, Long","Targeted Construction of Light-Harvesting Metal-Organic Frameworks Featuring Efficient Host-Guest Energy Transfer.","ACS applied materials & interfaces","2018","10","6","5633","5640","10.1021/acsami.7b17755","","","0.71073","MoKα","","0.048","0.04","","","0.0933","0.0965","","","","","","1.095","","","","has coordinates","227494","2020-10-21","18:00:00",""
"4514391","16.8306","0.0002","39.0579","0.0005","18.7533","0.0004","90","","95.975","0.002","90","","12260.8","0.3","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C70 H44 Cd2 N4 O8 -","- C70 H44 Cd2 N4 O8 -","- C280 H176 Cd8 N16 O32 -","4","1","","Zhao, Xiaoyu; Song, Xiaoyu; Li, Yang; Chang, Ze; Chen, Long","Targeted Construction of Light-Harvesting Metal-Organic Frameworks Featuring Efficient Host-Guest Energy Transfer.","ACS applied materials & interfaces","2018","10","6","5633","5640","10.1021/acsami.7b17755","","","0.71073","MoKα","","0.0889","0.079","","","0.2383","0.2487","","","","","","1.102","","","","has coordinates","227494","2020-10-21","18:00:00",""
"4514392","21.952","0.004","21.691","0.004","31.674","0.005","90","","90","","90","","15082","5","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C136 H96 Cd8 Cl0 N40 O48 -","- C136 Cd8 N40 O48 -","- C272 Cd16 N80 O96 -","2","0.25","","Tian, Dan; Liu, Xiao-Jing; Feng, Rui; Xu, Jia-Li; Xu, Jian; Chen, Rong-Ying; Huang, Ling; Bu, Xian-He","Microporous Luminescent Metal-Organic Framework for a Sensitive and Selective Fluorescence Sensing of Toxic Mycotoxin in Moldy Sugarcane.","ACS applied materials & interfaces","2018","10","6","5618","5625","10.1021/acsami.7b15764","","","0.71073","MoKα","","0.153","0.1383","","","0.3751","0.3841","","","","","","1.021","","","","has coordinates,has disorder","227495","2020-10-21","18:00:00",""
"4514393","13.8123","0.0014","17.7997","0.0019","13.9287","0.0015","90","","116.496","0.002","90","","3064.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H25 Cl2 N5 -","- C37 H25 Cl2 N5 -","- C148 H100 Cl8 N20 -","4","1","","Song, Wenxuan; Shi, Lijiang; Gao, Lei; Hu, Peijun; Mu, Haichuan; Xia, Zhenyuan; Huang, Jinhai; Su, Jianhua","[1,2,4]Triazolo[1,5-a]pyridine as Building Blocks for Universal Host Materials for High-Performance Red, Green, Blue and White Phosphorescent Organic Light-Emitting Devices.","ACS applied materials & interfaces","2018","10","6","5714","5722","10.1021/acsami.7b18202","","","0.71073","MoKα","","0.0818","0.0529","","","0.1265","0.1413","","","","","","1.034","","","","has coordinates,has disorder","227496","2020-10-21","18:00:00",""
"4514402","9.237","0.011","14.35","0.017","15.229","0.018","64.097","0.015","89.123","0.015","81.153","0.015","1791","4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H19 Cl4 N6 O Zn2 -","- C32 H20 Cl4 N6 Zn2 -","- C64 H40 Cl8 N12 Zn4 -","2","1","","Wang, Ani; Fan, Ruiqing; Zhou, Xuesong; Hao, Sue; Zheng, Xubin; Yang, Yulin","Hot-Pressing Method To Prepare Imidazole-Based Zn(II) Metal-Organic Complexes Coatings for Highly Efficient Air Filtration.","ACS applied materials & interfaces","2018","10","11","9744","9755","10.1021/acsami.8b01287","","","0.71073","MoKα","","0.1775","0.079","","","0.2123","0.267","","","","","","1.178","","","","has coordinates","227498","2020-10-21","18:00:00",""
"4514403","5.0799","0.0002","11.1129","0.0005","15.2119","0.0004","83.859","0.003","87.033","0.003","83.521","0.003","847.68","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H20 Ca I2.4 O8 -","- C34 H20 Ca I2.4074 O8 -","- C34 H20 Ca I2.4074 O8 -","1","0.5","","Banerjee, Debasis; Chen, Xianyin; Lobanov, Sergey S.; Plonka, Anna M.; Chan, Xiaojun; Daly, John A.; Kim, Taejin; Thallapally, Praveen K.; Parise, John B.","Iodine Adsorption in Metal Organic Frameworks in the Presence of Humidity.","ACS applied materials & interfaces","2018","10","13","10622","10626","10.1021/acsami.8b02651","","","0.71073","MoKα","","0.043","0.0353","","","0.0846","0.0893","","","","","","1.048","","","","has coordinates","227497","2020-10-21","18:00:00",""
"4515269","9.1428","0.0002","10.2642","0.0002","16.5067","0.0004","103.037","0.001","103.071","0.001","99.681","0.001","1430.27","0.06","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H20 F6 N5 P Pt -","- C31 H20 F6 N5 P Pt -","- C62 H40 F12 N10 P2 Pt2 -","2","1","","Delcanale, Pietro; Galstyan, Anzhela; Daniliuc, Constantin G.; Grecco, Hernan E.; Abbruzzetti, Stefania; Faust, Andreas; Viappiani, Cristiano; Strassert, Cristian A.","Oxygen-Insensitive Aggregates of Pt(II) Complexes as Phosphorescent Labels of Proteins with Luminescence Lifetime-Based Readouts.","ACS applied materials & interfaces","2018","10","29","24361","24369","10.1021/acsami.8b02709","","","0.71073","MoKα","","0.0236","0.0232","","","0.0609","0.0612","","","","","","1.053","","","","has coordinates","225436","2020-10-21","18:00:00",""
"4515270","3.882342","0.000057","3.882342","0.000057","11.10258","0.00024","90","","90","","90","","167.345","0.005","300","","300","","","","","","","","","5","P 4/m m m","-P 4 2","123","","","","- Bi0.02 La0.98 O7 Rb Ta2 -","- Bi0.02 La0.98 O7 Rb Ta2 -","- Bi0.02 La0.98 O7 Rb Ta2 -","1","0.0625","","Zhou, Guojun; Jiang, Xingxing; Zhao, Jing; Molokeev, Maxim; Lin, Zheshuai; Liu, Quanlin; Xia, Zhiguo","Two-Dimensional-Layered Perovskite ALaTa<sub>2</sub>O<sub>7</sub>:Bi<sup>3+</sup> (A = K and Na) Phosphors with Versatile Structures and Tunable Photoluminescence.","ACS applied materials & interfaces","2018","10","29","24648","24655","10.1021/acsami.8b08129","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.72","1.828","","","","","","","has coordinates","225437","2020-10-21","18:00:00",""
"4515271","3.895841","0.000086","3.895841","0.000086","25.81201","0.00078","90","","90","","90","","391.764","0.017","300","","300","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- Bi0.04 La1.96 Na2 O16.77 Ta4 -","- Bi0.04 La1.96 Na2 O16.768 Ta4 -","- Bi0.04 La1.96 Na2 O16.768 Ta4 -","1","0.03125","","Zhou, Guojun; Jiang, Xingxing; Zhao, Jing; Molokeev, Maxim; Lin, Zheshuai; Liu, Quanlin; Xia, Zhiguo","Two-Dimensional-Layered Perovskite ALaTa<sub>2</sub>O<sub>7</sub>:Bi<sup>3+</sup> (A = K and Na) Phosphors with Versatile Structures and Tunable Photoluminescence.","ACS applied materials & interfaces","2018","10","29","24648","24655","10.1021/acsami.8b08129","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.05","2.08","","","","","","","has coordinates","225438","2020-10-21","18:00:00",""
"4515272","3.899257","0.000075","21.90051","0.00056","3.883766","0.00008","90","","90","","90","","331.657","0.013","300","","300","","","","","","","","","5","C m m m","-C 2 2","65","","","","- Bi0.04 K2 La1.96 O14 Ta4 -","- Bi0.04 K2 La1.96 O14 Ta4 -","- Bi0.04 K2 La1.96 O14 Ta4 -","1","0.0625","","Zhou, Guojun; Jiang, Xingxing; Zhao, Jing; Molokeev, Maxim; Lin, Zheshuai; Liu, Quanlin; Xia, Zhiguo","Two-Dimensional-Layered Perovskite ALaTa<sub>2</sub>O<sub>7</sub>:Bi<sup>3+</sup> (A = K and Na) Phosphors with Versatile Structures and Tunable Photoluminescence.","ACS applied materials & interfaces","2018","10","29","24648","24655","10.1021/acsami.8b08129","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.92","1.927","","","","","","","has coordinates","225439","2020-10-21","18:00:00",""
"4515273","12.2446","0.0004","9.4399","0.0004","27.8334","0.001","90","","94.697","0.003","90","","3206.4","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C73 H65 Br2 Cl2 N2 -","- C73 H66 Br2 Cl2 N2 -","- C146 H132 Br4 Cl4 N4 -","2","1","","Li, Nan; Liu, Yan Yan; Li, Yan; Zhuang, Jia Bao; Cui, Rong Rong; Gong, Qian; Zhao, Na; Tang, Ben Zhong","Fine Tuning of Emission Behavior, Self-Assembly, Anion Sensing, and Mitochondria Targeting of Pyridinium-Functionalized Tetraphenylethene by Alkyl Chain Engineering.","ACS applied materials & interfaces","2018","10","28","24249","24257","10.1021/acsami.8b04113","","","1.54178","CuKα","","0.1051","0.0796","","","0.2284","0.2594","","","","","","1.049","","","","has coordinates,has disorder","225441","2020-10-21","18:00:00",""
"4515274","12.469","0.002","9.4902","0.0016","58.072","0.013","90","","90.163","0.019","90","","6872","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39.5 H41 Br Cl N O -","- C39.5 H41 Br Cl N O -","- C316 H328 Br8 Cl8 N8 O8 -","8","2","","Li, Nan; Liu, Yan Yan; Li, Yan; Zhuang, Jia Bao; Cui, Rong Rong; Gong, Qian; Zhao, Na; Tang, Ben Zhong","Fine Tuning of Emission Behavior, Self-Assembly, Anion Sensing, and Mitochondria Targeting of Pyridinium-Functionalized Tetraphenylethene by Alkyl Chain Engineering.","ACS applied materials & interfaces","2018","10","28","24249","24257","10.1021/acsami.8b04113","","","1.54178","CuKα","","0.242","0.1206","","","0.2312","0.2976","","","","","","1.066","","","","has coordinates,has disorder","225442","2020-10-21","18:00:00",""
"4515275","25.6353","0.0016","10.4616","0.0007","21.7893","0.0015","90","","110.438","0.001","90","","5475.7","0.6","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17.5 H18.5 Dy2 N2 O12 -","- C17.5 H18.5 Dy2 N2 O12 -","- C140 H148 Dy16 N16 O96 -","8","1","","Zhang, Qiangsheng; Wang, Jun; Kirillov, Alexander M.; Dou, Wei; Xu, Cong; Xu, Cailing; Yang, Lizi; Fang, Ran; Liu, Weisheng","Multifunctional Ln-MOF Luminescent Probe for Efficient Sensing of Fe<sup>3+</sup>, Ce<sup>3+</sup>, and Acetone.","ACS applied materials & interfaces","2018","10","28","23976","23986","10.1021/acsami.8b06103","","","0.71073","MoKα","","0.0372","0.0278","","","0.0663","0.0695","","","","","","1.031","","","","has coordinates","225443","2020-10-21","18:00:00",""
"4515276","25.594","0.004","10.306","0.0015","21.68","0.003","90","","109.638","0.002","90","","5385.9","1.4","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17.5 H17.5 Er2 N2 O12 -","- C17.5 H17.5 Er2 N2 O12 -","- C140 H140 Er16 N16 O96 -","8","1","","Zhang, Qiangsheng; Wang, Jun; Kirillov, Alexander M.; Dou, Wei; Xu, Cong; Xu, Cailing; Yang, Lizi; Fang, Ran; Liu, Weisheng","Multifunctional Ln-MOF Luminescent Probe for Efficient Sensing of Fe<sup>3+</sup>, Ce<sup>3+</sup>, and Acetone.","ACS applied materials & interfaces","2018","10","28","23976","23986","10.1021/acsami.8b06103","","","0.71073","MoKα","","0.0377","0.0287","","","0.0744","0.0778","","","","","","1.035","","","","has coordinates","225444","2020-10-21","18:00:00",""
"4515277","25.809","0.005","10.2855","0.0016","21.999","0.004","90","","110.4","0.003","90","","5473.6","1.7","100.15","","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17.5 H17.5 Gd2 N2 O12 -","- C17.5 H17.5 Gd2 N2 O12 -","- C140 H140 Gd16 N16 O96 -","8","1","","Zhang, Qiangsheng; Wang, Jun; Kirillov, Alexander M.; Dou, Wei; Xu, Cong; Xu, Cailing; Yang, Lizi; Fang, Ran; Liu, Weisheng","Multifunctional Ln-MOF Luminescent Probe for Efficient Sensing of Fe<sup>3+</sup>, Ce<sup>3+</sup>, and Acetone.","ACS applied materials & interfaces","2018","10","28","23976","23986","10.1021/acsami.8b06103","","","0.71073","MoKα","","0.0416","0.0373","","","0.0856","0.0875","","","","","","1.07","","","","has coordinates","225445","2020-10-21","18:00:00",""
"4515278","25.81","0.015","10.557","0.005","22.042","0.014","90","","111.294","0.013","90","","5596","6","100.15","","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H33 Eu4 N3 O24 -","- C32 H33 Eu4 N3 O24 -","- C128 H132 Eu16 N12 O96 -","4","0.5","","Zhang, Qiangsheng; Wang, Jun; Kirillov, Alexander M.; Dou, Wei; Xu, Cong; Xu, Cailing; Yang, Lizi; Fang, Ran; Liu, Weisheng","Multifunctional Ln-MOF Luminescent Probe for Efficient Sensing of Fe<sup>3+</sup>, Ce<sup>3+</sup>, and Acetone.","ACS applied materials & interfaces","2018","10","28","23976","23986","10.1021/acsami.8b06103","","","0.71073","MoKα","","0.1077","0.0971","","","0.2182","0.2226","","","","","","1.208","","","","has coordinates,has disorder","225446","2020-10-21","18:00:00",""
"4515279","26","0.03","10.644","0.015","22.23","0.03","90","","110.537","0.018","90","","5761","13","100.15","","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H33 N3 O24 Tb4 -","- C32 H33 N3 O24 Tb4 -","- C128 H132 N12 O96 Tb16 -","4","0.5","","Zhang, Qiangsheng; Wang, Jun; Kirillov, Alexander M.; Dou, Wei; Xu, Cong; Xu, Cailing; Yang, Lizi; Fang, Ran; Liu, Weisheng","Multifunctional Ln-MOF Luminescent Probe for Efficient Sensing of Fe<sup>3+</sup>, Ce<sup>3+</sup>, and Acetone.","ACS applied materials & interfaces","2018","10","28","23976","23986","10.1021/acsami.8b06103","","","0.71073","MoKα","","0.1056","0.0767","","","0.2132","0.2404","","","","","","0.978","","","","has coordinates,has disorder","225447","2020-10-21","18:00:00",""
"4515280","5.0163","0.0002","19.3714","0.0008","24.5442","0.001","90","","90","","90","","2385.03","0.17","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H25 N O5 -","- C30 H25 N O5 -","- C120 H100 N4 O20 -","4","1","","Arnon, Zohar A.; Pinotsi, Dorothea; Schmidt, Matthias; Gilead, Sharon; Guterman, Tom; Sadhanala, Aditya; Ahmad, Shahab; Levin, Aviad; Walther, Paul; Kaminski, Clemens F.; Fändrich, Marcus; Kaminski Schierle, Gabriele S.; Adler-Abramovich, Lihi; Shimon, Linda J. W.; Gazit, Ehud","Opal-like Multicolor Appearance of Self-Assembled Photonic Array.","ACS applied materials & interfaces","2018","10","24","20783","20789","10.1021/acsami.8b04912","","","1.54178","CuKα","","0.152","0.073","","","0.1489","0.1809","","","","","","1.102","","","","has coordinates","225448","2020-10-21","18:00:00",""
"4515281","18.6707","0.0009","18.6707","0.0009","39.262","0.006","90","","90","","120","","11853","2","293","2","293","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C28 H20 Cu2 O12 -","- C28 H16 Cu2 O12 -","- C252 H144 Cu18 O108 -","9","0.25","","Wang, Yao; He, Minghui; Gao, Xiaoxia; Li, Saidan; Xiong, Shunshun; Krishna, Rajamani; He, Yabing","Exploring the Effect of Ligand-Originated MOF Isomerism and Methoxy Group Functionalization on Selective Acetylene/Methane and Carbon Dioxide/Methane Adsorption Properties in Two NbO-Type MOFs.","ACS applied materials & interfaces","2018","10","24","20559","20568","10.1021/acsami.8b05216","","","0.71073","MoKα","","0.1159","0.0861","","","0.2342","0.243","","","","","","1.603","","","","has coordinates","225449","2020-10-21","18:00:00",""
"4515282","32.3534","0.0009","18.2884","0.0004","32.7902","0.0011","90","","111.698","0.004","90","","18027","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Cu6 O36 -","- C84 H60 Cu6 O36 -","- C336 H240 Cu24 O144 -","4","0.5","","Wang, Yao; He, Minghui; Gao, Xiaoxia; Li, Saidan; Xiong, Shunshun; Krishna, Rajamani; He, Yabing","Exploring the Effect of Ligand-Originated MOF Isomerism and Methoxy Group Functionalization on Selective Acetylene/Methane and Carbon Dioxide/Methane Adsorption Properties in Two NbO-Type MOFs.","ACS applied materials & interfaces","2018","10","24","20559","20568","10.1021/acsami.8b05216","","","0.71073","MoKα","","0.1248","0.1006","","","0.2941","0.324","","","","","","1.074","","","","has coordinates,has disorder","225450","2020-10-21","18:00:00",""
"4515283","31.681","0.006","13.796","0.003","51.247","0.01","90","","100.14","0.03","90","","22049","8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C81 H80 Cl2 N2 O22 Zr6 -","- C81 H80 Cl2 N2 O22 Zr6 -","- C648 H640 Cl16 N16 O176 Zr48 -","8","2","","Lee, Soochan; Lee, Jeong Hyeon; Kim, Jin Chul; Lee, Sungmin; Kwak, Sang Kyu; Choe, Wonyoung","Porous Zr<sub>6</sub>L<sub>3</sub> Metallocage with Synergetic Binding Centers for CO<sub>2</sub>.","ACS applied materials & interfaces","2018","10","10","8685","8691","10.1021/acsami.7b18836","","","0.71073","MoKα","","0.0572","0.052","","","0.1452","0.1486","","","","","","1.051","","","","has coordinates","225451","2020-10-21","18:00:00",""
"4515284","13.093","0.003","20.8","0.004","39.643","0.008","90","","94.91","0.03","90","","10757","4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C72 H60 Cl2 N0 O26 S3 Zr6 -","- C72 H60 Cl2 O26 S3 Zr6 -","- C288 H240 Cl8 O104 S12 Zr24 -","4","2","","Lee, Soochan; Lee, Jeong Hyeon; Kim, Jin Chul; Lee, Sungmin; Kwak, Sang Kyu; Choe, Wonyoung","Porous Zr<sub>6</sub>L<sub>3</sub> Metallocage with Synergetic Binding Centers for CO<sub>2</sub>.","ACS applied materials & interfaces","2018","10","10","8685","8691","10.1021/acsami.7b18836","","","0.71073","MoKα","","0.06","0.0569","","","0.1486","0.1506","","","","","","1.078","","","","has coordinates","225452","2020-10-21","18:00:00",""
"4515285","33.167","0.002","15.2803","0.0009","13.9377","0.0008","90","","106.082","0.005","90","","6787.2","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H28 Co N7 O7 -","- C38 H26 Co N7 O7 -","- C304 H208 Co8 N56 O56 -","8","1","","Wang, Kuaibing; Cao, Xiaoran; Wang, Saier; Zhao, Wenjia; Xu, Jiangyan; Wang, Zikai; Wu, Hua","Interpenetrated and Polythreaded Co<sup>II</sup>-Organic Frameworks as a Supercapacitor Electrode Material with Ultrahigh Capacity and Excellent Energy Delivery Efficiency.","ACS applied materials & interfaces","2018","10","10","9104","9115","10.1021/acsami.7b16141","","","0.71073","MoKα","","0.046","0.0372","","","0.0959","0.1027","","","","","","1.047","","","","has coordinates","225453","2020-10-21","18:00:00",""
"4515286","9.162","0.0006","11.9825","0.0008","16.9489","0.0011","70.984","0.002","88.1","0.003","86.683","0.003","1756","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H30 Co N7 O8 -","- C38 H26 Co N7 O8 -","- C76 H52 Co2 N14 O16 -","2","1","","Wang, Kuaibing; Cao, Xiaoran; Wang, Saier; Zhao, Wenjia; Xu, Jiangyan; Wang, Zikai; Wu, Hua","Interpenetrated and Polythreaded Co<sup>II</sup>-Organic Frameworks as a Supercapacitor Electrode Material with Ultrahigh Capacity and Excellent Energy Delivery Efficiency.","ACS applied materials & interfaces","2018","10","10","9104","9115","10.1021/acsami.7b16141","","","0.71073","MoKα","","0.0491","0.0439","","","0.1293","0.1339","","","","","","1.067","","","","has coordinates","225453","2020-10-21","18:00:00",""
"4515287","9.061","0.002","10.968","0.003","17.363","0.004","95.192","0.004","101.041","0.004","92.289","0.004","1683.8","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H26 Co N7 O6 -","- C38 H26 Co N7 O6 -","- C76 H52 Co2 N14 O12 -","2","1","","Wang, Kuaibing; Cao, Xiaoran; Wang, Saier; Zhao, Wenjia; Xu, Jiangyan; Wang, Zikai; Wu, Hua","Interpenetrated and Polythreaded Co<sup>II</sup>-Organic Frameworks as a Supercapacitor Electrode Material with Ultrahigh Capacity and Excellent Energy Delivery Efficiency.","ACS applied materials & interfaces","2018","10","10","9104","9115","10.1021/acsami.7b16141","","","0.71073","MoKα","","0.0396","0.0333","","","0.093","0.1005","","","","","","1.044","","","","has coordinates","225453","2020-10-21","18:00:00",""
"4515288","6.9996","0.0007","10.0807","0.001","14.6724","0.0015","90","","103.567","0.001","90","","1006.41","0.18","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H14 N4 -","- C28 H14 N4 -","- C56 H28 N8 -","2","0.5","","Yang, Yuying; Liu, Guangfeng; Liu, Jie; Wei, Mengmeng; Wang, Zhongxuan; Hao, Xiaotao; Maheswar Repaka, D. V.; Ramanujan, Raju V.; Tao, Xutang; Qin, Wei; Zhang, Qichun","Anisotropic Magnetoelectric Coupling and Cotton-Mouton Effects in the Organic Magnetic Charge-Transfer Complex Pyrene-F<sub>4</sub>TCNQ.","ACS applied materials & interfaces","2018","10","51","44654","44659","10.1021/acsami.8b16848","","","0.71073","MoKα","","0.0415","0.0344","","","0.1195","0.1311","","","","","","1.064","","","","has coordinates","225454","2020-10-21","18:00:00",""
"4515289","6.5612","0.0015","18.654","0.004","8.5145","0.0019","90","","99.983","0.003","90","","1026.3","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H10 F4 N4 -","- C28 H10 F4 N4 -","- C56 H20 F8 N8 -","2","0.5","","Yang, Yuying; Liu, Guangfeng; Liu, Jie; Wei, Mengmeng; Wang, Zhongxuan; Hao, Xiaotao; Maheswar Repaka, D. V.; Ramanujan, Raju V.; Tao, Xutang; Qin, Wei; Zhang, Qichun","Anisotropic Magnetoelectric Coupling and Cotton-Mouton Effects in the Organic Magnetic Charge-Transfer Complex Pyrene-F<sub>4</sub>TCNQ.","ACS applied materials & interfaces","2018","10","51","44654","44659","10.1021/acsami.8b16848","","","0.71073","MoKα","","0.0525","0.039","","","0.1178","0.1313","","","","","","0.934","","","","has coordinates","225455","2020-10-21","18:00:00",""
"4515290","8.919","0.002","26.62","0.007","17.322","0.005","90","","100.392","0.004","90","","4045.2","1.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H12 F N4 -","- C28 H12 F N4 -","- C224 H96 F8 N32 -","8","2","","Yang, Yuying; Liu, Guangfeng; Liu, Jie; Wei, Mengmeng; Wang, Zhongxuan; Hao, Xiaotao; Maheswar Repaka, D. V.; Ramanujan, Raju V.; Tao, Xutang; Qin, Wei; Zhang, Qichun","Anisotropic Magnetoelectric Coupling and Cotton-Mouton Effects in the Organic Magnetic Charge-Transfer Complex Pyrene-F<sub>4</sub>TCNQ.","ACS applied materials & interfaces","2018","10","51","44654","44659","10.1021/acsami.8b16848","","","0.71073","MoKα","","0.2329","0.0795","","","0.1643","0.2261","","","","","","0.923","","","","has coordinates,has disorder","225456","2020-10-21","18:00:00",""
"4515291","14.9714","0.0017","11.0724","0.0013","9.5523","0.0011","90","","102.998","0.002","90","","1542.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H8 Cl N2 O5 Re -","- C15 H8 Cl N2 O5 Re -","- C60 H32 Cl4 N8 O20 Re4 -","4","1","","Johnson, Eric M.; Haiges, Ralf; Marinescu, Smaranda C.","Covalent-Organic Frameworks Composed of Rhenium Bipyridine and Metal Porphyrins: Designing Heterobimetallic Frameworks with Two Distinct Metal Sites.","ACS applied materials & interfaces","2018","10","44","37919","37927","10.1021/acsami.8b07795","","","0.71073","MoKα","","0.0561","0.0347","","","0.0745","0.0818","","","","","","1.04","","","","has coordinates","225457","2020-10-21","18:00:00",""
"4515292","10.8008","0.0005","10.8008","0.0005","10.8008","0.0005","90","","90","","90","","1259.99","0.1","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Al11.4 Ba8 Ge34.6 -","- Al11.402 Ba8 Ge34.472 -","- Al11.402 Ba8 Ge34.472 -","1","0.0208333","","Dopilka, Andrew; Zhao, Ran; Weller, J. Mark; Bobev, Svilen; Peng, Xihong; Chan, Candace K.","Experimental and Computational Study of the Lithiation of Ba<sub>8</sub>Al <sub>y</sub>Ge<sub>46- y</sub> Based Type I Germanium Clathrates.","ACS applied materials & interfaces","2018","10","44","37981","37993","10.1021/acsami.8b11509","","","0.71073","MoKα","","0.0311","0.0256","","","0.0521","0.0535","","","","","","1.133","","","","has coordinates","225458","2020-10-21","18:00:00",""
"4515293","10.7411","0.001","10.7411","0.001","10.7411","0.001","90","","90","","90","","1239.2","0.2","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Al6.1 Ba8 Ge37.9 -","- Al6.118 Ba8 Ge37.884 -","- Al6.118 Ba8 Ge37.884 -","1","0.0208333","","Dopilka, Andrew; Zhao, Ran; Weller, J. Mark; Bobev, Svilen; Peng, Xihong; Chan, Candace K.","Experimental and Computational Study of the Lithiation of Ba<sub>8</sub>Al <sub>y</sub>Ge<sub>46- y</sub> Based Type I Germanium Clathrates.","ACS applied materials & interfaces","2018","10","44","37981","37993","10.1021/acsami.8b11509","","","0.71073","MoKα","","0.0366","0.0278","","","0.0596","0.0621","","","","","","1.102","","","","has coordinates","225459","2020-10-21","18:00:00",""
"4515294","10.8385","0.0017","10.8385","0.0017","10.8385","0.0017","90","","90","","90","","1273.2","0.3","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Al13.9 Ba8 Ge32.1 -","- Al13.908 Ba8 Ge32.092 -","- Al13.908 Ba8 Ge32.092 -","1","0.0208333","","Dopilka, Andrew; Zhao, Ran; Weller, J. Mark; Bobev, Svilen; Peng, Xihong; Chan, Candace K.","Experimental and Computational Study of the Lithiation of Ba<sub>8</sub>Al <sub>y</sub>Ge<sub>46- y</sub> Based Type I Germanium Clathrates.","ACS applied materials & interfaces","2018","10","44","37981","37993","10.1021/acsami.8b11509","","","0.71073","MoKα","","0.0495","0.0312","","","0.06","0.064","","","","","","1.034","","","","has coordinates","225460","2020-10-21","18:00:00",""
"4515295","10.8425","0.0006","10.8425","0.0006","10.8425","0.0006","90","","90","","90","","1274.64","0.12","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Al14.5 Ba8 Ge31.5 -","- Al14.31 Ba8 Ge31.69 -","- Al14.31 Ba8 Ge31.69 -","1","0.0208333","","Dopilka, Andrew; Zhao, Ran; Weller, J. Mark; Bobev, Svilen; Peng, Xihong; Chan, Candace K.","Experimental and Computational Study of the Lithiation of Ba<sub>8</sub>Al <sub>y</sub>Ge<sub>46- y</sub> Based Type I Germanium Clathrates.","ACS applied materials & interfaces","2018","10","44","37981","37993","10.1021/acsami.8b11509","","","0.71073","MoKα","","0.0338","0.0214","","","0.0368","0.0396","","","","","","1.039","","","","has coordinates","225461","2020-10-21","18:00:00",""
"4515296","10.819","0.003","10.819","0.003","10.819","0.003","90","","90","","90","","1266.4","0.6","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Al15.6 Ba8 Ge30.4 -","- Al15.53 Ba8 Ge30.47 -","- Al15.53 Ba8 Ge30.47 -","1","0.0208333","","Dopilka, Andrew; Zhao, Ran; Weller, J. Mark; Bobev, Svilen; Peng, Xihong; Chan, Candace K.","Experimental and Computational Study of the Lithiation of Ba<sub>8</sub>Al <sub>y</sub>Ge<sub>46- y</sub> Based Type I Germanium Clathrates.","ACS applied materials & interfaces","2018","10","44","37981","37993","10.1021/acsami.8b11509","","","0.71073","MoKα","","0.0598","0.0346","","","0.0693","0.0771","","","","","","0.947","","","","has coordinates","225462","2020-10-21","18:00:00",""
"4515297","10.6335","0.0015","10.6335","0.0015","10.6335","0.0015","90","","90","","90","","1202.3","0.3","200","2","200","2","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Ba8 Ge42.8 -","- Ba8 Ge42.784 -","- Ba8 Ge42.784 -","1","0.0208333","","Dopilka, Andrew; Zhao, Ran; Weller, J. Mark; Bobev, Svilen; Peng, Xihong; Chan, Candace K.","Experimental and Computational Study of the Lithiation of Ba<sub>8</sub>Al <sub>y</sub>Ge<sub>46- y</sub> Based Type I Germanium Clathrates.","ACS applied materials & interfaces","2018","10","44","37981","37993","10.1021/acsami.8b11509","","","0.71073","MoKα","","0.0472","0.0314","","","0.0557","0.0601","","","","","","1.025","","","","has coordinates","225463","2020-10-21","18:00:00",""
"4515298","44.73","0.006","44.73","0.006","62.671","0.013","90","","90","","120","","108591","3","293","2","293","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C124 H218 Cu8 N40 O46 S -","- C48 H18 Cu8 N24 O22 S -","- C864 H324 Cu144 N432 O396 S18 -","18","0.5","","Wang, Dongmei; Zhang, Jian; Li, Guanghua; Yuan, Jiaqi; Li, Jiantang; Huo, Qisheng; Liu, Yunling","Mesoporous Hexanuclear Copper Cluster-Based Metal-Organic Framework with Highly Selective Adsorption of Gas and Organic Dye Molecules.","ACS applied materials & interfaces","2018","10","37","31233","31239","10.1021/acsami.8b06340","","","0.71073","MoKα","","0.1393","0.0604","","","0.1297","0.1476","","","","","","0.842","","","","has coordinates","225464","2020-10-21","18:00:00",""
"4515299","25","0.005","25","0.005","33.342","0.005","90","0.005","90","0.005","120","0.005","18047","6","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C60 H46 Cu6 N42 O64 P2 W18 -","- C60 H42 Cu6 N42 O62 P2 W18 -","- C360 H252 Cu36 N252 O372 P12 W108 -","6","0.333333","","Zhang, Li; Li, Shaobin; Gómez-García, Carlos J; Ma, Huiyuan; Zhang, Chunjing; Pang, Haijun; Li, Bonan","Two Novel Polyoxometalate-Encapsulated Metal-Organic Nanotube Frameworks as Stable and Highly Efficient Electrocatalysts for Hydrogen Evolution Reaction.","ACS applied materials & interfaces","2018","10","37","31498","31504","10.1021/acsami.8b10447","","","0.71069","MoKα","","0.053","0.0366","","","0.0864","0.0928","","","","","","0.898","","","","has coordinates","225465","2020-10-21","18:00:00",""
"4515300","24.991","0.005","24.991","0.005","33.361","0.005","90","0.005","90","0.005","120","0.005","18044","6","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C60 H46 As2 Cu6 N42 O64 W18 -","- C60 H42 As2 Cu6 N42 O62 W18 -","- C360 H252 As12 Cu36 N252 O372 W108 -","6","0.333333","","Zhang, Li; Li, Shaobin; Gómez-García, Carlos J; Ma, Huiyuan; Zhang, Chunjing; Pang, Haijun; Li, Bonan","Two Novel Polyoxometalate-Encapsulated Metal-Organic Nanotube Frameworks as Stable and Highly Efficient Electrocatalysts for Hydrogen Evolution Reaction.","ACS applied materials & interfaces","2018","10","37","31498","31504","10.1021/acsami.8b10447","","","0.71069","MoKα","","0.1425","0.0693","","","0.1837","0.2343","","","","","","0.944","","","","has coordinates","225467","2020-10-21","18:00:00",""
"4515301","16.155","0.0009","15.9078","0.0007","44.217","0.003","90","","90","","90","","11363.3","1.1","172.6","","172.6","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C81 H60 Co4 N8 O24 -","- C81 H60 Co4 N8 O24 -","- C324 H240 Co16 N32 O96 -","4","0.5","","Duan, Jingui; Yan, Rui; Qin, Linlin; Wang, Yong; Wen, Lili; Cheng, Shaoxiao; Xu, Hui; Feng, Pingyun","Highly Selective Gaseous and Liquid-Phase Separation over a Novel Cobalt(II) Metal-Organic Framework.","ACS applied materials & interfaces","2018","10","27","23009","23017","10.1021/acsami.8b02714","","","0.71073","MoKα","","0.0972","0.0634","","","0.1639","0.182","","","","","","1.03","","","","has coordinates","225468","2020-10-21","18:00:00",""
"4515302","40.9391","0.0011","11.4058","0.0004","22.6428","0.0007","90","","91.146","0.002","90","","10570.8","0.6","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C56 H60 O11 -","- C56 H60 O11 -","- C448 H480 O88 -","8","2","","Li, Errui; Jie, Kecheng; Zhou, Yujuan; Zhao, Run; Zhang, Bo; Wang, Qi; Liu, Jiyong; Huang, Feihe","Aliphatic Aldehyde Detection and Adsorption by Nonporous Adaptive Pillar[4]arene[1]quinone Crystals with Vapochromic Behavior.","ACS applied materials & interfaces","2018","10","27","23147","23153","10.1021/acsami.8b06396","","","0.71073","MoKα","","0.1053","0.0763","","","0.1928","0.2173","","","","","","1.01","","","","has coordinates,has disorder","225469","2020-10-21","18:00:00",""
"4515303","40.8447","0.0015","11.5057","0.0004","22.7109","0.0009","90","","91.315","0.003","90","","10670.1","0.7","172.8","","172.8","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C57 H60 O11 -","- C57 H60 O11 -","- C456 H480 O88 -","8","2","","Li, Errui; Jie, Kecheng; Zhou, Yujuan; Zhao, Run; Zhang, Bo; Wang, Qi; Liu, Jiyong; Huang, Feihe","Aliphatic Aldehyde Detection and Adsorption by Nonporous Adaptive Pillar[4]arene[1]quinone Crystals with Vapochromic Behavior.","ACS applied materials & interfaces","2018","10","27","23147","23153","10.1021/acsami.8b06396","","","0.71073","MoKα","","0.1507","0.1211","","","0.3073","0.3265","","","","","","1.071","","","","has coordinates,has disorder","225470","2020-10-21","18:00:00",""
"4515304","13.6097","0.0012","18.0867","0.0011","21.2266","0.0014","90","","95.041","0.007","90","","5204.8","0.7","150","2","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C54 H60 O11 -","- C54 H60 O11 -","- C216 H240 O44 -","4","1","","Li, Errui; Jie, Kecheng; Zhou, Yujuan; Zhao, Run; Zhang, Bo; Wang, Qi; Liu, Jiyong; Huang, Feihe","Aliphatic Aldehyde Detection and Adsorption by Nonporous Adaptive Pillar[4]arene[1]quinone Crystals with Vapochromic Behavior.","ACS applied materials & interfaces","2018","10","27","23147","23153","10.1021/acsami.8b06396","","","0.71073","MoKα","","0.1577","0.0802","","","0.2251","0.2901","","","","","","1.044","","","","has coordinates","225471","2020-10-21","18:00:00",""
"4515305","16.5267","0.0006","10.5283","0.0003","18.7054","0.0006","90","","90","","90","","3254.7","0.18","304","2","304","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C45 H29 N5 -","- C45 H29 N5 -","- C180 H116 N20 -","4","1","","Oh, Chan Seok; Pereira, Daniel de Sa; Han, Si Hyun; Park, Hee-Jun; Higginbotham, Heather F.; Monkman, Andrew P.; Lee, Jun Yeob","Dihedral Angle Control of Blue Thermally Activated Delayed Fluorescent Emitters through Donor Substitution Position for Efficient Reverse Intersystem Crossing.","ACS applied materials & interfaces","2018","10","41","35420","35429","10.1021/acsami.8b10595","","","0.71073","MoKα","","0.0757","0.045","","","0.0871","0.0973","","","","","","1.099","","","","has coordinates","225472","2020-10-21","18:00:00",""
"4515306","11.1768","0.0011","12.6856","0.0012","15.1208","0.0013","84.883","0.004","69.738","0.004","77.024","0.004","1959.7","0.3","306","2","306","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H37 N5 -","- C52 H37 N5 -","- C104 H74 N10 -","2","1","","Oh, Chan Seok; Pereira, Daniel de Sa; Han, Si Hyun; Park, Hee-Jun; Higginbotham, Heather F.; Monkman, Andrew P.; Lee, Jun Yeob","Dihedral Angle Control of Blue Thermally Activated Delayed Fluorescent Emitters through Donor Substitution Position for Efficient Reverse Intersystem Crossing.","ACS applied materials & interfaces","2018","10","41","35420","35429","10.1021/acsami.8b10595","","","0.71073","MoKα","","0.186","0.0713","","","0.1312","0.1658","","","","","","1.007","","","","has coordinates","225473","2020-10-21","18:00:00",""
"4515307","9.7433","0.0012","12.4576","0.0014","14.0248","0.0017","89.494","0.006","75.884","0.006","85.842","0.006","1646.5","0.3","305","2","305","2","","","","","","","","3","P -1","-P 1","2","","","","- C45 H29 N5 -","- C45 H29 N5 -","- C90 H58 N10 -","2","1","","Oh, Chan Seok; Pereira, Daniel de Sa; Han, Si Hyun; Park, Hee-Jun; Higginbotham, Heather F.; Monkman, Andrew P.; Lee, Jun Yeob","Dihedral Angle Control of Blue Thermally Activated Delayed Fluorescent Emitters through Donor Substitution Position for Efficient Reverse Intersystem Crossing.","ACS applied materials & interfaces","2018","10","41","35420","35429","10.1021/acsami.8b10595","","","0.71073","MoKα","","0.1784","0.0758","","","0.1264","0.1587","","","","","","1.054","","","","has coordinates","225474","2020-10-21","18:00:00",""
"4515308","9.4377","0.0006","19.5438","0.0012","17.6109","0.0009","90","","91.629","0.002","90","","3247","0.3","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C45 H29 N5 -","- C45 H29 N5 -","- C180 H116 N20 -","4","1","","Oh, Chan Seok; Pereira, Daniel de Sa; Han, Si Hyun; Park, Hee-Jun; Higginbotham, Heather F.; Monkman, Andrew P.; Lee, Jun Yeob","Dihedral Angle Control of Blue Thermally Activated Delayed Fluorescent Emitters through Donor Substitution Position for Efficient Reverse Intersystem Crossing.","ACS applied materials & interfaces","2018","10","41","35420","35429","10.1021/acsami.8b10595","","","0.71073","MoKα","","0.172","0.0689","","","0.1083","0.1368","","","","","","1.052","","","","has coordinates","225475","2020-10-21","18:00:00",""
"4515309","16.3125","0.0004","16.3125","0.0004","7.5267","0.0003","90","","90","","120","","1734.51","0.09","150","2","150","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C21 H12 Co N13 -","- C21 H12 Co N13 -","- C42 H24 Co2 N26 -","2","0.0833333","","Zhang, Jindan; Ouyang, Jun; Ye, Yingxiang; Li, Ziyin; Lin, Quanjie; Chen, Ting; Zhang, Zhangjing; Xiang, Shengchang","Mixed-Valence Cobalt(II/III) Metal-Organic Framework for Ammonia Sensing with Naked-Eye Color Switching.","ACS applied materials & interfaces","2018","10","32","27465","27471","10.1021/acsami.8b07770","","","1.54184","CuKα","","0.0556","0.0522","","","0.1667","0.1703","","","","","","1.026","","","","has coordinates","225476","2020-10-21","18:00:00",""
"4515310","16.2883","0.001","16.2883","0.001","7.4885","0.0007","90","","90","","120","","1720.6","0.2","150","2","150","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C21 H12 Co N13 -","- C21 H12 Co N13 -","- C42 H24 Co2 N26 -","2","0.0833333","","Zhang, Jindan; Ouyang, Jun; Ye, Yingxiang; Li, Ziyin; Lin, Quanjie; Chen, Ting; Zhang, Zhangjing; Xiang, Shengchang","Mixed-Valence Cobalt(II/III) Metal-Organic Framework for Ammonia Sensing with Naked-Eye Color Switching.","ACS applied materials & interfaces","2018","10","32","27465","27471","10.1021/acsami.8b07770","","","1.54184","CuKα","","0.073","0.0616","","","0.1691","0.1805","","","","","","1.091","","","","has coordinates,has disorder","225476","2020-10-21","18:00:00",""
"4515311","16.3316","0.0007","16.3316","0.0007","7.5701","0.0003","90","","90","","120","","1748.6","0.13","150","2","150","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C21 H21 Co N16 -","- C21 H21 Co N16 -","- C42 H42 Co2 N32 -","2","0.0833333","","Zhang, Jindan; Ouyang, Jun; Ye, Yingxiang; Li, Ziyin; Lin, Quanjie; Chen, Ting; Zhang, Zhangjing; Xiang, Shengchang","Mixed-Valence Cobalt(II/III) Metal-Organic Framework for Ammonia Sensing with Naked-Eye Color Switching.","ACS applied materials & interfaces","2018","10","32","27465","27471","10.1021/acsami.8b07770","","","1.54184","CuKα","","0.0847","0.0679","","","0.2077","0.2202","","","","","","0.987","","","","has coordinates","225476","2020-10-21","18:00:00",""
"4515312","16.302","0.004","16.302","0.004","7.5069","0.0014","90","","90","","120","","1727.7","0.7","150","2","150","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C21 H18 Co N13 O3 -","- C21 H18 Co N13 O3 -","- C42 H36 Co2 N26 O6 -","2","0.0833333","","Zhang, Jindan; Ouyang, Jun; Ye, Yingxiang; Li, Ziyin; Lin, Quanjie; Chen, Ting; Zhang, Zhangjing; Xiang, Shengchang","Mixed-Valence Cobalt(II/III) Metal-Organic Framework for Ammonia Sensing with Naked-Eye Color Switching.","ACS applied materials & interfaces","2018","10","32","27465","27471","10.1021/acsami.8b07770","","","1.54184","CuKα","","0.1078","0.0816","","","0.2346","0.263","","","","","","0.986","","","","has coordinates","225476","2020-10-21","18:00:00",""
"4515313","15.9688","0.0008","15.9688","0.0008","6.9541","0.0007","90","","90","","120","","1535.73","0.19","296","2","296","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C21 H12 Co N13 -","- C21 H12 Co N13 -","- C42 H24 Co2 N26 -","2","0.0833333","","Zhang, Jindan; Ouyang, Jun; Ye, Yingxiang; Li, Ziyin; Lin, Quanjie; Chen, Ting; Zhang, Zhangjing; Xiang, Shengchang","Mixed-Valence Cobalt(II/III) Metal-Organic Framework for Ammonia Sensing with Naked-Eye Color Switching.","ACS applied materials & interfaces","2018","10","32","27465","27471","10.1021/acsami.8b07770","","","1.54184","CuKα","","0.0713","0.0651","","","0.1886","0.195","","","","","","1.114","","","","has coordinates","225476","2020-10-21","18:00:00",""
"4515314","32.763","0.0003","32.763","0.0003","32.763","0.0003","90","","90","","90","","35168.3","0.6","173","0.1","173","0.1","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","","","- C90 H51 O35 Zr6 -","- C90 H51 O35 Zr6 -","- C720 H408 O280 Zr48 -","8","0.333333","","Zhang, Yong-Zheng; He, Tao; Kong, Xiang-Jing; Lv, Xiu-Liang; Wu, Xue-Qian; Li, Jian-Rong","Tuning Water Sorption in Highly Stable Zr(IV)-Metal-Organic Frameworks through Local Functionalization of Metal Clusters.","ACS applied materials & interfaces","2018","10","33","27868","27874","10.1021/acsami.8b09333","","x-ray","1.54184","CuKα","","0.0975","0.0639","","","0.1536","0.183","","","","","","0.884","","","","has coordinates","225477","2020-10-21","18:00:00",""
"4515315","32.8463","0.0004","32.8463","0.0004","32.8463","0.0004","90","","90","","90","","35437.2","0.7","100.01","0.1","100.01","0.1","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","","","- C93 H54 O41 Zr6 -","- C93 H54 O41 Zr6 -","- C744 H432 O328 Zr48 -","8","0.333333","","Zhang, Yong-Zheng; He, Tao; Kong, Xiang-Jing; Lv, Xiu-Liang; Wu, Xue-Qian; Li, Jian-Rong","Tuning Water Sorption in Highly Stable Zr(IV)-Metal-Organic Frameworks through Local Functionalization of Metal Clusters.","ACS applied materials & interfaces","2018","10","33","27868","27874","10.1021/acsami.8b09333","","x-ray","1.54184","CuKα","","0.0655","0.0508","","","0.1189","0.1262","","","","","","0.997","","","","has coordinates","225478","2020-10-21","18:00:00",""
"4515316","32.8831","0.0002","32.8831","0.0002","32.8831","0.0002","90","","90","","90","","35556.4","0.4","173","10","173","10","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","","","- C102 H54 O35 Zr6 -","- C102 H54 O35 Zr6 -","- C816 H432 O280 Zr48 -","8","0.333333","","Zhang, Yong-Zheng; He, Tao; Kong, Xiang-Jing; Lv, Xiu-Liang; Wu, Xue-Qian; Li, Jian-Rong","Tuning Water Sorption in Highly Stable Zr(IV)-Metal-Organic Frameworks through Local Functionalization of Metal Clusters.","ACS applied materials & interfaces","2018","10","33","27868","27874","10.1021/acsami.8b09333","","","1.54178","CuKα","","0.0561","0.0439","","","0.1105","0.118","","","","","","0.992","","","","has coordinates,has disorder","225479","2020-10-21","18:00:00",""
"4515317","32.9225","0.0009","32.9225","0.0009","32.9225","0.0009","90","","90","","90","","35684.4","1.7","173","0.1","173","0.1","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","","","- C96 H60 O35 Zr6 -","- C96 H60 O35 Zr6 -","- C768 H480 O280 Zr48 -","8","0.333333","","Zhang, Yong-Zheng; He, Tao; Kong, Xiang-Jing; Lv, Xiu-Liang; Wu, Xue-Qian; Li, Jian-Rong","Tuning Water Sorption in Highly Stable Zr(IV)-Metal-Organic Frameworks through Local Functionalization of Metal Clusters.","ACS applied materials & interfaces","2018","10","33","27868","27874","10.1021/acsami.8b09333","","x-ray","1.54184","CuKα","","0.1419","0.0855","","","0.1891","0.2257","","","","","","0.893","","","","has coordinates","225480","2020-10-21","18:00:00",""
"4515318","32.67104","0.00013","32.67104","0.00013","32.67104","0.00013","90","","90","","90","","34873","0.2","100","0.1","100","0.1","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","","","- C93 H54 O35 Zr6 -","- C93 H54 O35 Zr6 -","- C744 H432 O280 Zr48 -","8","0.333333","","Zhang, Yong-Zheng; He, Tao; Kong, Xiang-Jing; Lv, Xiu-Liang; Wu, Xue-Qian; Li, Jian-Rong","Tuning Water Sorption in Highly Stable Zr(IV)-Metal-Organic Frameworks through Local Functionalization of Metal Clusters.","ACS applied materials & interfaces","2018","10","33","27868","27874","10.1021/acsami.8b09333","","x-ray","1.54184","CuKα","","0.0376","0.0342","","","0.1006","0.103","","","","","","1.091","","","","has coordinates","225481","2020-10-21","18:00:00",""
"4515319","9.483","0.004","10.421","0.005","12.108","0.005","103.732","0.005","91.115","0.005","93.432","0.005","1159.6","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H0 N7 O7 Zn -","- C22 H16 N7 O6 Zn -","- C44 H32 N14 O12 Zn2 -","2","1","","Wang, Ani; Fan, Ruiqing; Pi, Xinxin; Zhou, Yuze; Chen, Guangyu; Chen, Wei; Yang, Yulin","Nitrogen-Doped Microporous Carbons Derived from Pyridine Ligand-Based Metal-Organic Complexes as High-Performance SO<sub>2</sub> Adsorption Sorbents.","ACS applied materials & interfaces","2018","10","43","37407","37416","10.1021/acsami.8b12739","","","0.71073","MoKα","","0.1648","0.0811","","","0.1603","0.1999","","","","","","1","","","","has coordinates,has disorder","225482","2020-10-21","18:00:00",""
"4515320","9.0117","0.0018","9.5162","0.0019","12.398","0.003","82.29","0.03","80.04","0.03","63.7","0.03","936.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H12 N6 O6 Zn -","- C19 H12 N6 O6 Zn -","- C38 H24 N12 O12 Zn2 -","2","1","","Wang, Ani; Fan, Ruiqing; Pi, Xinxin; Zhou, Yuze; Chen, Guangyu; Chen, Wei; Yang, Yulin","Nitrogen-Doped Microporous Carbons Derived from Pyridine Ligand-Based Metal-Organic Complexes as High-Performance SO<sub>2</sub> Adsorption Sorbents.","ACS applied materials & interfaces","2018","10","43","37407","37416","10.1021/acsami.8b12739","","","0.71073","MoKα","","0.0545","0.0452","","","0.1274","0.1352","","","","","","1.025","","","","has coordinates","225483","2020-10-21","18:00:00",""
"4515321","15.515","0.003","16.214","0.003","23.466","0.005","90.73","0.03","97.26","0.03","100.57","0.03","5753","2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H57 Cu2 N8 O53 P W12 -","- C68 H57 Cu2 N8 O53 P W12 -","- C136 H114 Cu4 N16 O106 P2 W24 -","2","1","","Sun, Xiaojuan; Zhang, Jie; Fu, Zhiyong","Polyoxometalate Cluster Sensitized with Copper-Viologen Framework for Efficient Degradation of Organic Dye in Ultraviolet, Visible, and Near-Infrared Light.","ACS applied materials & interfaces","2018","10","42","35671","35675","10.1021/acsami.8b10777","","","0.71073","MoKα","","0.0685","0.0552","","","0.1539","0.163","","","","","","1.056","","","","has coordinates,has disorder","225484","2020-10-21","18:00:00",""
"4515322","13.9659","0.0005","19.2044","0.0007","19.2173","0.0008","90","","90","","90","","5154.2","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H25 Cd N5 O5 -","- C25 H25 Cd N5 O5 -","- C200 H200 Cd8 N40 O40 -","8","1","","Rouhani, Farzaneh; Morsali, Ali; Retailleau, Pascal","Simple One-Pot Preparation of a Rapid Response AIE Fluorescent Metal-Organic Framework.","ACS applied materials & interfaces","2018","10","42","36259","36266","10.1021/acsami.8b12404","","x-ray","0.71073","MoKα","","0.0598","0.0396","","","0.0922","0.1054","","","","","","1.075","","","","has coordinates","225485","2020-10-21","18:00:00",""
"4515323","9.9663","0.0005","16.9221","0.001","15.1938","0.0008","90","","92.308","0.004","90","","2560.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Co N5 O5 -","- C25 H25 Co N5 O5 -","- C100 H100 Co4 N20 O20 -","4","1","","Rouhani, Farzaneh; Morsali, Ali; Retailleau, Pascal","Simple One-Pot Preparation of a Rapid Response AIE Fluorescent Metal-Organic Framework.","ACS applied materials & interfaces","2018","10","42","36259","36266","10.1021/acsami.8b12404","","x-ray","0.71073","MoKα","","0.0817","0.0515","","","0.143","0.1598","","","","","","1.048","","","","has coordinates","225486","2020-10-21","18:00:00",""
"4515324","9.9194","0.0007","16.8045","0.0011","14.9034","0.001","90","","90.627","0.002","90","","2484.1","0.3","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N5 O5 Zn -","- C25 H25 N5 O5 Zn -","- C100 H100 N20 O20 Zn4 -","4","1","","Rouhani, Farzaneh; Morsali, Ali; Retailleau, Pascal","Simple One-Pot Preparation of a Rapid Response AIE Fluorescent Metal-Organic Framework.","ACS applied materials & interfaces","2018","10","42","36259","36266","10.1021/acsami.8b12404","","","0.71073","MoKα","","0.0859","0.0554","","","0.1057","0.1151","","","","","","1.071","","","","has coordinates","225487","2020-10-21","18:00:00",""
"4515325","6.8859","0.00011","20.0624","0.0004","16.6453","0.0004","90","","90","","90","","2299.51","0.08","100","","100","","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C25 H20 Ca N O6 -","- C22 H11 Ca O5 -","- C88 H44 Ca4 O20 -","4","0.5","","Gładysiak, Andrzej; Deeg, Kathryn S.; Dovgaliuk, Iurii; Chidambaram, Arunraj; Ordiz, Kaili; Boyd, Peter G.; Moosavi, Seyed Mohamad; Ongari, Daniele; Navarro, Jorge A. R.; Smit, Berend; Stylianou, Kyriakos C.","Biporous Metal-Organic Framework with Tunable CO<sub>2</sub>/CH<sub>4</sub> Separation Performance Facilitated by Intrinsic Flexibility.","ACS applied materials & interfaces","2018","10","42","36144","36156","10.1021/acsami.8b13362","","x-ray","0.7153","","","0.1053","0.1024","","","0.3739","0.3805","","","","","","1.916","","","","has coordinates,has disorder","225488","2020-10-21","18:00:00",""
"4515326","31.7493","0.0007","31.7493","0.0007","31.7493","0.0007","90","","90","","90","","32003.9","1.2","100","2","100","2","","","","","","","","6","F 4 3 2","F 4 2 3","209","","","","- C22 H16 N2 Ni O7.33 Zr -","- C22 H16 N2 Ni O7.33333 Zr -","- C264 H192 N24 Ni12 O88 Zr12 -","12","0.125","","Li, Jiawei; Ren, Yanwei; Yue, Chenglong; Fan, Yamei; Qi, Chaorong; Jiang, Huanfeng","Highly Stable Chiral Zirconium-Metallosalen Frameworks for CO<sub>2</sub> Conversion and Asymmetric C-H Azidation.","ACS applied materials & interfaces","2018","10","42","36047","36057","10.1021/acsami.8b14118","","","1.54178","CuKα","","0.1799","0.1486","","","0.3643","0.4138","","","","","","1.104","","","","has coordinates","225489","2020-10-21","18:00:00",""
"4515327","10.2355","0.0011","10.7317","0.0006","16.566","0.002","72.138","0.011","85.734","0.013","63.542","0.009","1546.4","0.3","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C39.5 H28 N6 O2 -","- C39.5 H28 N6 O2 -","- C79 H56 N12 O4 -","2","1","","Wong, Michael Y.; Krotkus, Simonas; Copley, Graeme; Li, Wenbo; Murawski, Caroline; Hall, David; Hedley, Gordon J.; Jaricot, Marie; Cordes, David B.; Slawin, Alexandra M. Z.; Olivier, Yoann; Beljonne, David; Muccioli, Luca; Moral, Monica; Sancho-Garcia, Juan-Carlos; Gather, Malte C.; Samuel, Ifor D. W.; Zysman-Colman, Eli","Deep-Blue Oxadiazole-Containing Thermally Activated Delayed Fluorescence Emitters for Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2018","10","39","33360","33372","10.1021/acsami.8b11136","","","0.71075","MoKα","","0.1246","0.0657","","","0.1495","0.1737","","","","","","0.938","","","","has coordinates,has disorder","225490","2020-10-21","18:00:00",""
"4515328","9.9371","0.0009","10.2665","0.0016","16.5131","0.0017","85.4896","0.001","89.831","0.005","87.493","0.007","1677.8","0.3","125","","125","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H28 N6 O2 -","- C46 H28 N6 O2 -","- C92 H56 N12 O4 -","2","1","","Wong, Michael Y.; Krotkus, Simonas; Copley, Graeme; Li, Wenbo; Murawski, Caroline; Hall, David; Hedley, Gordon J.; Jaricot, Marie; Cordes, David B.; Slawin, Alexandra M. Z.; Olivier, Yoann; Beljonne, David; Muccioli, Luca; Moral, Monica; Sancho-Garcia, Juan-Carlos; Gather, Malte C.; Samuel, Ifor D. W.; Zysman-Colman, Eli","Deep-Blue Oxadiazole-Containing Thermally Activated Delayed Fluorescence Emitters for Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2018","10","39","33360","33372","10.1021/acsami.8b11136","","","1.54187","CuKα","","0.0344","0.0321","","","0.0879","0.0952","","","","","","1.118","","","","has coordinates","225490","2020-10-21","18:00:00",""
"4515329","11.6951","0.0015","28.18","0.004","12.5595","0.0015","90","","92.78","0.003","90","","4134.3","0.9","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H29 F6 N7 O2 -","- C50 H29 F6 N7 O2 -","- C200 H116 F24 N28 O8 -","4","1","","Wong, Michael Y.; Krotkus, Simonas; Copley, Graeme; Li, Wenbo; Murawski, Caroline; Hall, David; Hedley, Gordon J.; Jaricot, Marie; Cordes, David B.; Slawin, Alexandra M. Z.; Olivier, Yoann; Beljonne, David; Muccioli, Luca; Moral, Monica; Sancho-Garcia, Juan-Carlos; Gather, Malte C.; Samuel, Ifor D. W.; Zysman-Colman, Eli","Deep-Blue Oxadiazole-Containing Thermally Activated Delayed Fluorescence Emitters for Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2018","10","39","33360","33372","10.1021/acsami.8b11136","","","1.54187","CuKα","","0.1001","0.0992","","","0.2638","0.2669","","","","","","1.314","","","","has coordinates","225490","2020-10-21","18:00:00",""
"4515330","11.8448","0.0012","29.173","0.003","11.9495","0.0011","90","","90.236","0.003","90","","4129.1","0.7","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H34 Cl2 N6 O4 -","- C49 H34 Cl2 N6 O4 -","- C196 H136 Cl8 N24 O16 -","4","1","","Wong, Michael Y.; Krotkus, Simonas; Copley, Graeme; Li, Wenbo; Murawski, Caroline; Hall, David; Hedley, Gordon J.; Jaricot, Marie; Cordes, David B.; Slawin, Alexandra M. Z.; Olivier, Yoann; Beljonne, David; Muccioli, Luca; Moral, Monica; Sancho-Garcia, Juan-Carlos; Gather, Malte C.; Samuel, Ifor D. W.; Zysman-Colman, Eli","Deep-Blue Oxadiazole-Containing Thermally Activated Delayed Fluorescence Emitters for Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2018","10","39","33360","33372","10.1021/acsami.8b11136","","","0.71075","MoKα","","0.0731","0.0499","","","0.1187","0.135","","","","","","1.042","","","","has coordinates","225490","2020-10-21","18:00:00",""
"4515331","12.1174","0.0014","13.7328","0.0017","15.3198","0.0018","93.826","0.002","96.58","0.003","105.291","0.003","2430.3","0.5","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H18 N4 -","- C32 H18 N4 -","- C128 H72 N16 -","4","2","","Wong, Michael Y.; Krotkus, Simonas; Copley, Graeme; Li, Wenbo; Murawski, Caroline; Hall, David; Hedley, Gordon J.; Jaricot, Marie; Cordes, David B.; Slawin, Alexandra M. Z.; Olivier, Yoann; Beljonne, David; Muccioli, Luca; Moral, Monica; Sancho-Garcia, Juan-Carlos; Gather, Malte C.; Samuel, Ifor D. W.; Zysman-Colman, Eli","Deep-Blue Oxadiazole-Containing Thermally Activated Delayed Fluorescence Emitters for Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2018","10","39","33360","33372","10.1021/acsami.8b11136","","","0.71075","MoKα","","0.073","0.0422","","","0.0961","0.1049","","","","","","0.856","","","","has coordinates","225490","2020-10-21","18:00:00",""
"4515332","12.6102","0.0011","6.9212","0.0006","25.7217","0.0018","90","","92.22","0.007","90","","2243.2","0.3","106.1","","106.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H17.49 F4 N O5.25 -","- C25 H17.492 F4 N O5.246 -","- C100 H69.968 F16 N4 O20.984 -","4","1","","Li, Shuzhen; Yan, Dongpeng","Tuning Light-Driven Motion and Bending in Macroscale-Flexible Molecular Crystals Based on a Cocrystal Approach.","ACS applied materials & interfaces","2018","10","26","22703","22710","10.1021/acsami.8b05804","","","0.7107","MoKα","","0.1033","0.0616","","","0.1203","0.1414","","","","","","1.022","","","","has coordinates,has disorder","225491","2020-10-21","18:00:00",""
"4515333","6.8678","0.0018","10.957","0.003","13.449","0.003","68.954","0.003","89.176","0.004","84.453","0.004","939.9","0.4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 F2 N O3 -","- C22 H18 F2 N O3 -","- C44 H36 F4 N2 O6 -","2","1","","Li, Shuzhen; Yan, Dongpeng","Tuning Light-Driven Motion and Bending in Macroscale-Flexible Molecular Crystals Based on a Cocrystal Approach.","ACS applied materials & interfaces","2018","10","26","22703","22710","10.1021/acsami.8b05804","","","0.71073","MoKα","","0.088","0.0766","","","0.1923","0.2164","","","","","","1.0619","","","","has coordinates","225492","2020-10-21","18:00:00",""
"4515334","5.664","0.003","26.555","0.013","8.771","0.004","90","","108.634","0.008","90","","1250.1","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N O6 Zn -","- C13 H9 N O6 Zn -","- C52 H36 N4 O24 Zn4 -","4","1","","Xing, Kai; Fan, Ruiqing; Wang, Fengyou; Nie, Huan; Du, Xi; Gai, Shuang; Wang, Ping; Yang, Yulin","Dual-Stimulus-Triggered Programmable Drug Release and Luminescent Ratiometric pH Sensing from Chemically Stable Biocompatible Zinc Metal-Organic Framework.","ACS applied materials & interfaces","2018","10","26","22746","22756","10.1021/acsami.8b06270","","","0.71073","MoKα","","0.0585","0.0362","","","0.0951","0.1147","","","","","","1.106","","","","has coordinates","225493","2020-10-21","18:00:00",""
"4515335","7.7284","0.001","20.283","0.003","7.9561","0.001","90","","91.9","","90","","1246.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 N O5 Zn -","- C13 H7 N O5 Zn -","- C52 H28 N4 O20 Zn4 -","4","1","","Xing, Kai; Fan, Ruiqing; Wang, Fengyou; Nie, Huan; Du, Xi; Gai, Shuang; Wang, Ping; Yang, Yulin","Dual-Stimulus-Triggered Programmable Drug Release and Luminescent Ratiometric pH Sensing from Chemically Stable Biocompatible Zinc Metal-Organic Framework.","ACS applied materials & interfaces","2018","10","26","22746","22756","10.1021/acsami.8b06270","","","0.71073","MoKα","","0.0766","0.0477","","","0.1301","0.1506","","","","","","1.012","","","","has coordinates","225493","2020-10-21","18:00:00",""
"4515336","24.3106","0.0004","9.911","0.0002","24.9818","0.0005","90","","116.156","0.001","90","","5402.79","0.18","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H25 F4 N5 Pt -","- C32 H25 F4 N5 Pt -","- C256 H200 F32 N40 Pt8 -","8","1","","Wilde, Sebastian; Ma, Dongxin; Koch, Tobias; Bakker, Anne; Gonzalez-Abradelo, Dario; Stegemann, Linda; Daniliuc, Constantin G.; Fuchs, Harald; Gao, Hongying; Doltsinis, Nikos L.; Duan, Lian; Strassert, Cristian A.","Toward Tunable Electroluminescent Devices by Correlating Function and Submolecular Structure in 3D Crystals, 2D-Confined Monolayers, and Dimers.","ACS applied materials & interfaces","2018","10","26","22460","22473","10.1021/acsami.8b03528","","","0.71073","MoKα","","0.045","0.0325","","","0.0831","0.0932","","","","","","1.055","","","","has coordinates,has disorder","225494","2020-10-21","18:00:00",""
"4515337","10.9326","0.0002","11.3868","0.0002","12.5978","0.0002","67.259","0.001","87.877","0.001","72.964","0.001","1377.71","0.04","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H27 F4 N3 Pt -","- C34 H27 F4 N3 Pt -","- C68 H54 F8 N6 Pt2 -","2","1","","Wilde, Sebastian; Ma, Dongxin; Koch, Tobias; Bakker, Anne; Gonzalez-Abradelo, Dario; Stegemann, Linda; Daniliuc, Constantin G.; Fuchs, Harald; Gao, Hongying; Doltsinis, Nikos L.; Duan, Lian; Strassert, Cristian A.","Toward Tunable Electroluminescent Devices by Correlating Function and Submolecular Structure in 3D Crystals, 2D-Confined Monolayers, and Dimers.","ACS applied materials & interfaces","2018","10","26","22460","22473","10.1021/acsami.8b03528","","","0.71073","MoKα","","0.0242","0.0238","","","0.0614","0.0619","","","","","","1.06","","","","has coordinates","225495","2020-10-21","18:00:00",""
"4515338","13.186","0.005","16.978","0.007","18.115","0.007","90","","98.701","0.013","90","","4009","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 Cl4 N6 O11 Ru -","- C36 H22 Cl4 N6 O8 Ru -","- C144 H88 Cl16 N24 O32 Ru4 -","4","1","","Sheet, Sanjoy Kumar; Sen, Bhaskar; Patra, Sumit Kumar; Rabha, Monosh; Aguan, Kripamoy; Khatua, Snehadrinarayan","Aggregation-Induced Emission-Active Ruthenium(II) Complex of 4,7-Dichloro Phenanthroline for Selective Luminescent Detection and Ribosomal RNA Imaging.","ACS applied materials & interfaces","2018","10","17","14356","14366","10.1021/acsami.7b19290","","","0.71073","MoKα","","0.1344","0.0758","","","0.202","0.2369","","","","","","1.038","","","","has coordinates","225496","2020-10-21","18:00:00",""
"4515339","10.3355","0.0006","13.5878","0.0008","17.3077","0.001","94.893","0.005","72.856","0.005","105.008","0.005","2243.3","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H29 Cl5 F12 N6 O P2 Ru -","- C40 H29 Cl5 F12 N6 O P2 Ru -","- C80 H58 Cl10 F24 N12 O2 P4 Ru2 -","2","1","","Sheet, Sanjoy Kumar; Sen, Bhaskar; Patra, Sumit Kumar; Rabha, Monosh; Aguan, Kripamoy; Khatua, Snehadrinarayan","Aggregation-Induced Emission-Active Ruthenium(II) Complex of 4,7-Dichloro Phenanthroline for Selective Luminescent Detection and Ribosomal RNA Imaging.","ACS applied materials & interfaces","2018","10","17","14356","14366","10.1021/acsami.7b19290","","","0.71073","MoKα","","0.094","0.073","","","0.1986","0.2222","","","","","","1.074","","","","has coordinates","225497","2020-10-21","18:00:00",""
"4515340","10.9782","0.0005","12.0018","0.0005","15.2183","0.0007","90.293","0.004","100.209","0.004","100.61","0.004","1938.17","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H27 Cl4 N7 O9 Ru -","- C38 H25 Cl4 N7 O9 Ru -","- C76 H50 Cl8 N14 O18 Ru2 -","2","1","","Sheet, Sanjoy Kumar; Sen, Bhaskar; Patra, Sumit Kumar; Rabha, Monosh; Aguan, Kripamoy; Khatua, Snehadrinarayan","Aggregation-Induced Emission-Active Ruthenium(II) Complex of 4,7-Dichloro Phenanthroline for Selective Luminescent Detection and Ribosomal RNA Imaging.","ACS applied materials & interfaces","2018","10","17","14356","14366","10.1021/acsami.7b19290","","","0.71073","MoKα","","0.0912","0.0728","","","0.2082","0.2259","","","","","","1.061","","","","has coordinates","225498","2020-10-21","18:00:00",""
"4515341","38.926","0.003","38.926","0.003","16.8351","0.0016","90","","90","","120","","22092","3","100","2","100","2","","","","","","","","3","P 6/m m m","-P 6 2","191","","NU1000-NDC","","- C100 O38 Zr6 -","- C100 O38 Zr6 -","- C300 O114 Zr18 -","3","0.125","","Peters, Aaron W.; Otake, Kenichi; Platero-Prats, Ana E; Li, Zhanyong; DeStefano, Matthew R.; Chapman, Karena W.; Farha, Omar K.; Hupp, Joseph T.","Site-Directed Synthesis of Cobalt Oxide Clusters in a Metal-Organic Framework.","ACS applied materials & interfaces","2018","10","17","15073","15078","10.1021/acsami.8b02825","","","1.54178","CuKα","","0.1436","0.1246","","","0.3267","0.3424","","","","","","1.253","","","","has coordinates,has disorder","225499","2020-10-21","18:00:00",""
"4515342","16.3738","0.0006","16.3738","0.0006","56.467","0.003","90","","90","","120","","13110.7","1","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C33 H39 N6 O12 Tb -","- C33 H39 N6 O12 Tb -","- C396 H468 N72 O144 Tb12 -","12","0.333333","","She, Wei; Qi, Tianqinji; Cui, Mengxing; Yan, Pengfei; Ng, Seik Weng; Li, Weizuo; Li, Guangming","High Catalytic Performance of a CeO<sub>2</sub>-Supported Ni Catalyst for Hydrogenation of Nitroarenes, Fabricated via Coordination-Assisted Strategy.","ACS applied materials & interfaces","2018","10","17","14698","14707","10.1021/acsami.8b01187","","","0.71073","MoKα","","0.0734","0.0492","","","0.126","0.1436","","","","","","1.058","","","","has coordinates","225500","2020-10-21","18:00:00",""
"4515343","9.8827","0.0012","17.0042","0.0016","16.199","0.003","90","","116.91","0.011","90","","2427.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 B N2 -","- C31 H29 B N2 -","- C124 H116 B4 N8 -","4","1","","Gao, Hongcheng; Gao, Yu; Wang, Cong; Hu, Dehua; Xie, Zengqi; Liu, Linlin; Yang, Bing; Ma, Yuguang","Anomalous Effect of Intramolecular Charge Transfer on the Light Emitting Properties of BODIPY.","ACS applied materials & interfaces","2018","10","17","14956","14965","10.1021/acsami.7b13444","","","1.54184","CuKα","","0.0913","0.0529","","","0.1223","0.1534","","","","","","1.045","","","","has coordinates","225501","2020-10-21","18:00:00",""
"4515344","13.0339","0.0004","13.4005","0.0005","13.5218","0.0004","94.479","0.003","116.844","0.003","91.441","0.003","2095.94","0.13","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C55 H45 B F2 N4 -","- C55 H45 B F2 N4 -","- C110 H90 B2 F4 N8 -","2","1","","Gao, Hongcheng; Gao, Yu; Wang, Cong; Hu, Dehua; Xie, Zengqi; Liu, Linlin; Yang, Bing; Ma, Yuguang","Anomalous Effect of Intramolecular Charge Transfer on the Light Emitting Properties of BODIPY.","ACS applied materials & interfaces","2018","10","17","14956","14965","10.1021/acsami.7b13444","","x-ray","1.54184","CuKα","","0.0401","0.0349","","","0.0884","0.0911","","","","","","1.049","","","","has coordinates","225502","2020-10-21","18:00:00",""
"4515345","18.7316","0.0012","13.9317","0.0009","24.149","0.002","90","","125.672","0.005","90","","5119.5","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C67 H55 B N4 -","- C67 H55 B N4 -","- C268 H220 B4 N16 -","4","1","","Gao, Hongcheng; Gao, Yu; Wang, Cong; Hu, Dehua; Xie, Zengqi; Liu, Linlin; Yang, Bing; Ma, Yuguang","Anomalous Effect of Intramolecular Charge Transfer on the Light Emitting Properties of BODIPY.","ACS applied materials & interfaces","2018","10","17","14956","14965","10.1021/acsami.7b13444","","","1.54184","CuKα","","0.1618","0.083","","","0.2198","0.2889","","","","","","1.028","","","","has coordinates","225503","2020-10-21","18:00:00",""
"4515346","10.494","0.018","10.31","0.018","22.35","0.04","90","","92.853","0.018","90","","2415","7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 Co N2 O7 -","- C21 H19 Co N2 O7 -","- C84 H76 Co4 N8 O28 -","4","1","","Zhao, Xi; Xu, Haitao; Wang, XiaoXiao; Zheng, Zhizhong; Xu, Zhenliang; Ge, Jianping","Monodisperse Metal-Organic Framework Nanospheres with Encapsulated Core-Shell Nanoparticles Pt/Au@Pd@{Co<sub>2</sub>(oba)<sub>4</sub>(3-bpdh)<sub>2</sub>}4H<sub>2</sub>O for the Highly Selective Conversion of CO<sub>2</sub> to CO.","ACS applied materials & interfaces","2018","10","17","15096","15103","10.1021/acsami.8b03561","","","0.71073","MoKα","","0.0629","0.0551","","","0.1767","0.186","","","","","","1.143","","","","has coordinates","225504","2020-10-21","18:00:00",""
"4515347","16.8016","0.0018","16.8016","0.0018","25.828","0.005","90","","90","","120","","6314.3","1.6","113","","113","","","","","","","","","5","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C31 H20 N2 O4 Zn -","- C31 H20 N2 O4 Zn -","- C186 H120 N12 O24 Zn6 -","6","0.5","","Zhao, Xiaoyu; Song, Xiaoyu; Li, Yang; Chang, Ze; Chen, Long","Targeted Construction of Light-Harvesting Metal-Organic Frameworks Featuring Efficient Host-Guest Energy Transfer.","ACS applied materials & interfaces","2018","10","6","5633","5640","10.1021/acsami.7b17755","","","0.71073","MoKα","","0.1181","0.0824","","","0.2253","0.2472","","","","","","1.033","","","","has coordinates","225505","2020-10-21","18:00:00",""
"4515348","13.3568","0.0006","14.3874","0.0006","21.6632","0.001","96.218","0.003","100.058","0.003","107.835","0.003","3843.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H40.8 F18 Fe3 N2 O16.4 -","- C57 H25 F18 Fe3 N2 O16 -","- C114 H50 F36 Fe6 N4 O32 -","2","1","","Lv, Daofei; Wang, Hao; Chen, Yongwei; Xu, Feng; Shi, Renfeng; Liu, Zewei; Wang, Xinlong; Teat, Simon J.; Xia, Qibin; Li, Zhong; Li, Jing","Iron-Based Metal-Organic Framework with Hydrophobic Quadrilateral Channels for Highly Selective Separation of Hexane Isomers.","ACS applied materials & interfaces","2018","10","6","6031","6038","10.1021/acsami.7b18620","","","0.7749","synchrotron","","0.0935","0.0656","","","0.1578","0.1725","","","","","","1.035","","","","has coordinates,has disorder","225506","2020-10-21","18:00:00",""
"4515349","23.3072","0.0003","23.3072","0.0003","21.8206","0.0009","90","","90","","120","","10265.4","0.5","173.01","0.1","173.01","0.1","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C42 H21 N3 O16 Zr3 -","- C42 H21 N3 O16 Zr3 -","- C168 H84 N12 O64 Zr12 -","4","0.333333","","He, Tao; Zhang, Yong-Zheng; Kong, Xiang-Jing; Yu, Jiamei; Lv, Xiu-Liang; Wu, Yufeng; Guo, Zhen-Ji; Li, Jian-Rong","Zr(IV)-Based Metal-Organic Framework with T-Shaped Ligand: Unique Structure, High Stability, Selective Detection, and Rapid Adsorption of Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> in Water.","ACS applied materials & interfaces","2018","10","19","16650","16659","10.1021/acsami.8b03987","","x-ray","1.54184","CuKα","","0.0818","0.0703","","","0.1909","0.2088","","","","","","0.829","","","","has coordinates","225507","2020-10-21","18:00:00",""
"4515350","13.075","0.0009","13.075","","8.3362","0.0008","90","","90","","90","","1425.12","0.17","200","","200","","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","","","","- C22.62 H16 Cu F6 N8 O5.25 Si -","- C22.624 H16 Cu F6 N8 O5.248 Si -","- C45.248 H32 Cu2 F12 N16 O10.496 Si2 -","2","0.125","","Jiang, Mengdie; Li, Bin; Cui, Xili; Yang, Qiwei; Bao, Zongbi; Yang, Yiwen; Wu, Hui; Zhou, Wei; Chen, Banglin; Xing, Huabin","Controlling Pore Shape and Size of Interpenetrated Anion-Pillared Ultramicroporous Materials Enables Molecular Sieving of CO<sub>2</sub> Combined with Ultrahigh Uptake Capacity.","ACS applied materials & interfaces","2018","10","19","16628","16635","10.1021/acsami.8b03358","powder diffraction","neutron","2.0775","","","","","","","","","0.0953","","1.34","","","","","","","has coordinates","225508","2020-10-21","18:00:00",""
"4515351","19.2684","0.0008","19.2684","0.0008","19.2684","0.0008","90","","90","","90","","7153.8","0.5","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- Ge4 K6 O4 S13 Zn4 -","- Ge4 K6 O4 S13 Zn4 -","- Ge32 K48 O32 S104 Zn32 -","8","0.0416667","","Zhang, Yingying; Wang, Xiang; Hu, Dandan; Xue, Chaozhuang; Wang, Wei; Yang, Huajun; Li, Dongsheng; Wu, Tao","Monodisperse Ultrasmall Manganese-Doped Multimetallic Oxysulfide Nanoparticles as Highly Efficient Oxygen Reduction Electrocatalyst.","ACS applied materials & interfaces","2018","10","16","13413","13424","10.1021/acsami.7b19498","","","0.71073","MoKα","","0.0571","0.0437","","","0.1331","0.1479","","","","","","0.731","","","","has coordinates","269108","2021-09-13","08:22:43",""
"4515352","12.2656","0.0005","7.3671","0.0003","23.1538","0.0009","90","","103.053","0.004","90","","2038.16","0.15","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 I N O S -","- C21 H19 I N2 O S -","- C84 H76 I4 N8 O4 S4 -","4","1","","Chao, Xi-Juan; Wang, Kang-Nan; Sun, Li-Li; Cao, Qian; Ke, Zhuo-Feng; Cao, Du-Xia; Mao, Zong-Wan","Cationic Organochalcogen with Monomer/Excimer Emissions for Dual-Color Live Cell Imaging and Cell Damage Diagnosis.","ACS applied materials & interfaces","2018","10","16","13264","13273","10.1021/acsami.7b12521","","","1.54178","CuKα","","0.0674","0.0585","","","0.1538","0.1644","","","","","","1.013","","","","has coordinates","225510","2020-10-21","18:00:00",""
"4515353","5.5892","0.0003","17.067","0.0008","17.5688","0.0012","90","","99.61","0.007","90","","1652.39","0.17","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 I N2 S -","- C18 H15 I N2 S -","- C72 H60 I4 N8 S4 -","4","1","","Chao, Xi-Juan; Wang, Kang-Nan; Sun, Li-Li; Cao, Qian; Ke, Zhuo-Feng; Cao, Du-Xia; Mao, Zong-Wan","Cationic Organochalcogen with Monomer/Excimer Emissions for Dual-Color Live Cell Imaging and Cell Damage Diagnosis.","ACS applied materials & interfaces","2018","10","16","13264","13273","10.1021/acsami.7b12521","","","1.54178","CuKα","","0.0886","0.0817","","","0.205","0.2154","","","","","","1.4","","","","has coordinates","225511","2020-10-21","18:00:00",""
"4515354","18.7938","0.0011","18.7938","0.0011","15.7286","0.0013","90","","90","","120","","4811.2","0.6","293","2","293","2","","","","","","","","7","P 6/m","-P 6","175","","","","- C156 H108 Co9 N18 O92 P2 W18 -","- C156 H108 Co9 N18 O92 P2 W18 -","- C156 H108 Co9 N18 O92 P2 W18 -","1","0.0833333","","Sun, Wenlong; An, Bowen; Qi, Bo; Liu, Tao; Jin, Meng; Duan, Chunying","Dual-Excitation Polyoxometalate-Based Frameworks for One-Pot Light-Driven Hydrogen Evolution and Oxidative Dehydrogenation.","ACS applied materials & interfaces","2018","10","16","13462","13469","10.1021/acsami.8b00350","","","0.71073","MoKα","","0.079","0.0644","","","0.2487","0.2663","","","","","","1.078","","","","has coordinates","225512","2020-10-21","18:00:00",""
"4515355","18.834","0.005","18.834","0.005","15.722","0.005","90","","90","","120","","4830","2","293","2","293","2","","","","","","","","7","P 6/m","-P 6","175","","","","- C156 H108 N18 O92 P2 W18 Zn9 -","- C156 H108 N18 O92 P2 W18 Zn9 -","- C156 H108 N18 O92 P2 W18 Zn9 -","1","0.0833333","","Sun, Wenlong; An, Bowen; Qi, Bo; Liu, Tao; Jin, Meng; Duan, Chunying","Dual-Excitation Polyoxometalate-Based Frameworks for One-Pot Light-Driven Hydrogen Evolution and Oxidative Dehydrogenation.","ACS applied materials & interfaces","2018","10","16","13462","13469","10.1021/acsami.8b00350","","","0.71069","MoKα","","0.0803","0.0666","","","0.1866","0.2108","","","","","","0.976","","","","has coordinates","225513","2020-10-21","18:00:00",""
"4515356","9.7474","0.0007","14.0225","0.001","14.4404","0.001","82.882","0.002","78.862","0.002","78.824","0.002","1892.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H33 Eu2 N2 O14 -","- C43 H33 Eu2 N2 O14 -","- C86 H66 Eu4 N4 O28 -","2","1","","Li, Liang; Cheng, Jiahui; Liu, Zhipeng; Song, Lin; You, Yujian; Zhou, Xinhui; Huang, Wei","Ratiometric Luminescent Sensor of Picric Acid Based on the Dual-Emission Mixed-Lanthanide Coordination Polymer.","ACS applied materials & interfaces","2018","10","50","44109","44115","10.1021/acsami.8b13719","","","0.71073","MoKα","","0.0718","0.0502","","","0.1336","0.1464","","","","","","1.064","","","","has coordinates","225514","2020-10-21","18:00:00",""
"4515357","9.7703","0.0014","14.034","0.002","14.494","0.002","83.269","0.004","78.799","0.004","78.104","0.004","1901.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H33 Gd2 N2 O14 -","- C43 H33 Gd2 N2 O14 -","- C86 H66 Gd4 N4 O28 -","2","1","","Li, Liang; Cheng, Jiahui; Liu, Zhipeng; Song, Lin; You, Yujian; Zhou, Xinhui; Huang, Wei","Ratiometric Luminescent Sensor of Picric Acid Based on the Dual-Emission Mixed-Lanthanide Coordination Polymer.","ACS applied materials & interfaces","2018","10","50","44109","44115","10.1021/acsami.8b13719","","","0.71073","MoKα","","0.094","0.0479","","","0.1111","0.1302","","","","","","1.068","","","","has coordinates","225514","2020-10-21","18:00:00",""
"4515358","9.7384","0.0006","13.9335","0.001","14.4053","0.0009","82.566","0.002","78.618","0.003","78.665","0.002","1870.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H33 N2 O14 Tb2 -","- C43 H33 N2 O14 Tb2 -","- C86 H66 N4 O28 Tb4 -","2","1","","Li, Liang; Cheng, Jiahui; Liu, Zhipeng; Song, Lin; You, Yujian; Zhou, Xinhui; Huang, Wei","Ratiometric Luminescent Sensor of Picric Acid Based on the Dual-Emission Mixed-Lanthanide Coordination Polymer.","ACS applied materials & interfaces","2018","10","50","44109","44115","10.1021/acsami.8b13719","","","0.71073","MoKα","","0.0666","0.0426","","","0.0936","0.1002","","","","","","1.011","","","","has coordinates","225514","2020-10-21","18:00:00",""
"4515359","9.7582","0.0009","13.937","0.0013","14.4239","0.0013","82.563","0.002","78.563","0.002","78.544","0.002","1876.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H33 Dy2 N2 O14 -","- C43 H33 Dy2 N2 O14 -","- C86 H66 Dy4 N4 O28 -","2","1","","Li, Liang; Cheng, Jiahui; Liu, Zhipeng; Song, Lin; You, Yujian; Zhou, Xinhui; Huang, Wei","Ratiometric Luminescent Sensor of Picric Acid Based on the Dual-Emission Mixed-Lanthanide Coordination Polymer.","ACS applied materials & interfaces","2018","10","50","44109","44115","10.1021/acsami.8b13719","","","0.71073","MoKα","","0.0441","0.0321","","","0.0784","0.0824","","","","","","1.039","","","","has coordinates","225514","2020-10-21","18:00:00",""
"4515360","9.7405","0.0012","13.8929","0.0017","14.4129","0.0018","82.475","0.003","78.623","0.002","78.509","0.003","1865.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H33 Ho2 N2 O14 -","- C43 H33 Ho2 N2 O14 -","- C86 H66 Ho4 N4 O28 -","2","1","","Li, Liang; Cheng, Jiahui; Liu, Zhipeng; Song, Lin; You, Yujian; Zhou, Xinhui; Huang, Wei","Ratiometric Luminescent Sensor of Picric Acid Based on the Dual-Emission Mixed-Lanthanide Coordination Polymer.","ACS applied materials & interfaces","2018","10","50","44109","44115","10.1021/acsami.8b13719","","","0.71073","MoKα","","0.0403","0.0342","","","0.0846","0.0865","","","","","","1.025","","","","has coordinates","225514","2020-10-21","18:00:00",""
"4515361","9.7162","0.0015","13.819","0.002","14.386","0.002","82.528","0.004","78.545","0.003","78.474","0.003","1846.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H33 Er2 N2 O14 -","- C43 H33 Er2 N2 O14 -","- C86 H66 Er4 N4 O28 -","2","1","","Li, Liang; Cheng, Jiahui; Liu, Zhipeng; Song, Lin; You, Yujian; Zhou, Xinhui; Huang, Wei","Ratiometric Luminescent Sensor of Picric Acid Based on the Dual-Emission Mixed-Lanthanide Coordination Polymer.","ACS applied materials & interfaces","2018","10","50","44109","44115","10.1021/acsami.8b13719","","","0.71073","MoKα","","0.047","0.0373","","","0.1061","0.1108","","","","","","1.071","","","","has coordinates","225514","2020-10-21","18:00:00",""
"4515362","59.93","0.002","59.93","0.002","6.7458","0.0002","90","","90","","120","","20982.3","1.2","296","","296","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C34 H36 Cd N2 O15 -","- C34 H26 Cd N2 O10 -","- C612 H468 Cd18 N36 O180 -","18","1","","Yang, Xiao-Dong; Chen, Ming; Zhu, Rui; Zhang, Jie; Chen, Banglin","Robust Nanoporous Supramolecular Network Through Charge-Transfer Interaction.","ACS applied materials & interfaces","2018","10","50","43987","43992","10.1021/acsami.8b14316","","","0.71073","MoKα","","0.0641","0.0394","","","0.0752","0.0852","","","","","","0.953","","","","has coordinates","225515","2020-10-21","18:00:00",""
"4515363","16.95","0.003","42.69","0.009","33.423","0.007","90","","90","","90","","24185","8","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C84 H59 Cd3 N O15 -","- C84 H55 Cd3 N O15 -","- C672 H440 Cd24 N8 O120 -","8","1","","Eom, Sunhwi; Lee, Han Geul; Kang, Dong Won; Kang, Minjung; Kim, Hyojin; Kim, Youngseo; Park, Sungnam; Moon, Dohyun; Hong, Chang Seop","Discriminative Molecular Detection Based on Competitive Absorption by a Luminescent Metal-Organic Framework.","ACS applied materials & interfaces","2018","10","47","40372","40377","10.1021/acsami.8b16926","","","0.7","synchrotron","","0.1091","0.075","","","0.2259","0.2422","","","","","","1.008","","","","has coordinates,has disorder","225516","2020-10-21","18:00:00",""
"4515364","12.0465","0.0016","13.7062","0.0017","15.25","0.002","94.068","0.004","96.317","0.004","105.134","0.004","2402.8","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H18 N4 -","- C32 H18 N4 -","- C128 H72 N16 -","4","2","","Gan, Shifeng; Hu, Shimin; Li, Xiang-Long; Zeng, Jiajie; Zhang, Dongdong; Huang, Tianyu; Luo, Wenwen; Zhao, Zujin; Duan, Lian; Su, Shi-Jian; Tang, Ben Zhong","Heavy Atom Effect of Bromine Significantly Enhances Exciton Utilization of Delayed Fluorescence Luminogens.","ACS applied materials & interfaces","2018","10","20","17327","17334","10.1021/acsami.8b05389","","","0.71073","MoKα","","0.1847","0.0525","","","0.0725","0.0952","","","","","","0.889","","","","has coordinates","225517","2020-10-21","18:00:00",""
"4515365","23.8564","0.0019","12.3699","0.0008","28.581","0.003","90","","114.094","0.002","90","","7699.5","1.1","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C32 H16 Br2 N4 -","- C32 H16 Br2 N4 -","- C384 H192 Br24 N48 -","12","3","","Gan, Shifeng; Hu, Shimin; Li, Xiang-Long; Zeng, Jiajie; Zhang, Dongdong; Huang, Tianyu; Luo, Wenwen; Zhao, Zujin; Duan, Lian; Su, Shi-Jian; Tang, Ben Zhong","Heavy Atom Effect of Bromine Significantly Enhances Exciton Utilization of Delayed Fluorescence Luminogens.","ACS applied materials & interfaces","2018","10","20","17327","17334","10.1021/acsami.8b05389","","","0.71073","MoKα","","0.1986","0.0805","","","0.175","0.2275","","","","","","1.084","","","","has coordinates,has disorder","225518","2020-10-21","18:00:00",""
"4515366","9.9725","0.0012","17.532","0.002","22.757","0.003","90","","92.739","0.004","90","","3974.2","0.8","150","2","150.01","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H51.74 Br8 N6 O Sn -","- C18 H56 Br8 N6 O Sn -","- C72 H224 Br32 N24 O4 Sn4 -","4","0.5","","Fu, Pengfei; Huang, Menglin; Shang, Yuequn; Yu, Na; Zhou, Hao-Long; Zhang, Yue-Biao; Chen, Shiyou; Gong, Jinkang; Ning, Zhijun","Organic-Inorganic Layered and Hollow Tin Bromide Perovskite with Tunable Broadband Emission.","ACS applied materials & interfaces","2018","10","40","34363","34369","10.1021/acsami.8b07673","","","0.71073","MoKα","","0.1153","0.064","","","0.1609","0.1871","","","","","","1.032","","","","has coordinates,has disorder","225519","2020-10-21","18:00:00",""
"4515367","26.693","0.003","26.693","0.003","26.693","0.003","90","","90","","90","","19019","4","100","","100","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","UiO-67-OMe","","- C1.736 O1.028 S0.107 Zr0.118 -","- C1.73647 O1.02777 S0.107304 Zr0.117647 -","- C354.24 O209.666 S21.8899 Zr24 -","204","1.0625","","Park, Seungjae; Song, Hayoung; Ko, Nakeun; Kim, Changhee; Kim, Kimoon; Lee, Eunsung","SuFEx in Metal-Organic Frameworks: Versatile Postsynthetic Modification Tool.","ACS applied materials & interfaces","2018","10","40","33785","33789","10.1021/acsami.8b14065","","","0.71073","MoKα","","0.0722","0.0661","","","0.2053","0.2148","","","","","","1.0045","","","","has coordinates","225520","2020-10-21","18:00:00",""
"4515368","9.7499","0.0002","18.3486","0.0004","16.6672","0.0004","90","","101.353","0.001","90","","2923.37","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H54 Cd2 Cl N7 O28 -","- C48 H40 Cd2 Cl N6 O18 -","- C96 H80 Cd4 Cl2 N12 O36 -","2","0.5","","Sui, Qi; Li, Peng; Yang, Ning-Ning; Gong, Teng; Bu, Ran; Gao, En-Qing","Differentiable Detection of Volatile Amines with a Viologen-Derived Metal-Organic Material.","ACS applied materials & interfaces","2018","10","13","11056","11062","10.1021/acsami.8b01314","","","1.54178","CuKα","","0.0653","0.0454","","","0.118","0.1285","","","","","","1.007","","","","has coordinates","225521","2020-10-21","18:00:00",""
"4515369","11.7421","0.0005","5.5672","0.0002","22.7776","0.001","90","","100.076","0.002","90","","1466.02","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Ca I0.3 O6 S -","- C14 H8 Ca I0.295 O6 S -","- C56 H32 Ca4 I1.18 O24 S4 -","4","1","","Banerjee, Debasis; Chen, Xianyin; Lobanov, Sergey S.; Plonka, Anna M.; Chan, Xiaojun; Daly, John A.; Kim, Taejin; Thallapally, Praveen K.; Parise, John B.","Iodine Adsorption in Metal Organic Frameworks in the Presence of Humidity.","ACS applied materials & interfaces","2018","10","13","10622","10626","10.1021/acsami.8b02651","","","0.71073","MoKα","","0.0845","0.0841","","","0.216","0.2161","","","","","","1.268","","","","has coordinates","225522","2020-10-21","18:00:00",""
"4515370","13.841","0.004","13.841","0.004","47.743","0.014","90","","90","","120","","7921","4","296","2","296","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C18 H10 Ba2 N2 O11 -","- C18 H10 Ba2 N2 O11 -","- C216 H120 Ba24 N24 O132 -","12","1","","Li, Xiu-Yuan; Ma, Li-Na; Liu, Yang; Hou, Lei; Wang, Yao-Yu; Zhu, Zhonghua","Honeycomb Metal-Organic Framework with Lewis Acidic and Basic Bifunctional Sites: Selective Adsorption and CO<sub>2</sub> Catalytic Fixation.","ACS applied materials & interfaces","2018","10","13","10965","10973","10.1021/acsami.8b01291","","","0.71073","MoKα","","0.0755","0.0661","","","0.1503","0.156","","","","","","1.096","","","","has coordinates","225523","2020-10-21","18:00:00",""
"4515371","8.104","0.0004","4.416","0.0002","27.765","0.0013","90","","95.642","0.0014","90","","988.82","0.08","290","1","290","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H7 N O2 S -","- C12 H7 N O2 S -","- C48 H28 N4 O8 S4 -","4","1","","Song, Inho; Lee, Seung-Chul; Shang, Xiaobo; Ahn, Jaeyong; Jung, Hoon-Joo; Jeong, Chan-Uk; Kim, Sang-Wook; Yoon, Woojin; Yun, Hoseop; Kwon, O-Pil; Oh, Joon Hak","High-Performance Visible-Blind UV Phototransistors Based on n-Type Naphthalene Diimide Nanomaterials.","ACS applied materials & interfaces","2018","10","14","11826","11836","10.1021/acsami.8b01500","","","0.71073","MoKα","","0.0631","0.0377","","","0.0913","0.1093","","","","","","1.05","","","","has coordinates","225524","2020-10-21","18:00:00",""
"4515372","8.35","0.0003","8.606","0.0004","15.326","0.0007","98.552","0.0012","102.733","0.001","92.128","0.0011","1059.51","0.08","290","1","290","1","","","","","","","","4","P -1","-P 1","2","","","","- C28 H18 N2 O4 -","- C28 H18 N2 O4 -","- C56 H36 N4 O8 -","2","1","","Song, Inho; Lee, Seung-Chul; Shang, Xiaobo; Ahn, Jaeyong; Jung, Hoon-Joo; Jeong, Chan-Uk; Kim, Sang-Wook; Yoon, Woojin; Yun, Hoseop; Kwon, O-Pil; Oh, Joon Hak","High-Performance Visible-Blind UV Phototransistors Based on n-Type Naphthalene Diimide Nanomaterials.","ACS applied materials & interfaces","2018","10","14","11826","11836","10.1021/acsami.8b01500","","","0.71073","MoKα","","0.0577","0.0355","","","0.1007","0.1235","","","","","","1.096","","","","has coordinates","225525","2020-10-21","18:00:00",""
"4515373","25.4877","0.0008","25.7261","0.0008","25.8744","0.0008","71.2054","0.0018","61.6771","0.0017","61.2609","0.0016","12997.5","0.7","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C320 H350 Cu24 N18 O150 -","- C320 H350 Cu24 N18 O150 -","- C320 H350 Cu24 N18 O150 -","1","0.5","","Barreda, Omar; Bannwart, Gianluca; Yap, Glenn P. A.; Bloch, Eric D.","Ligand-Based Phase Control in Porous Molecular Assemblies.","ACS applied materials & interfaces","2018","10","14","11420","11424","10.1021/acsami.8b02015","","","1.54178","CuKα","","0.1819","0.1157","","","0.3115","0.3683","","","","","","1.037","","","","has coordinates,has disorder","225526","2020-10-21","18:00:00",""
"4515374","18.948","0.007","18.948","0.007","10.669","0.004","90","","90","","90","","3830","2","200","2","200","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C24 H24 Cu2 O12 -","- C24 H24 Cu2 O12 -","- C96 H96 Cu8 O48 -","4","0.25","","Barreda, Omar; Bannwart, Gianluca; Yap, Glenn P. A.; Bloch, Eric D.","Ligand-Based Phase Control in Porous Molecular Assemblies.","ACS applied materials & interfaces","2018","10","14","11420","11424","10.1021/acsami.8b02015","","","0.71073","MoKα","","0.124","0.0863","","","0.2058","0.2338","","","","","","1.042","","","","has coordinates,has disorder","225527","2020-10-21","18:00:00",""
"4515375","26.777","0.0006","26.777","0.0006","18.7751","0.0006","90","","90","","90","","13461.9","0.6","293","2","293","2","","","","","","","","4","P 4 n c","P 4 -2n","104","","","","- C18.5 H7 Cu2 O12 -","- C18.5 H7 Cu2 O12 -","- C296 H112 Cu32 O192 -","16","2","","Barreda, Omar; Bannwart, Gianluca; Yap, Glenn P. A.; Bloch, Eric D.","Ligand-Based Phase Control in Porous Molecular Assemblies.","ACS applied materials & interfaces","2018","10","14","11420","11424","10.1021/acsami.8b02015","","","1.54178","CuKα","","0.1418","0.1291","","","0.3419","0.3679","","","","","","1.634","","","","has coordinates","225528","2020-10-21","18:00:00",""
"4515376","18.6055","0.0011","18.6055","0.0011","6.9528","0.0004","90","","90","","120","","2084.4","0.2","200","2","200","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C22 H20 Cu2 O12 -","- C22 H20 Cu2 O12 -","- C66 H60 Cu6 O36 -","3","0.25","","Barreda, Omar; Bannwart, Gianluca; Yap, Glenn P. A.; Bloch, Eric D.","Ligand-Based Phase Control in Porous Molecular Assemblies.","ACS applied materials & interfaces","2018","10","14","11420","11424","10.1021/acsami.8b02015","","","0.71073","MoKα","","0.042","0.0348","","","0.0958","0.0999","","","","","","1.064","","","","has coordinates,has disorder","225529","2020-10-21","18:00:00",""
"4515377","29.119","0.002","29.119","0.002","40.949","0.004","90","","90","","90","","34721","5","200","2","200","2","","","","","","","","4","P 4/m","-P 4","83","","","","- C192 H72 Cu24 O142 -","- C192 H72 Cu24 O142 -","- C384 H144 Cu48 O284 -","2","0.25","","Barreda, Omar; Bannwart, Gianluca; Yap, Glenn P. A.; Bloch, Eric D.","Ligand-Based Phase Control in Porous Molecular Assemblies.","ACS applied materials & interfaces","2018","10","14","11420","11424","10.1021/acsami.8b02015","","","1.54178","CuKα","","0.1303","0.0925","","","0.2691","0.3157","","","","","","1.061","","","","has coordinates","225530","2020-10-21","18:00:00",""
"4515378","23.5934","0.0015","23.6713","0.0017","23.9591","0.0016","106.65","0.005","97.08","0.005","113.638","0.005","11303.6","1.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C268 H248 Cu24 N10 O144 -","- C268 H248 Cu24 N10 O144 -","- C268 H248 Cu24 N10 O144 -","1","0.5","","Barreda, Omar; Bannwart, Gianluca; Yap, Glenn P. A.; Bloch, Eric D.","Ligand-Based Phase Control in Porous Molecular Assemblies.","ACS applied materials & interfaces","2018","10","14","11420","11424","10.1021/acsami.8b02015","","","1.54178","CuKα","","0.1507","0.1097","","","0.3157","0.3433","","","","","","1.074","","","","has coordinates","225531","2020-10-21","18:00:00",""
"4515379","18.767","0.004","18.767","0.004","7.015","0.002","90","0.03","90","0.03","120","0.03","2139.7","1.1","199","2","199","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C20 H16 Cu2 O12 -","- C20 H16 Cu2 O12 -","- C60 H48 Cu6 O36 -","3","0.25","","Barreda, Omar; Bannwart, Gianluca; Yap, Glenn P. A.; Bloch, Eric D.","Ligand-Based Phase Control in Porous Molecular Assemblies.","ACS applied materials & interfaces","2018","10","14","11420","11424","10.1021/acsami.8b02015","","","0.71073","MoKα","","0.0656","0.0456","","","0.1178","0.1271","","","","","","1.077","","","","has coordinates,has disorder","225532","2020-10-21","18:00:00",""
"4515380","15.8733","0.0003","18.3788","0.0004","32.3346","0.0007","90","","93.2461","0.0012","90","","9417.9","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23.67 H22 Cu2 O12 -","- C23.6667 H22 Cu2 O12 -","- C284 H264 Cu24 O144 -","12","3","","Barreda, Omar; Bannwart, Gianluca; Yap, Glenn P. A.; Bloch, Eric D.","Ligand-Based Phase Control in Porous Molecular Assemblies.","ACS applied materials & interfaces","2018","10","14","11420","11424","10.1021/acsami.8b02015","","","1.54178","CuKα","","0.099","0.0757","","","0.2149","0.2408","","","","","","1.027","","","","has coordinates,has disorder","225533","2020-10-21","18:00:00",""
"4515381","18.4598","0.0007","18.4598","0.0007","8.9338","0.0004","90","","90","","120","","2636.46","0.18","200","2","200","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C24 H10 Cu2 O12 -","- C24 H10 Cu2 O12 -","- C72 H30 Cu6 O36 -","3","0.25","","Barreda, Omar; Bannwart, Gianluca; Yap, Glenn P. A.; Bloch, Eric D.","Ligand-Based Phase Control in Porous Molecular Assemblies.","ACS applied materials & interfaces","2018","10","14","11420","11424","10.1021/acsami.8b02015","","","1.54178","CuKα","","0.0926","0.0838","","","0.256","0.2779","","","","","","1.037","","","","has coordinates,has disorder","225534","2020-10-21","18:00:00",""
"4515382","27.4404","0.0005","27.4404","0.0005","119.124","0.003","90","","90","","120","","77680","3","200","2","200","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C258 H192 Cu24 N12 O144 -","- C258 H192 Cu24 N12 O144 -","- C1548 H1152 Cu144 N72 O864 -","6","0.166667","","Barreda, Omar; Bannwart, Gianluca; Yap, Glenn P. A.; Bloch, Eric D.","Ligand-Based Phase Control in Porous Molecular Assemblies.","ACS applied materials & interfaces","2018","10","14","11420","11424","10.1021/acsami.8b02015","","","1.54178","CuKα","","0.1624","0.1115","","","0.2753","0.343","","","","","","1.01","","","","has coordinates","225535","2020-10-21","18:00:00",""
"4515383","8.5676","0.0006","7.0454","0.0004","30.713","0.002","90","","90","","90","","1853.9","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H14 N2 O4 -","- C26 H14 N2 O4 -","- C104 H56 N8 O16 -","4","0.5","","Xu, Haixiao; Zhou, Yecheng; Zhang, Jing; Jin, Jianqun; Liu, Guangfeng; Li, Yongxin; Ganguly, Rakesh; Huang, Li; Xu, Wei; Zhu, Daoben; Huang, Wei; Zhang, Qichun","Polymer-Assisted Single Crystal Engineering of Organic Semiconductors To Alter Electron Transport.","ACS applied materials & interfaces","2018","10","14","11837","11842","10.1021/acsami.8b01731","","","0.71073","MoKα","","0.0914","0.0638","","","0.1476","0.1655","","","","","","1.058","","","","has coordinates","225536","2020-10-21","18:00:00",""
"4515384","11.9302","0.0003","8.1807","0.00016","15.6895","0.0003","90","","90","","90","","1531.25","0.06","120.65","0.1","120.65","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H6 Mn O8 -","- C5 H6 Mn O8 -","- C40 H48 Mn8 O64 -","8","1","","Zhang, Lin; Cheng, Fangyi; Shi, Wei; Chen, Jun; Cheng, Peng","Transition-Metal-Triggered High-Efficiency Lithium Ion Storage via Coordination Interactions with Redox-Active Croconate in One-Dimensional Metal-Organic Anode Materials.","ACS applied materials & interfaces","2018","10","7","6398","6406","10.1021/acsami.7b18758","","","0.71073","MoKα","","0.0344","0.0295","","","0.0705","0.0742","","","","","","1.084","","","","has coordinates","225537","2020-10-21","18:00:00",""
"4515385","11.8335","0.0007","8.098","0.0005","15.4367","0.0008","90","","90","","90","","1479.26","0.15","121.3","0.1","121.3","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H6 Co O8 -","- C5 H6 Co O8 -","- C40 H48 Co8 O64 -","8","1","","Zhang, Lin; Cheng, Fangyi; Shi, Wei; Chen, Jun; Cheng, Peng","Transition-Metal-Triggered High-Efficiency Lithium Ion Storage via Coordination Interactions with Redox-Active Croconate in One-Dimensional Metal-Organic Anode Materials.","ACS applied materials & interfaces","2018","10","7","6398","6406","10.1021/acsami.7b18758","","x-ray","0.71073","MoKα","","0.0615","0.0411","","","0.0851","0.1054","","","","","","1.083","","","","has coordinates","225538","2020-10-21","18:00:00",""
"4515386","8.4123","0.0005","10.5424","0.0005","17.0126","0.0007","77.818","0.004","85.519","0.004","72.94","0.005","1409.7","0.13","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H31 N O2 -","- C39 H31 N O2 -","- C78 H62 N2 O4 -","2","1","","Yan, Xibo; Remond, Maxime; Zheng, Zheng; Hoibian, Elsa; Soulage, Christophe; Chambert, Stéphane; Andraud, Chantal; Van der Sanden, Boudewijn; Ganachaud, François; Bretonnière, Yann; Bernard, Julien","General and Scalable Approach to Bright, Stable, and Functional AIE Fluorogen Colloidal Nanocrystals for in Vivo Imaging.","ACS applied materials & interfaces","2018","10","30","25154","25165","10.1021/acsami.8b07859","","","1.54184","CuKα","","0.0537","0.0465","","","0.1225","0.1294","","","","","","1.043","","","","has coordinates","225539","2020-10-21","18:00:00",""
"4515387","18.3481","0.0017","8.1691","0.0008","18.0409","0.0017","90","","103.687","0.009","90","","2627.3","0.4","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 N O4 S -","- C32 H27 N O4 S -","- C128 H108 N4 O16 S4 -","4","1","","Yan, Xibo; Remond, Maxime; Zheng, Zheng; Hoibian, Elsa; Soulage, Christophe; Chambert, Stéphane; Andraud, Chantal; Van der Sanden, Boudewijn; Ganachaud, François; Bretonnière, Yann; Bernard, Julien","General and Scalable Approach to Bright, Stable, and Functional AIE Fluorogen Colloidal Nanocrystals for in Vivo Imaging.","ACS applied materials & interfaces","2018","10","30","25154","25165","10.1021/acsami.8b07859","","x-ray","0.71073","MoKα","","0.0691","0.0498","","0.1049","0.0856","0.1049","","","","","","0.9842","","","","has coordinates","225540","2020-10-21","18:00:00",""
"4515388","7.086","0.001","8.811","0.001","15.64","0.001","89.596","0.008","84.32","0.009","68.33","0.01","902.55","0.19","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C46 H40 N4 O4 -","2","1","","Yan, Xibo; Remond, Maxime; Zheng, Zheng; Hoibian, Elsa; Soulage, Christophe; Chambert, Stéphane; Andraud, Chantal; Van der Sanden, Boudewijn; Ganachaud, François; Bretonnière, Yann; Bernard, Julien","General and Scalable Approach to Bright, Stable, and Functional AIE Fluorogen Colloidal Nanocrystals for in Vivo Imaging.","ACS applied materials & interfaces","2018","10","30","25154","25165","10.1021/acsami.8b07859","","","0.7107","MoKα","","0.0856","0.0613","","0.1585","0.1229","0.1585","","","","","","1.0036","","","","has coordinates","225541","2020-10-21","18:00:00",""
"4515389","15.2285","0.0004","40.8194","0.0014","13.2764","0.0005","90","","90","","90","","8252.9","0.5","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C11 H8 Cd N6 O4 -","- C11 H8 Cd N6 O4 -","- C176 H128 Cd16 N96 O64 -","16","1","","Das, Prasenjit; Mandal, Sanjay K.","Strategic Design and Functionalization of an Amine-Decorated Luminescent Metal Organic Framework for Selective Gas/Vapor Sorption and Nanomolar Sensing of 2,4,6-Trinitrophenol in Water.","ACS applied materials & interfaces","2018","10","30","25360","25371","10.1021/acsami.8b06339","","","0.71073","MoKα","","0.0238","0.0217","","","0.0487","0.0492","","","","","","1.04","","","","has coordinates","225542","2020-10-21","18:00:00",""
"4515390","10.5418","0.0004","10.6289","0.0004","10.8622","0.0004","117.754","0.002","118.399","0.002","91.783","0.002","896.18","0.07","170","2","169.99","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H19 Cl2 Cu1.5 N2 O5 -","- C15 H19 Cl2 Cu1.5 N2 O5 -","- C30 H38 Cl4 Cu3 N4 O10 -","2","1","","Kobielska, Paulina A.; Telford, Richard; Rowlandson, Jemma; Tian, Mi; Shahin, Zahraa; Demessence, Aude; Ting, Valeska P.; Nayak, Sanjit","Polynuclear Complexes as Precursor Templates for Hierarchical Microporous Graphitic Carbon: An Unusual Approach.","ACS applied materials & interfaces","2018","10","31","25967","25971","10.1021/acsami.8b10149","","","1.54178","CuKα","","0.0368","0.0352","","","0.092","0.0934","","","","","","1.0765","","","","has coordinates","225543","2020-10-21","18:00:00",""
"4515391","13.859","0.004","7.4399","0.0019","25.933","0.007","90","0.007","97.511","0.008","90","0.008","2651","1.2","100","2","100","2","","","","","","","","6","P 1 a 1","P -2ya","7","","","","- C56 H62 N4 O4 S Si4 -","- C54 H62 N4 O4 S Si4 -","- C108 H124 N8 O8 S2 Si8 -","2","1","","Usuki, Tsukasa; Shimada, Masaki; Yamanoi, Yoshinori; Ohto, Tatsuhiko; Tada, Hirokazu; Kasai, Hidetaka; Nishibori, Eiji; Nishihara, Hiroshi","Aggregation-Induced Emission Enhancement from Disilane-Bridged Donor-Acceptor-Donor Luminogens Based on the Triarylamine Functionality.","ACS applied materials & interfaces","2018","10","15","12164","12172","10.1021/acsami.7b14802","","","0.8","","","0.2146","0.1783","","","0.4009","0.4407","","","","","","1.896","","","","has coordinates","225544","2020-10-21","18:00:00",""
"4515392","10.2045","0.0002","12.3485","0.0003","19.28","0.0004","90","","97.7152","0.0009","90","","2407.49","0.09","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 B N O -","- C30 H30 B N O -","- C120 H120 B4 N4 O4 -","4","1","","Chen, Deng-Gao; Lin, Tzu-Chieh; Chen, Chi-Lin; Chen, Yi-Ting; Chen, Yi-An; Lee, Gene-Hsiang; Chou, Pi-Tai; Liao, Chia-Wei; Chiu, Po-Chen; Chang, Chih-Hao; Lien, Yi-Jyun; Chi, Yun","Optically Triggered Planarization of Boryl-Substituted Phenoxazine: Another Horizon of TADF Molecules and High-Performance OLEDs.","ACS applied materials & interfaces","2018","10","15","12886","12896","10.1021/acsami.8b00053","","","1.54178","CuKα","","0.0582","0.0486","","","0.1237","0.131","","","","","","1.029","","","","has coordinates","225545","2020-10-21","18:00:00",""
"4515393","13.1953","0.0002","13.2886","0.0002","16.2248","0.0003","90","","103.28","0.0005","90","","2768.9","0.08","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 B N O -","- C36 H34 B N O -","- C144 H136 B4 N4 O4 -","4","1","","Chen, Deng-Gao; Lin, Tzu-Chieh; Chen, Chi-Lin; Chen, Yi-Ting; Chen, Yi-An; Lee, Gene-Hsiang; Chou, Pi-Tai; Liao, Chia-Wei; Chiu, Po-Chen; Chang, Chih-Hao; Lien, Yi-Jyun; Chi, Yun","Optically Triggered Planarization of Boryl-Substituted Phenoxazine: Another Horizon of TADF Molecules and High-Performance OLEDs.","ACS applied materials & interfaces","2018","10","15","12886","12896","10.1021/acsami.8b00053","","","1.54178","CuKα","","0.0494","0.0441","","","0.1132","0.1178","","","","","","1.032","","","","has coordinates","225546","2020-10-21","18:00:00",""
"4515394","12.7873","0.0003","10.2281","0.0002","32.4829","0.0007","90","","96.682","0.001","90","","4219.57","0.16","90","0.2","90","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H50 N2 O4 Si -","- C50 H50 N2 O4 Si -","- C200 H200 N8 O16 Si4 -","4","1","","Park, So Min; Mazza, Samuel M.; Liang, Zhiming; Abtahi, Ashkan; Boehm, Alex M.; Parkin, Sean R.; Anthony, John E.; Graham, Kenneth R.","Processing Dependent Influence of the Hole Transport Layer Ionization Energy on Methylammonium Lead Iodide Perovskite Photovoltaics.","ACS applied materials & interfaces","2018","10","18","15548","15557","10.1021/acsami.7b16894","","","1.54178","CuKα","","0.0431","0.041","","","0.1047","0.1063","","","","","","1.041","","","","has coordinates","225547","2020-10-21","18:00:00",""
"4515395","10.853","0.0002","12.0141","0.0002","30.5957","0.0006","79.5986","0.0009","88.3033","0.0009","81.2214","0.0009","3877.81","0.12","90","0.2","90","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C91 H78 Cl3 N4 O8 Si -","- C91 H78 Cl3 N4 O8 Si -","- C182 H156 Cl6 N8 O16 Si2 -","2","1","","Park, So Min; Mazza, Samuel M.; Liang, Zhiming; Abtahi, Ashkan; Boehm, Alex M.; Parkin, Sean R.; Anthony, John E.; Graham, Kenneth R.","Processing Dependent Influence of the Hole Transport Layer Ionization Energy on Methylammonium Lead Iodide Perovskite Photovoltaics.","ACS applied materials & interfaces","2018","10","18","15548","15557","10.1021/acsami.7b16894","","","0.71073","MoKα","","0.0778","0.0529","","","0.123","0.138","","","","","","1.051","","","","has coordinates,has disorder","225548","2020-10-21","18:00:00",""
"4515396","14.4395","0.0003","13.817","0.0002","18.3269","0.0003","90","","100.609","0.001","90","","3593.91","0.11","90","0.2","90","0.2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C46 H42 N2 Si -","- C46 H42 N2 Si -","- C184 H168 N8 Si4 -","4","1","","Park, So Min; Mazza, Samuel M.; Liang, Zhiming; Abtahi, Ashkan; Boehm, Alex M.; Parkin, Sean R.; Anthony, John E.; Graham, Kenneth R.","Processing Dependent Influence of the Hole Transport Layer Ionization Energy on Methylammonium Lead Iodide Perovskite Photovoltaics.","ACS applied materials & interfaces","2018","10","18","15548","15557","10.1021/acsami.7b16894","","","1.54178","CuKα","","0.0281","0.0279","","","0.0765","0.0767","","","","","","1.048","","","","has coordinates","225549","2020-10-21","18:00:00",""
"4515397","16.929","0.004","16.929","0.004","15.306","0.004","90","","90","","120","","3798.9","1.6","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C42 H24 Co3 N6 O13 -","- C42 H24 Co3 N6 O13 -","- C84 H48 Co6 N12 O26 -","2","0.0833333","","Zhang, Tao; Hu, Yue-Qiao; Han, Tian; Zhai, Yuan-Qi; Zheng, Yan-Zhen","Redox-Active Cobalt(II/III) Metal-Organic Framework for Selective Oxidation of Cyclohexene.","ACS applied materials & interfaces","2018","10","18","15786","15792","10.1021/acsami.7b19323","","","0.71073","MoKα","","0.0386","0.0299","","","0.0799","0.0855","","","","","","1.1","","","","has coordinates","225550","2020-10-21","18:00:00",""
"4515398","32.987","0.007","31.548","0.006","16.376","0.003","90","","107.92","0.03","90","","16215","6","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C124 H92 N30 O18 S3 Zn4 -","- C124 H92 N30 O18 S3 Zn4 -","- C496 H368 N120 O72 S12 Zn16 -","4","0.5","","Fu, Hong-Ru; Wu, Xiao-Xia; Ma, Lu-Fang; Wang, Fei; Zhang, Jian","Dual-Emission SG7@MOF Sensor via SC-SC Transformation: Enhancing the Formation of Excimer Emission and the Range and Sensitivity of Detection.","ACS applied materials & interfaces","2018","10","21","18012","18020","10.1021/acsami.8b05614","","","0.71073","MoKα","","0.0913","0.0754","","","0.2841","0.3012","","","","","","1.294","","","","has coordinates","225551","2020-10-21","18:00:00",""
"4515399","7.3144","0.0003","13.551","0.0004","24.2326","0.0008","90","","96.353","0.004","90","","2387.12","0.15","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 K2 O36 Zn -","- C36 H44 K2 O36 Zn -","- C72 H88 K4 O72 Zn2 -","2","0.5","","Rezaei, Mahsa; Abbasi, Alireza; Dinarvand, Rassoul; Jeddi-Tehrani, Mahmood; Janczak, Jan","Design and Synthesis of a Biocompatible 1D Coordination Polymer as Anti-Breast Cancer Drug Carrier, 5-Fu: In Vitro and in Vivo Studies.","ACS applied materials & interfaces","2018","10","21","17594","17604","10.1021/acsami.8b03111","","","0.71073","MoKα","","0.1644","0.0756","","","0.1277","0.1522","","","","","","1.06","","","","has coordinates","225552","2020-10-21","18:00:00",""
"4515400","10.0146","0.0004","11.1886","0.0006","17.0626","0.0008","90","","100.955","0.005","90","","1877.01","0.16","105.5","","105.5","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 O5 -","- C21 H20 N2 O5 -","- C84 H80 N8 O20 -","4","1","","Wu, Zhen; Pan, Kai; Mo, Shenzhong; Wang, Bijun; Zhao, Xujie; Yin, Meizhen","Tetraphenylethene-Induced Free Volumes for the Isomerization of Spiropyran toward Multifunctional Materials in the Solid State.","ACS applied materials & interfaces","2018","10","36","30879","30886","10.1021/acsami.8b10322","","","0.71073","MoKα","","0.0487","0.0385","","","0.0925","0.099","","","","","","1.02","","","","has coordinates","225554","2020-10-21","18:00:00",""
"4515401","7.837","0.014","8.864","0.016","13.74","0.02","94.04","0.02","98.79","0.03","101.71","0.02","919","3","168.4","","168.4","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H43.09 Ag B F4 N4 O2 -","- C36 H43.1 Ag B F4 N4 O2 -","- C36 H43.1 Ag B F4 N4 O2 -","1","0.5","","Sarkar, Koushik; Khasimbi, Shaik; Mandal, Souvik; Dastidar, Parthasarathi","Rationally Developed Metallogelators Derived from Pyridyl Derivatives of NSAIDs Displaying Anti-Inflammatory and Anticancer Activities.","ACS applied materials & interfaces","2018","10","36","30649","30661","10.1021/acsami.8b09872","","","0.71073","MoKα","","0.0974","0.073","","","0.2203","0.2436","","","","","","1.047","","","","has coordinates,has disorder","225555","2020-10-21","18:00:00",""
"4515402","10.597","0.005","11.931","0.005","27.145","0.012","90.52","0.03","90.72","0.03","98.25","0.03","3396","3","120","2","120.01","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 N2 O -","- C18 H12 N2 O -","- C144 H96 N16 O8 -","8","4","","Sarkar, Koushik; Khasimbi, Shaik; Mandal, Souvik; Dastidar, Parthasarathi","Rationally Developed Metallogelators Derived from Pyridyl Derivatives of NSAIDs Displaying Anti-Inflammatory and Anticancer Activities.","ACS applied materials & interfaces","2018","10","36","30649","30661","10.1021/acsami.8b09872","","","0.71073","MoKα","","0.1421","0.0763","","","0.2251","0.2746","","","","","","1.049","","","","has coordinates,has disorder","225556","2020-10-21","18:00:00",""
"4515403","21.168","0.019","10.192","0.009","36.49","0.03","90","","90","","90","","7873","12","156","2","156.05","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C76 H87 Cu N10 O12 S2 -","- C76 H87 Cu N10 O12 S2 -","- C304 H348 Cu4 N40 O48 S8 -","4","1","","Sarkar, Koushik; Khasimbi, Shaik; Mandal, Souvik; Dastidar, Parthasarathi","Rationally Developed Metallogelators Derived from Pyridyl Derivatives of NSAIDs Displaying Anti-Inflammatory and Anticancer Activities.","ACS applied materials & interfaces","2018","10","36","30649","30661","10.1021/acsami.8b09872","","","0.71073","MoKα","","0.1499","0.0758","","","0.1823","0.2298","","","","","","1.011","","","","has coordinates,has disorder","225557","2020-10-21","18:00:00",""
"4515404","21.03","0.05","39.44","0.1","9.92","0.03","90","","90","","90","","8228","4","120","","120","","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C76 H72 Cu F6 N8 O12 S2 -","- C76 H72 Cu F6 N8 O12 S2 -","- C304 H288 Cu4 F24 N32 O48 S8 -","4","0.25","","Sarkar, Koushik; Khasimbi, Shaik; Mandal, Souvik; Dastidar, Parthasarathi","Rationally Developed Metallogelators Derived from Pyridyl Derivatives of NSAIDs Displaying Anti-Inflammatory and Anticancer Activities.","ACS applied materials & interfaces","2018","10","36","30649","30661","10.1021/acsami.8b09872","","","0.71073","MoKα","","0.183","0.0926","","","0.2435","0.3167","","","","","","1.077","","","","has coordinates,has disorder","225558","2020-10-21","18:00:00",""
"4515405","7.787","0.006","8.852","0.007","13.61","0.011","94.137","0.01","98.277","0.01","101.433","0.01","905","1.2","120","","120.01","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H42 Ag Cl N4 O6 -","- C36 H42 Ag Cl N4 O6 -","- C36 H42 Ag Cl N4 O6 -","1","0.5","","Sarkar, Koushik; Khasimbi, Shaik; Mandal, Souvik; Dastidar, Parthasarathi","Rationally Developed Metallogelators Derived from Pyridyl Derivatives of NSAIDs Displaying Anti-Inflammatory and Anticancer Activities.","ACS applied materials & interfaces","2018","10","36","30649","30661","10.1021/acsami.8b09872","","","0.71073","MoKα","","0.1389","0.1189","","","0.3313","0.3507","","","","","","1.276","","","","has coordinates,has disorder","225559","2020-10-21","18:00:00",""
"4515406","16.88","0.002","10.011","0.0012","9.7853","0.0013","90","","97.243","0.009","90","","1640.4","0.4","296","2","296.15","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C20 H17 F N2 O -","- C20 H17 F N2 O -","- C80 H68 F4 N8 O4 -","4","2","","Sarkar, Koushik; Khasimbi, Shaik; Mandal, Souvik; Dastidar, Parthasarathi","Rationally Developed Metallogelators Derived from Pyridyl Derivatives of NSAIDs Displaying Anti-Inflammatory and Anticancer Activities.","ACS applied materials & interfaces","2018","10","36","30649","30661","10.1021/acsami.8b09872","","","0.71073","MoKα","","0.1062","0.0753","","","0.2033","0.2355","","","","","","1.039","","","","has coordinates","225560","2020-10-21","18:00:00",""
"4515407","15.4117","0.0005","15.4117","0.0005","20.0413","0.0006","90","","90","","120","","4122.5","0.2","292.53","0.1","292.53","0.1","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C9 H7 Co N4 O3.33 -","- C9 H7 Co N4 O3.33333 -","- C54 H42 Co6 N24 O20 -","6","0.25","","Ye, Yingxiang; Chen, Shimin; Chen, Liangji; Huang, Jitao; Ma, Zhenlin; Li, Ziyin; Yao, Zizhu; Zhang, Jindan; Zhang, Zhangjing; Xiang, Shengchang","Additive-Induced Supramolecular Isomerism and Enhancement of Robustness in Co(II)-Based MOFs for Efficiently Trapping Acetylene from Acetylene-Containing Mixtures.","ACS applied materials & interfaces","2018","10","36","30912","30918","10.1021/acsami.8b11999","","x-ray","1.54184","CuKα","","0.0995","0.0898","","","0.2438","0.258","","","","","","1.114","","","","has coordinates,has disorder","225561","2020-10-21","18:00:00",""
"4515408","17.7497","0.0002","17.7497","0.0002","61.8767","0.0017","90","","90","","90","","19494.4","0.6","150","","150","","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C27 H21 Co3 N9 O10 -","- C27 H21 Co3 N9 O10 -","- C216 H168 Co24 N72 O80 -","8","0.25","","Ye, Yingxiang; Chen, Shimin; Chen, Liangji; Huang, Jitao; Ma, Zhenlin; Li, Ziyin; Yao, Zizhu; Zhang, Jindan; Zhang, Zhangjing; Xiang, Shengchang","Additive-Induced Supramolecular Isomerism and Enhancement of Robustness in Co(II)-Based MOFs for Efficiently Trapping Acetylene from Acetylene-Containing Mixtures.","ACS applied materials & interfaces","2018","10","36","30912","30918","10.1021/acsami.8b11999","","","1.54184","CuKα","","0.109","0.0878","","","0.2544","0.2732","","","","","","1.033","","","","has coordinates,has disorder","225562","2020-10-21","18:00:00",""
"4515409","26.4359","0.0018","17.7874","0.0011","9.5097","0.0006","90","","90","","90","","4471.7","0.5","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C49 H40 N4 Ni2 O14 -","- C49 H40 N4 Ni2 O14 -","- C196 H160 N16 Ni8 O56 -","4","0.5","","Chakraborty, Gouri; Das, Prasenjit; Mandal, Sanjay K.","Strategic Construction of Highly Stable Metal-Organic Frameworks Combining Both Semi-Rigid Tetrapodal and Rigid Ditopic Linkers: Selective and Ultrafast Sensing of 4-Nitroaniline in Water.","ACS applied materials & interfaces","2018","10","49","42406","42416","10.1021/acsami.8b15894","","","0.71073","MoKα","","0.0467","0.0386","","","0.1201","0.131","","","","","","1.029","","","","has coordinates","225563","2020-10-21","18:00:00",""
"4515410","19.4614","0.0007","19.4614","0.0007","9.5493","0.0004","90","","90","","90","","3616.8","0.2","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C73 H48 N4 O20 Zn4 -","- C73 H48 N4 O20 Zn4 -","- C146 H96 N8 O40 Zn8 -","2","0.25","","Chakraborty, Gouri; Das, Prasenjit; Mandal, Sanjay K.","Strategic Construction of Highly Stable Metal-Organic Frameworks Combining Both Semi-Rigid Tetrapodal and Rigid Ditopic Linkers: Selective and Ultrafast Sensing of 4-Nitroaniline in Water.","ACS applied materials & interfaces","2018","10","49","42406","42416","10.1021/acsami.8b15894","","","0.71073","MoKα","","0.0772","0.0616","","","0.1631","0.1802","","","","","","1.079","","","","has coordinates","225564","2020-10-21","18:00:00",""
"4515411","14.37","0.003","23.953","0.005","7.1279","0.0014","90","","91.48","0.03","90","","2452.6","0.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 F3 I3 N2 O2 -","- C19 H12 F3 I3 N2 O2 -","- C76 H48 F12 I12 N8 O8 -","4","1","","Chu, Manman; Qiu, Bing; Zhang, Wei; Zhou, Zhonghao; Yang, Xinzheng; Yan, Yongli; Yao, Jiannian; Li, Yong Jun; Zhao, Yong Sheng","Tailoring the Energy Levels and Cavity Structures toward Organic Cocrystal Microlasers.","ACS applied materials & interfaces","2018","10","49","42740","42746","10.1021/acsami.8b16294","","","0.71073","MoKα","","0.0446","0.0403","","","0.0767","0.0784","","","","","","1.116","","","","has coordinates","225565","2020-10-21","18:00:00",""
"4515412","4.0342","0.0008","19.652","0.004","19.647","0.004","90","","92.444","0.002","90","","1556.2","0.5","173.15","","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 F4 I2 N4 O4 -","- C32 H24 F4 I2 N4 O4 -","- C64 H48 F8 I4 N8 O8 -","2","0.5","","Chu, Manman; Qiu, Bing; Zhang, Wei; Zhou, Zhonghao; Yang, Xinzheng; Yan, Yongli; Yao, Jiannian; Li, Yong Jun; Zhao, Yong Sheng","Tailoring the Energy Levels and Cavity Structures toward Organic Cocrystal Microlasers.","ACS applied materials & interfaces","2018","10","49","42740","42746","10.1021/acsami.8b16294","","","0.71073","MoKα","","0.0367","0.0326","","","0.0601","0.0624","","","","","","1.176","","","","has coordinates","225566","2020-10-21","18:00:00",""
"4515413","36.542","0.016","36.542","0.016","4.623","0.003","90","","90","","120","","5346","5","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C234 H216 N36 O36 -","18","1","","Chu, Manman; Qiu, Bing; Zhang, Wei; Zhou, Zhonghao; Yang, Xinzheng; Yan, Yongli; Yao, Jiannian; Li, Yong Jun; Zhao, Yong Sheng","Tailoring the Energy Levels and Cavity Structures toward Organic Cocrystal Microlasers.","ACS applied materials & interfaces","2018","10","49","42740","42746","10.1021/acsami.8b16294","","","0.71073","MoKα","","0.1193","0.1016","","","0.187","0.1944","","","","","","1.274","","","","has coordinates","225567","2020-10-21","18:00:00",""
"4515414","13.7343","0.0009","14.0755","0.001","21.6401","0.0009","82.37","0.005","89.796","0.004","65.923","0.007","3779.7","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H62 Mo5 N8 O27 P2 Zn2 -","- C54 H62 Mo5 N8 O27 P2 Zn2 -","- C108 H124 Mo10 N16 O54 P4 Zn4 -","2","1","","Lu, Wei; Cui, Xiaoli; Xu, Xinxin; Chen, Jin; Wang, Qiang","Polyoxometalate Compound-Derived MoP-Based Electrocatalyst with N-Doped Mesoporous Carbon as Matrix, a Cathode Material for Zn-H<sup>+</sup> Battery.","ACS applied materials & interfaces","2018","10","49","42320","42327","10.1021/acsami.8b15380","","","0.71073","MoKα","","0.1842","0.1267","","","0.2877","0.3284","","","","","","1.026","","","","has coordinates","225568","2020-10-21","18:00:00",""
"4515415","8.7429","0.0002","9.2041","0.0002","28.3515","0.0007","90","","91.718","0.002","90","","2280.43","0.09","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H21 N3 -","- C31 H21 N3 -","- C124 H84 N12 -","4","1","","Chang, Shu-Yun; Lin, Guan-Ting; Cheng, Yu-Chieh; Huang, Jau-Jiun; Chang, Chiou-Ling; Lin, Chi-Feng; Lee, Jiun-Haw; Chiu, Tien-Lung; Leung, Man-Kit","Construction of Highly Efficient Carbazol-9-yl-Substituted Benzimidazole Bipolar Hosts for Blue Phosphorescent Light-Emitting Diodes: Isomer and Device Performance Relationships.","ACS applied materials & interfaces","2018","10","49","42723","42732","10.1021/acsami.8b15084","","","1.54178","CuKα","","0.0664","0.0453","","","0.1076","0.1226","","","","","","1.022","","","","has coordinates","225569","2020-10-21","18:00:00",""
"4515416","9.1933","0.0009","10.5069","0.0011","12.6008","0.0013","93.697","0.009","110.643","0.009","100.352","0.009","1109.6","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H21 N3 -","- C31 H21 N3 -","- C62 H42 N6 -","2","1","","Chang, Shu-Yun; Lin, Guan-Ting; Cheng, Yu-Chieh; Huang, Jau-Jiun; Chang, Chiou-Ling; Lin, Chi-Feng; Lee, Jiun-Haw; Chiu, Tien-Lung; Leung, Man-Kit","Construction of Highly Efficient Carbazol-9-yl-Substituted Benzimidazole Bipolar Hosts for Blue Phosphorescent Light-Emitting Diodes: Isomer and Device Performance Relationships.","ACS applied materials & interfaces","2018","10","49","42723","42732","10.1021/acsami.8b15084","","","1.54178","CuKα","","0.081","0.0481","","","0.1056","0.1257","","","","","","0.992","","","","has coordinates","225570","2020-10-21","18:00:00",""
"4515417","9.793","0.0007","24.0523","0.0014","9.7846","0.0006","90","","102.466","0.005","90","","2250.4","0.3","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H21 N3 -","- C31 H21 N3 -","- C124 H84 N12 -","4","1","","Chang, Shu-Yun; Lin, Guan-Ting; Cheng, Yu-Chieh; Huang, Jau-Jiun; Chang, Chiou-Ling; Lin, Chi-Feng; Lee, Jiun-Haw; Chiu, Tien-Lung; Leung, Man-Kit","Construction of Highly Efficient Carbazol-9-yl-Substituted Benzimidazole Bipolar Hosts for Blue Phosphorescent Light-Emitting Diodes: Isomer and Device Performance Relationships.","ACS applied materials & interfaces","2018","10","49","42723","42732","10.1021/acsami.8b15084","","","1.54178","CuKα","","0.0688","0.0474","","","0.1134","0.1269","","","","","","1.006","","","","has coordinates","225571","2020-10-21","18:00:00",""
"4515418","9.122","0.0004","16.7661","0.001","32.4618","0.0016","90","","91.796","0.005","90","","4962.3","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32.25 H24.5 Cl0.5 N3 O0.5 -","- C32.25 H24.5 Cl0.5 N3 O0.5 -","- C258 H196 Cl4 N24 O4 -","8","2","","Chang, Shu-Yun; Lin, Guan-Ting; Cheng, Yu-Chieh; Huang, Jau-Jiun; Chang, Chiou-Ling; Lin, Chi-Feng; Lee, Jiun-Haw; Chiu, Tien-Lung; Leung, Man-Kit","Construction of Highly Efficient Carbazol-9-yl-Substituted Benzimidazole Bipolar Hosts for Blue Phosphorescent Light-Emitting Diodes: Isomer and Device Performance Relationships.","ACS applied materials & interfaces","2018","10","49","42723","42732","10.1021/acsami.8b15084","","","1.54178","CuKα","","0.1526","0.0931","","","0.2198","0.2562","","","","","","1.056","","","","has coordinates,has disorder","225572","2020-10-21","18:00:00",""
"4515419","8.7445","0.0017","13.214","0.003","14.928","0.003","81.44","0.03","78.88","0.03","77.27","0.03","1640.7","0.6","153","2","153.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H23 B F8 Ir N5 -","- C36 H23 B F8 Ir N5 -","- C72 H46 B2 F16 Ir2 N10 -","2","1","","Ma, Dongxin; Zhang, Chen; Liu, Ruihuan; Qiu, Yong; Duan, Lian","Controlling Ion Distribution for High-Performance Organic Light-Emitting Diodes Based on Sublimable Cationic Iridium(III) Complexes.","ACS applied materials & interfaces","2018","10","35","29814","29823","10.1021/acsami.8b07382","","","0.71073","MoKα","","0.0985","0.0832","","","0.2283","0.2664","","","","","","1.183","","","","has coordinates,has disorder","225573","2020-10-21","18:00:00",""
"4515420","19.05","0.004","19.381","0.004","30.191","0.006","90","","90","","90","","11147","4","153","2","153.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H29 B F20 Ir N5 -","- C64 H29 B F20 Ir N5 -","- C512 H232 B8 F160 Ir8 N40 -","8","1","","Ma, Dongxin; Zhang, Chen; Liu, Ruihuan; Qiu, Yong; Duan, Lian","Controlling Ion Distribution for High-Performance Organic Light-Emitting Diodes Based on Sublimable Cationic Iridium(III) Complexes.","ACS applied materials & interfaces","2018","10","35","29814","29823","10.1021/acsami.8b07382","","","0.71073","MoKα","","0.1972","0.1862","","","0.3867","0.4029","","","","","","1.272","","","","has coordinates","225574","2020-10-21","18:00:00",""
"4515421","11.306","0.002","15.847","0.003","37.356","0.008","90","","90","","90","","6693","2","153","2","153.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H29 B F4 Ir N5 -","- C40 H29 B F4 Ir N5 -","- C320 H232 B8 F32 Ir8 N40 -","8","1","","Ma, Dongxin; Zhang, Chen; Liu, Ruihuan; Qiu, Yong; Duan, Lian","Controlling Ion Distribution for High-Performance Organic Light-Emitting Diodes Based on Sublimable Cationic Iridium(III) Complexes.","ACS applied materials & interfaces","2018","10","35","29814","29823","10.1021/acsami.8b07382","","","0.71073","MoKα","","0.0822","0.0617","","","0.2098","0.2637","","","","","","1.378","","","","has coordinates","225575","2020-10-21","18:00:00",""
"4515422","11.871","0.0009","16.6766","0.0014","21.2198","0.0018","90","","100.389","0.003","90","","4132","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Co-POM","","","- Co4 K6 Na4 O94 P2 W18 -","- Co4 K6 Na4 O94 P2 W18 -","- Co8 K12 Na8 O188 P4 W36 -","2","0.5","","Adhikary, Subhasis D.; Tiwari, Aarti; Nagaiah, Tharamani C.; Mandal, Debaprasad","Stabilization of Cobalt-Polyoxometalate over Poly(ionic liquid) Composites for Efficient Electrocatalytic Water Oxidation.","ACS applied materials & interfaces","2018","10","45","38872","38879","10.1021/acsami.8b12592","","","0.71073","MoKα","","0.0466","0.0405","","","0.1017","0.105","","","","","","1.083","","","","has coordinates,has disorder","225576","2020-10-21","18:00:00",""
"4515423","9.513","0.005","15.181","0.008","25.601","0.014","90","","90","","90","","3697","3","150","2","150","2","","","","","","","","6","P 2 2 21","P 2c 2","17","","","","- C64 H48 Cd2 N14 O10 S3 -","- C64 H48 Cd2 N14 O10 S3 -","- C128 H96 Cd4 N28 O20 S6 -","2","0.5","","Desai, Aamod V.; Joarder, Biplab; Roy, Arkendu; Samanta, Partha; Babarao, Ravichandar; Ghosh, Sujit K.","Multifunctional Behavior of Sulfonate-Based Hydrolytically Stable Microporous Metal-Organic Frameworks.","ACS applied materials & interfaces","2018","10","45","39049","39055","10.1021/acsami.8b14420","","","0.71073","MoKα","","0.1101","0.0694","","","0.1485","0.1664","","","","","","1.036","","","","has coordinates,has disorder","225577","2020-10-21","18:00:00",""
"4515424","9.5251","0.0006","15.1178","0.0008","25.8099","0.0014","90","","90","","90","","3716.6","0.4","150","2","150","2","","","","","","","","6","P 2 2 21","P 2c 2","17","","","","- C64 H48 Cd2 N15 O10 S3 -","- C64 H48 Cd2 N15 O10 S3 -","- C128 H96 Cd4 N30 O20 S6 -","2","0.5","","Desai, Aamod V.; Joarder, Biplab; Roy, Arkendu; Samanta, Partha; Babarao, Ravichandar; Ghosh, Sujit K.","Multifunctional Behavior of Sulfonate-Based Hydrolytically Stable Microporous Metal-Organic Frameworks.","ACS applied materials & interfaces","2018","10","45","39049","39055","10.1021/acsami.8b14420","","","0.71073","MoKα","","0.0696","0.0458","","","0.1007","0.1091","","","","","","1.049","","","","has coordinates,has disorder","225578","2020-10-21","18:00:00",""
"4515425","28.812","0.006","6.612","0.0013","21.508","0.004","90","","107.47","0.03","90","","3908.4","1.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 Cu2 Eu2 N4 O29 -","- C30 H18 Cu2 Eu2 N4 O29 -","- C120 H72 Cu8 Eu8 N16 O116 -","4","0.5","","Zheng, Xubin; Fan, Ruiqing; Song, Yang; Xing, Kai; Wang, Ping; Yang, Yulin","Dual-Emitting Eu(III)-Cu(II) Heterometallic-Organic Framework: Simultaneous, Selective, and Sensitive Detection of Hydrogen Sulfide and Ascorbic Acid in a Wide Range.","ACS applied materials & interfaces","2018","10","38","32698","32706","10.1021/acsami.8b11367","","","0.71073","MoKα","","0.0603","0.0459","","","0.1154","0.1302","","","","","","1.1","","","","has coordinates","225579","2020-10-21","18:00:00",""
"4515426","7.73","0.003","7.8084","0.0013","9.4033","0.0014","108.145","0.012","96.07","0.02","94.06","0.03","533.1","0.2","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H14 N4 S4 -","- C24 H14 N4 S4 -","- C24 H14 N4 S4 -","1","0.5","","Iijima, Kodai; Sanada, Ryo; Yoo, Dongho; Sato, Ryonosuke; Kawamoto, Tadashi; Mori, Takehiko","Carrier Charge Polarity in Mixed-Stack Charge-Transfer Crystals Containing Dithienobenzodithiophene.","ACS applied materials & interfaces","2018","10","12","10262","10269","10.1021/acsami.8b00416","","","0.71069","MoKα","","0.1944","0.0832","","","0.2003","0.258","","","","","","0.988","","","","has coordinates","225580","2020-10-21","18:00:00",""
"4515427","7.689","0.005","7.978","0.006","9.302","0.006","101.11","0.06","99.66","0.05","96.12","0.06","546.3","0.7","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H8 F2 N4 S4 -","- C26 H8 F2 N4 S4 -","- C26 H8 F2 N4 S4 -","1","0.5","","Iijima, Kodai; Sanada, Ryo; Yoo, Dongho; Sato, Ryonosuke; Kawamoto, Tadashi; Mori, Takehiko","Carrier Charge Polarity in Mixed-Stack Charge-Transfer Crystals Containing Dithienobenzodithiophene.","ACS applied materials & interfaces","2018","10","12","10262","10269","10.1021/acsami.8b00416","","","0.71069","MoKα","","","0.0521","","","","0.1605","","","","","","1.011","","","","has coordinates","225581","2020-10-21","18:00:00",""
"4515428","7.5661","0.001","7.974","0.0015","9.2855","0.0015","101.154","0.015","99.186","0.013","95.844","0.013","537.47","0.16","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H10 N4 S4 -","- C26 H10 N4 S4 -","- C26 H10 N4 S4 -","1","0.5","","Iijima, Kodai; Sanada, Ryo; Yoo, Dongho; Sato, Ryonosuke; Kawamoto, Tadashi; Mori, Takehiko","Carrier Charge Polarity in Mixed-Stack Charge-Transfer Crystals Containing Dithienobenzodithiophene.","ACS applied materials & interfaces","2018","10","12","10262","10269","10.1021/acsami.8b00416","","","0.71069","MoKα","","","0.044","","","","0.1168","","","","","","1.003","","","","has coordinates","225582","2020-10-21","18:00:00",""
"4515429","18.468","0.008","4.39","0.003","14.98","0.006","90","","96.04","0.03","90","","1207.8","1.1","298","","298","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C14 H6 S4 -","- C14 H6 S4 -","- C56 H24 S16 -","4","0.5","","Iijima, Kodai; Sanada, Ryo; Yoo, Dongho; Sato, Ryonosuke; Kawamoto, Tadashi; Mori, Takehiko","Carrier Charge Polarity in Mixed-Stack Charge-Transfer Crystals Containing Dithienobenzodithiophene.","ACS applied materials & interfaces","2018","10","12","10262","10269","10.1021/acsami.8b00416","","","0.71069","MoKα","","","0.0464","","","","0.1336","","","","","","1.042","","","","has coordinates","225583","2020-10-21","18:00:00",""
"4515430","7.8417","0.0016","7.8896","0.0014","9.4489","0.0014","98.948","0.014","100.39","0.02","94.36","0.03","564.73","0.18","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H6 F4 N4 S4 -","- C26 H6 F4 N4 S4 -","- C26 H6 F4 N4 S4 -","1","0.5","","Iijima, Kodai; Sanada, Ryo; Yoo, Dongho; Sato, Ryonosuke; Kawamoto, Tadashi; Mori, Takehiko","Carrier Charge Polarity in Mixed-Stack Charge-Transfer Crystals Containing Dithienobenzodithiophene.","ACS applied materials & interfaces","2018","10","12","10262","10269","10.1021/acsami.8b00416","","","0.71069","MoKα","","","0.0459","","","","0.132","","","","","","1.009","","","","has coordinates","225584","2020-10-21","18:00:00",""
"4515431","19.6805","0.0019","28.502","0.003","22.41","0.002","90","","112.151","0.003","90","","11643","2","195","2","195","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C170 H152 N8 O16 S4 -","- C170 H152 N8 O16 S4 -","- C340 H304 N16 O32 S8 -","2","0.5","","Wu, Qinghe; Zhao, Donglin; Goldey, Matthew B.; Filatov, Alexander S.; Sharapov, Valerii; Colón, Yamil J; Cai, Zhengxu; Chen, Wei; de Pablo, Juan; Galli, Giulia; Yu, Luping","Intra-molecular Charge Transfer and Electron Delocalization in Non-fullerene Organic Solar Cells.","ACS applied materials & interfaces","2018","10","12","10043","10052","10.1021/acsami.7b18717","","","0.41328","synchrotron","","0.349","0.2508","","","0.5296","0.5976","","","","","","1.068","","","","has coordinates,has disorder","225585","2020-10-21","18:00:00",""
"4515829","9.2036","0.0002","22.0461","0.0005","11.8589","0.0003","90","","90.067","0.001","90","","2406.21","0.1","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H28 N4 O3 -","- C28 H28 N4 O3 -","- C112 H112 N16 O12 -","4","2","","Lewin, Anita H.; Brieaddy, Larry; Deschamps, Jeffrey R.; Imler, Gregory H.; Mascarella, S. Wayne; Reddy, P. Anantha; Carroll, F. Ivy","Synthesis and Characterization of the Selective, Reversible PKC<sub>β</sub> Inhibitor (9 S)-9-[(Dimethylamino)methyl]-6,7,10,11-tetrahydro-9 H,18 H-5,21:12,17-dimethenodibenzo[ e,k]pyrrolo[3,4- h][1,4,13]oxadiazacyclohexadecine-18,20(19 H)-dione, Ruboxistaurin (LY333531).","ACS chemical neuroscience","2019","10","1","246","251","10.1021/acschemneuro.8b00196","","","1.54178","CuKα","","0.1017","0.0917","","","0.2143","0.2226","","","","","","1.082","","","","has coordinates","225929","2020-10-21","18:00:00",""
"4516817","7.7704","0.0005","16.1957","0.001","10.2976","0.0006","90","","90.612","0.002","90","","1295.85","0.14","120","","120","","","","","","","","","6","P 1 m 1","P -2y","6","","","","- C24.75 H29 Cl2 N2 O2.75 S2 -","- C24.75 H29 Cl2 N2 O2.75 S2 -","- C49.5 H58 Cl4 N4 O5.5 S4 -","2","1","","Zhang, Wei; Gan, Shiyu; Vezzoli, Andrea; Davidson, Ross J.; Milan, David C.; Luzyanin, Konstantin V.; Higgins, Simon J.; Nichols, Richard J.; Beeby, Andrew; Low, Paul J.; Li, Buyi; Niu, Li","Single-Molecule Conductance of Viologen-Cucurbit[8]uril Host-Guest Complexes.","ACS nano","2016","10","5","5212","5220","10.1021/acsnano.6b00786","","x-ray","0.71073","MoKα","","0.0486","0.0416","","","0.1105","0.1145","","","","","","1.035","","","","has coordinates,has disorder","239565","2020-10-21","18:00:00",""
"4517097","3.9241","0.0002","12.9719","0.0008","12.2347","0.0007","90","","93.228","0.003","90","","621.8","0.06","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Orientational Disorder of (trans)-4-Chloro-4′-nitrostilbene: A Detailed Analysis by Single Crystal X-ray Diffraction","Crystal Growth & Design","2010","10","1","52","","10.1021/cg801278j","","","0.71073","MoKα","","0.1137","0.0458","","","0.1007","0.1243","","","","","","1.036","","","","has coordinates","239740","2020-10-21","18:00:00",""
"4517098","3.9241","0.0002","12.9719","0.0008","12.2347","0.0007","90","","93.228","0.003","90","","621.8","0.06","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Orientational Disorder of (trans)-4-Chloro-4′-nitrostilbene: A Detailed Analysis by Single Crystal X-ray Diffraction","Crystal Growth & Design","2010","10","1","52","","10.1021/cg801278j","","","0.71073","MoKα","","0.1099","0.0426","","","0.0908","0.1158","","","","","","0.966","","","","has coordinates","239740","2020-10-21","18:00:00",""
"4517099","3.9241","0.0002","25.9438","0.0008","24.4694","0.0007","90","","93.228","0.003","90","","2487.18","0.16","293","2","293","2","","","","","","","","5","A 1","A 1","1","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C112 H80 Cl8 N8 O16 -","8","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Orientational Disorder of (trans)-4-Chloro-4′-nitrostilbene: A Detailed Analysis by Single Crystal X-ray Diffraction","Crystal Growth & Design","2010","10","1","52","","10.1021/cg801278j","","","0.71073","MoKα","","0.1305","0.0576","","","0.0993","0.1224","","","","","","1.074","","","","has coordinates,has disorder","239740","2020-10-21","18:00:00",""
"4517100","3.9264","0.0002","12.9747","0.0006","12.2334","0.0006","90","","93.232","0.002","90","","622.23","0.05","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Orientational Disorder of (trans)-4-Chloro-4′-nitrostilbene: A Detailed Analysis by Single Crystal X-ray Diffraction","Crystal Growth & Design","2010","10","1","52","","10.1021/cg801278j","","","0.71073","MoKα","","0.0917","0.0452","","","0.1032","0.1228","","","","","","1.06","","","","has coordinates","239740","2020-10-21","18:00:00",""
"4517101","3.9264","0.0002","12.9747","0.0006","12.2334","0.0006","90","","93.232","0.002","90","","622.23","0.05","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Orientational Disorder of (trans)-4-Chloro-4′-nitrostilbene: A Detailed Analysis by Single Crystal X-ray Diffraction","Crystal Growth & Design","2010","10","1","52","","10.1021/cg801278j","","","0.71073","MoKα","","0.0881","0.0423","","","0.0926","0.1135","","","","","","0.979","","","","has coordinates","239740","2020-10-21","18:00:00",""
"4517102","3.9264","0.0002","25.9494","0.0006","24.4668","0.0006","90","","93.232","0.002","90","","2488.9","0.15","293","2","293","2","","","","","","","","5","A 1","A 1","1","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C112 H80 Cl8 N8 O16 -","8","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Orientational Disorder of (trans)-4-Chloro-4′-nitrostilbene: A Detailed Analysis by Single Crystal X-ray Diffraction","Crystal Growth & Design","2010","10","1","52","","10.1021/cg801278j","","","0.71073","MoKα","","0.1085","0.0594","","","0.111","0.1284","","","","","","1.1","","","","has coordinates,has disorder","239740","2020-10-21","18:00:00",""
"4517103","3.9228","0.0002","12.9611","0.0006","12.1996","0.0006","90","","93.242","0.002","90","","619.28","0.05","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Orientational Disorder of (trans)-4-Chloro-4′-nitrostilbene: A Detailed Analysis by Single Crystal X-ray Diffraction","Crystal Growth & Design","2010","10","1","52","","10.1021/cg801278j","","","0.71073","MoKα","","0.1002","0.0565","","","0.1165","0.1328","","","","","","1.084","","","","has coordinates","239740","2020-10-21","18:00:00",""
"4517104","3.9228","0.0002","12.9611","0.0006","12.1996","0.0006","90","","93.242","0.002","90","","619.28","0.05","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Orientational Disorder of (trans)-4-Chloro-4′-nitrostilbene: A Detailed Analysis by Single Crystal X-ray Diffraction","Crystal Growth & Design","2010","10","1","52","","10.1021/cg801278j","","","0.71073","MoKα","","0.0972","0.0541","","","0.1101","0.1264","","","","","","1.031","","","","has coordinates","239740","2020-10-21","18:00:00",""
"4517105","3.9228","0.0002","25.8422","0.0006","24.3992","0.0006","90","","93.242","0.002","90","","2469.48","0.15","293","2","293","2","","","","","","","","5","A 1","A 1","1","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C112 H80 Cl8 N8 O16 -","8","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Orientational Disorder of (trans)-4-Chloro-4′-nitrostilbene: A Detailed Analysis by Single Crystal X-ray Diffraction","Crystal Growth & Design","2010","10","1","52","","10.1021/cg801278j","","","0.71073","MoKα","","0.1238","0.0807","","","0.1421","0.156","","","","","","1.117","","","","has coordinates,has disorder","239740","2020-10-21","18:00:00",""
"4517106","3.9232","0.0006","12.961","0.002","12.2008","0.0019","90","","93.232","0.012","90","","619.41","0.17","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Orientational Disorder of (trans)-4-Chloro-4′-nitrostilbene: A Detailed Analysis by Single Crystal X-ray Diffraction","Crystal Growth & Design","2010","10","1","52","","10.1021/cg801278j","","","1.54186","CuKα","","0.0699","0.0488","","","0.1134","0.1172","","","","","","1.148","","","","has coordinates","239740","2020-10-21","18:00:00",""
"4517107","3.9232","0.0006","12.961","0.002","12.2008","0.0019","90","","93.232","0.012","90","","619.41","0.17","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Orientational Disorder of (trans)-4-Chloro-4′-nitrostilbene: A Detailed Analysis by Single Crystal X-ray Diffraction","Crystal Growth & Design","2010","10","1","52","","10.1021/cg801278j","","","1.54186","CuKα","","0.0638","0.045","","","0.1031","0.1069","","","","","","1.048","","","","has coordinates","239740","2020-10-21","18:00:00",""
"4517108","3.9232","0.0006","25.922","0.002","24.4016","0.0019","90","","93.232","0.012","90","","2477.6","0.5","293","2","293","2","","","","","","","","5","A 1","A 1","1","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C112 H80 Cl8 N8 O16 -","8","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Orientational Disorder of (trans)-4-Chloro-4′-nitrostilbene: A Detailed Analysis by Single Crystal X-ray Diffraction","Crystal Growth & Design","2010","10","1","52","","10.1021/cg801278j","","","1.54186","CuKα","","0.1173","0.0898","","","0.2356","0.2481","","","","","","1.152","","","","has coordinates,has disorder","239740","2020-10-21","18:00:00",""
"4517109","3.91134","0.00007","12.9311","0.0002","12.1805","0.0002","90","","93.2477","0.0017","90","","615.075","0.018","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Orientational Disorder of (trans)-4-Chloro-4′-nitrostilbene: A Detailed Analysis by Single Crystal X-ray Diffraction","Crystal Growth & Design","2010","10","1","52","","10.1021/cg801278j","","","0.71","synchrotron","","0.0605","0.0497","","","0.1651","0.175","","","","","","1.011","","","","has coordinates","239740","2020-10-21","18:00:00",""
"4517110","3.91134","0.00007","12.9311","0.0002","12.1805","0.0002","90","","93.2477","0.0017","90","","615.075","0.018","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Orientational Disorder of (trans)-4-Chloro-4′-nitrostilbene: A Detailed Analysis by Single Crystal X-ray Diffraction","Crystal Growth & Design","2010","10","1","52","","10.1021/cg801278j","","","0.71","synchrotron","","0.0587","0.0477","","","0.1401","0.1521","","","","","","0.877","","","","has coordinates","239740","2020-10-21","18:00:00",""
"4517111","3.91134","0.00007","25.8622","0.0002","24.361","0.0002","90","","93.2477","0.0017","90","","2460.3","0.05","293","2","293","2","","","","","","","","5","A 1","A 1","1","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C112 H80 Cl8 N8 O16 -","8","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Orientational Disorder of (trans)-4-Chloro-4′-nitrostilbene: A Detailed Analysis by Single Crystal X-ray Diffraction","Crystal Growth & Design","2010","10","1","52","","10.1021/cg801278j","","","0.71","synchrotron","","0.11","0.0853","","","0.2996","0.3181","","","","","","1.443","","","","has coordinates,has disorder","239740","2020-10-21","18:00:00",""
"4517112","3.9204","0.00011","12.9598","0.0003","12.2004","0.0003","90","","93.26","0.002","90","","618.87","0.03","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Orientational Disorder of (trans)-4-Chloro-4′-nitrostilbene: A Detailed Analysis by Single Crystal X-ray Diffraction","Crystal Growth & Design","2010","10","1","52","","10.1021/cg801278j","","","0.71","synchrotron","","0.0542","0.0459","","","0.1412","0.147","","","","","","1.128","","","","has coordinates","239740","2020-10-21","18:00:00",""
"4517113","3.9204","0.00011","12.9598","0.0003","12.2004","0.0003","90","","93.26","0.002","90","","618.87","0.03","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Orientational Disorder of (trans)-4-Chloro-4′-nitrostilbene: A Detailed Analysis by Single Crystal X-ray Diffraction","Crystal Growth & Design","2010","10","1","52","","10.1021/cg801278j","","","0.71","synchrotron","","0.0513","0.0431","","","0.1152","0.1224","","","","","","0.938","","","","has coordinates","239740","2020-10-21","18:00:00",""
"4517114","3.9204","0.00011","25.9196","0.0003","24.4008","0.0003","90","","93.2666","0.0012","90","","2475.46","0.08","293","2","293","2","","","","","","","","5","A 1","A 1","1","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C112 H80 Cl8 N8 O16 -","8","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Orientational Disorder of (trans)-4-Chloro-4′-nitrostilbene: A Detailed Analysis by Single Crystal X-ray Diffraction","Crystal Growth & Design","2010","10","1","52","","10.1021/cg801278j","","","0.71","synchrotron","","0.1062","0.0884","","","0.2593","0.2686","","","","","","1.219","","","","has coordinates,has disorder","239740","2020-10-21","18:00:00",""
"4517115","3.92123","0.00005","12.96261","0.00016","12.20574","0.00017","90","","93.2666","0.0012","90","","619.402","0.014","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H9 Cl N O2 -","- C28 H18 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Orientational Disorder of (trans)-4-Chloro-4′-nitrostilbene: A Detailed Analysis by Single Crystal X-ray Diffraction","Crystal Growth & Design","2010","10","1","52","","10.1021/cg801278j","","","0.71","synchrotron","","0.0552","0.0483","","","0.1527","0.158","","","","","","1.246","","","","has coordinates","239740","2020-10-21","18:00:00",""
"4517116","3.92123","0.00005","12.96261","0.00016","12.20574","0.00017","90","","93.2666","0.0012","90","","619.402","0.014","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H9 Cl N O2 -","- C28 H18 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Orientational Disorder of (trans)-4-Chloro-4′-nitrostilbene: A Detailed Analysis by Single Crystal X-ray Diffraction","Crystal Growth & Design","2010","10","1","52","","10.1021/cg801278j","","","0.71","synchrotron","","0.0531","0.0464","","","0.1276","0.1342","","","","","","1.061","","","","has coordinates","239740","2020-10-21","18:00:00",""
"4517117","3.92123","0.00005","25.92522","0.00016","24.41148","0.00017","90","","93.2666","0.0012","90","","2477.61","0.04","293","2","293","2","","","","","","","","5","A 1","A 1","1","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C112 H80 Cl8 N8 O16 -","8","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Orientational Disorder of (trans)-4-Chloro-4′-nitrostilbene: A Detailed Analysis by Single Crystal X-ray Diffraction","Crystal Growth & Design","2010","10","1","52","","10.1021/cg801278j","","","0.71","synchrotron","","0.1052","0.0917","","","0.2742","0.281","","","","","","1.484","","","","has coordinates,has disorder","239740","2020-10-21","18:00:00",""
"4517118","3.91837","0.00006","12.95759","0.00018","12.20622","0.00018","90","","93.2678","0.0015","90","","618.734","0.016","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Orientational Disorder of (trans)-4-Chloro-4′-nitrostilbene: A Detailed Analysis by Single Crystal X-ray Diffraction","Crystal Growth & Design","2010","10","1","52","","10.1021/cg801278j","","","0.71","synchrotron","","0.0565","0.0488","","","0.1608","0.168","","","","","","1.15","","","","has coordinates","239740","2020-10-21","18:00:00",""
"4517119","3.91837","0.00006","12.95759","0.00018","12.20622","0.00018","90","","93.2678","0.0015","90","","618.734","0.016","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Orientational Disorder of (trans)-4-Chloro-4′-nitrostilbene: A Detailed Analysis by Single Crystal X-ray Diffraction","Crystal Growth & Design","2010","10","1","52","","10.1021/cg801278j","","","0.71","synchrotron","","0.0525","0.0451","","","0.1272","0.1361","","","","","","0.933","","","","has coordinates","239740","2020-10-21","18:00:00",""
"4517120","3.91837","0.00006","25.91518","0.00018","24.41244","0.00018","90","","93.2678","0.0015","90","","2474.94","0.05","293","2","293","2","","","","","","","","5","A 1","A 1","1","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C112 H80 Cl8 N8 O16 -","8","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Orientational Disorder of (trans)-4-Chloro-4′-nitrostilbene: A Detailed Analysis by Single Crystal X-ray Diffraction","Crystal Growth & Design","2010","10","1","52","","10.1021/cg801278j","","","0.71","synchrotron","","0.1112","0.0859","","","0.2686","0.2836","","","","","","1.185","","","","has coordinates,has disorder","239740","2020-10-21","18:00:00",""
"4517121","3.91748","0.00006","12.95332","0.00017","12.19925","0.00018","90","","93.2528","0.0013","90","","618.046","0.015","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Orientational Disorder of (trans)-4-Chloro-4′-nitrostilbene: A Detailed Analysis by Single Crystal X-ray Diffraction","Crystal Growth & Design","2010","10","1","52","","10.1021/cg801278j","","","0.71","synchrotron","","0.0575","0.0475","","","0.1477","0.1554","","","","","","1.112","","","","has coordinates","239740","2020-10-21","18:00:00",""
"4517122","3.91748","0.00006","12.95332","0.00017","12.19925","0.00018","90","","93.2528","0.0013","90","","618.046","0.015","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Orientational Disorder of (trans)-4-Chloro-4′-nitrostilbene: A Detailed Analysis by Single Crystal X-ray Diffraction","Crystal Growth & Design","2010","10","1","52","","10.1021/cg801278j","","","0.71","synchrotron","","0.0543","0.0446","","","0.1179","0.1273","","","","","","0.913","","","","has coordinates","239740","2020-10-21","18:00:00",""
"4517123","3.91748","0.00006","25.90664","0.00017","24.3985","0.00018","90","","93.2528","0.0013","90","","2472.18","0.05","293","2","293","2","","","","","","","","5","A 1","A 1","1","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C112 H80 Cl8 N8 O16 -","8","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Orientational Disorder of (trans)-4-Chloro-4′-nitrostilbene: A Detailed Analysis by Single Crystal X-ray Diffraction","Crystal Growth & Design","2010","10","1","52","","10.1021/cg801278j","","","0.71","synchrotron","","0.1147","0.0854","","","0.2587","0.275","","","","","","1.216","","","","has coordinates,has disorder","239740","2020-10-21","18:00:00",""
"4517169","9.6851","0.0003","7.3807","0.0003","31.3965","0.0011","90","","90","","90","","2244.31","0.14","180.01","0.12","180.01","0.12","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H22 O2 -","- C11 H22 O2 -","- C88 H176 O16 -","8","1","","Wu, Bin; Zhu, Rong","Radical Philicity Inversion in Co- and Fe-Catalyzed Hydrogen-Atom-Transfer-Initiated Cyclizations of Unsaturated Acylsilanes","ACS Catalysis","2019","10","1","510","","10.1021/acscatal.9b04774","","x-ray","1.54184","CuKα","","0.0795","0.0755","","","0.1797","0.182","","","","","","1.022","","","","has coordinates","246531","2020-10-21","18:00:00",""
"4517186","13.3839","0.0005","19.2766","0.0009","8.6173","0.0003","90","","126.48","0.002","90","","1787.62","0.13","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H22 N2 O3 S -","- C18 H22 N2 O3 S -","- C72 H88 N8 O12 S4 -","4","1","","Samanta, Sourav; Govindaraju, Thimmaiah","Unambiguous Detection of Elevated Levels of Hypochlorous Acid in Double Transgenic AD Mouse Brain.","ACS chemical neuroscience","2019","10","12","4847","4853","10.1021/acschemneuro.9b00554","","","0.71073","MoKα","","0.079","0.0641","","","0.1718","0.1875","","","","","","1.04","","","","has coordinates","246534","2020-10-21","18:00:00",""
"4517213","11.0969","0.0003","18.3586","0.0005","12.3866","0.0003","90","","94.46","0.002","90","","2515.8","0.11","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H52 F6 O4 P4 Pd -","- C58 H52 F6 O4 P4 Pd -","- C116 H104 F12 O8 P8 Pd2 -","2","0.5","","Tay, Dillon W. P.; Nobbs, James D.; Romain, Charles; White, Andrew J. P.; Aitipamula, Srinivasulu; van Meurs, Martin; Britovsek, George J. P.","gem-Dialkyl Effect in Diphosphine Ligands: Synthesis, Coordination Behavior, and Application in Pd-Catalyzed Hydroformylation","ACS Catalysis","2019","10","1","663","","10.1021/acscatal.9b03007","","","0.71073","MoKα","","0.0386","0.0291","","","0.0637","0.0694","","","","","","1.049","","","","has coordinates","246532","2020-10-21","18:00:00",""
"4517214","11.3082","0.0005","17.6113","0.0011","13.8182","0.0006","90","","92.789","0.004","90","","2748.7","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 Cl2 P2 Pd -","- C29 H30 Cl2 P2 Pd -","- C116 H120 Cl8 P8 Pd4 -","4","1","","Tay, Dillon W. P.; Nobbs, James D.; Romain, Charles; White, Andrew J. P.; Aitipamula, Srinivasulu; van Meurs, Martin; Britovsek, George J. P.","gem-Dialkyl Effect in Diphosphine Ligands: Synthesis, Coordination Behavior, and Application in Pd-Catalyzed Hydroformylation","ACS Catalysis","2019","10","1","663","","10.1021/acscatal.9b03007","","","0.71073","MoKα","","0.0541","0.0377","","","0.0735","0.0821","","","","","","1.022","","","","has coordinates","246532","2020-10-21","18:00:00",""
"4517215","21.8565","0.0006","14.7082","0.0004","22.7524","0.0006","90","","90","","90","","7314.2","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H44 Cl4 P2 Pd -","- C36 H44 Cl4 P2 Pd -","- C288 H352 Cl32 P16 Pd8 -","8","1","","Tay, Dillon W. P.; Nobbs, James D.; Romain, Charles; White, Andrew J. P.; Aitipamula, Srinivasulu; van Meurs, Martin; Britovsek, George J. P.","gem-Dialkyl Effect in Diphosphine Ligands: Synthesis, Coordination Behavior, and Application in Pd-Catalyzed Hydroformylation","ACS Catalysis","2019","10","1","663","","10.1021/acscatal.9b03007","","","0.71073","MoKα","","0.0713","0.0469","","","0.1043","0.1192","","","","","","1.046","","","","has coordinates,has disorder","246532","2020-10-21","18:00:00",""
"4517216","11.2984","0.0005","20.6157","0.0008","14.14","0.0006","90","","110.081","0.005","90","","3093.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H38 Cl2 P2 Pd -","- C33 H38 Cl2 P2 Pd -","- C132 H152 Cl8 P8 Pd4 -","4","1","","Tay, Dillon W. P.; Nobbs, James D.; Romain, Charles; White, Andrew J. P.; Aitipamula, Srinivasulu; van Meurs, Martin; Britovsek, George J. P.","gem-Dialkyl Effect in Diphosphine Ligands: Synthesis, Coordination Behavior, and Application in Pd-Catalyzed Hydroformylation","ACS Catalysis","2019","10","1","663","","10.1021/acscatal.9b03007","","x-ray","0.71073","MoKα","","0.0536","0.0352","","","0.074","0.0829","","","","","","1.033","","","","has coordinates","246532","2020-10-21","18:00:00",""
"4517217","5.1932","0.0002","15.4161","0.0006","18.5227","0.0012","72.871","0.005","83.638","0.004","89.832","0.003","1407.71","0.13","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C63 H56 B8 O16 -","- C63 H56 B8 O16 -","- C63 H56 B8 O16 -","1","0.5","","Michigami, Kenichi; Sakaguchi, Tatsuhiko; Takemoto, Yoshiji","Catalytic Dehydrative Peptide Synthesis with gem-Diboronic Acids","ACS Catalysis","2019","10","1","683","","10.1021/acscatal.9b03894","","x-ray","1.54184","CuKα","","0.107","0.0953","","","0.2701","0.2797","","","","","","1.06","","","","has coordinates,has disorder","246533","2020-10-21","18:00:00",""
"4517218","22.0893","0.0004","9.47947","0.00015","14.2315","0.0003","90","","107.915","0.002","90","","2835.51","0.1","140","0.1","140","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H40 O4 S Si4 -","- C20 H40 O4 S Si4 -","- C80 H160 O16 S4 Si16 -","4","1","","Zhang, Zhikun; Hu, Xile","Arylsilylation of Electron-Deficient Alkenes via Cooperative Photoredox and Nickel Catalysis","ACS Catalysis","2019","10","1","777","","10.1021/acscatal.9b04916","","x-ray","1.54184","CuKα","","0.0428","0.0414","","","0.1124","0.1139","","","","","","1.047","","","","has coordinates","246530","2020-10-21","18:00:00",""
"4517365","10.9997","0.0001","10.5162","0.0001","14.1245","0.0001","90","","106.586","0.001","90","","1565.87","0.02","100.02","0.1","100.02","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C37 H36 Fe N O P S -","- C37 H36 Fe N O P S -","- C74 H72 Fe2 N2 O2 P2 S2 -","2","1","","Ji, Wangqin; Wu, Hai-Hong; Zhang, Junliang","Axially Chiral Biaryl Monophosphine Oxides Enabled by Palladium/WJ-Phos-Catalyzed Asymmetric Suzuki‒Miyaura Cross-coupling","ACS Catalysis","2020","10","2","1548","1554","10.1021/acscatal.9b04354","","x-ray","1.54184","CuKα","","0.0452","0.0441","","","0.115","0.1157","","","","","","1.058","","","","has coordinates","256992","2020-10-21","18:00:00",""
"4517366","9.5052","0.0001","11.4481","0.0001","11.0312","0.0001","90","","93.722","0.001","90","","1197.84","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H23 O P -","- C32 H23 O P -","- C64 H46 O2 P2 -","2","1","","Ji, Wangqin; Wu, Hai-Hong; Zhang, Junliang","Axially Chiral Biaryl Monophosphine Oxides Enabled by Palladium/WJ-Phos-Catalyzed Asymmetric Suzuki‒Miyaura Cross-coupling","ACS Catalysis","2020","10","2","1548","1554","10.1021/acscatal.9b04354","","x-ray","1.54184","CuKα","","0.0357","0.0354","","","0.0971","0.0974","","","","","","1.053","","","","has coordinates","256992","2020-10-21","18:00:00",""
"4517367","10.3729","0.0003","11.5112","0.0002","15.6134","0.0003","90","","106.888","0.002","90","","1783.91","0.07","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C38 H37 Cl3 Fe N O2 P S -","- C38 H37 Cl3 Fe N O2 P S -","- C76 H74 Cl6 Fe2 N2 O4 P2 S2 -","2","1","","Ji, Wangqin; Wu, Hai-Hong; Zhang, Junliang","Axially Chiral Biaryl Monophosphine Oxides Enabled by Palladium/WJ-Phos-Catalyzed Asymmetric Suzuki‒Miyaura Cross-coupling","ACS Catalysis","2020","10","2","1548","1554","10.1021/acscatal.9b04354","","x-ray","1.54184","CuKα","","0.0609","0.0595","","","0.1537","0.1546","","","","","","1.049","","","","has coordinates","256992","2020-10-21","18:00:00",""
"4517368","13.5499","0.0005","15.2341","0.0005","24.4346","0.0009","90","","90","","90","","5043.8","0.3","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H24 F3 N O6 S -","- C27 H24 F3 N O6 S -","- C216 H192 F24 N8 O48 S8 -","8","1","","Uno, Hiroto; Imai, Takanori; Harada, Kyosuke; Shibata, Norio","Synthesis of Highly Functionalized 12-Membered Trifluoromethyl Heterocycles via a Nondecarboxylative Pd-Catalyzed [6 + 6] Annulation","ACS Catalysis","2020","10","2","1454","1459","10.1021/acscatal.9b05377","","","0.71075","MoKα","","","0.0527","","","","0.127","","","","","","1.032","","","","has coordinates","256993","2020-10-21","18:00:00",""
"4517369","8.4561","0.0003","8.5762","0.0003","12.4229","0.0004","110.047","0.0009","111.941","0.001","90.1156","0.0011","776.24","0.05","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 F3 N O4 S -","- C16 H12 F3 N O4 S -","- C32 H24 F6 N2 O8 S2 -","2","1","","Uno, Hiroto; Imai, Takanori; Harada, Kyosuke; Shibata, Norio","Synthesis of Highly Functionalized 12-Membered Trifluoromethyl Heterocycles via a Nondecarboxylative Pd-Catalyzed [6 + 6] Annulation","ACS Catalysis","2020","10","2","1454","1459","10.1021/acscatal.9b05377","","","0.71075","MoKα","","","0.0346","","","","0.1547","","","","","","1.131","","","","has coordinates","256993","2020-10-21","18:00:00",""
"4517370","9.4313","0.0003","11.4154","0.0004","13.8509","0.0004","84.332","0.006","74.645","0.006","85.308","0.006","1428.55","0.09","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H29 F4 N O6 S -","- C29 H29 F4 N O6 S -","- C58 H58 F8 N2 O12 S2 -","2","1","","Uno, Hiroto; Imai, Takanori; Harada, Kyosuke; Shibata, Norio","Synthesis of Highly Functionalized 12-Membered Trifluoromethyl Heterocycles via a Nondecarboxylative Pd-Catalyzed [6 + 6] Annulation","ACS Catalysis","2020","10","2","1454","1459","10.1021/acscatal.9b05377","","","0.71075","MoKα","","","0.0484","","","","0.1277","","","","","","1.035","","","","has coordinates","256993","2020-10-21","18:00:00",""
"4517383","9.6286","0.0003","10.7523","0.0003","25.4679","0.0008","90","","90","","90","","2636.68","0.14","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 Br2 O4 -","- C31 H26 Br2 O4 -","- C124 H104 Br8 O16 -","4","1","","Liu, Na; Zhu, Wanjiang; Yao, Jian; Yin, Long; Lu, Tao; Dou, Xiaowei","Catalyst-Controlled Chemodivergent Synthesis of Spirochromans from Diarylideneacetones and Organoboronic Acids","ACS Catalysis","2020","10","4","2596","2602","10.1021/acscatal.9b05577","","","0.71073","MoKα","","0.0455","0.0321","","","0.0562","0.0613","","","","","","1.047","","","","has coordinates","256991","2020-10-21","18:00:00",""
"4517384","7.712","0.002","10.915","0.003","12.298","0.003","114.959","0.006","99.228","0.006","100.157","0.007","891.3","0.4","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H20 O3 -","- C24 H20 O3 -","- C48 H40 O6 -","2","1","","Liu, Na; Zhu, Wanjiang; Yao, Jian; Yin, Long; Lu, Tao; Dou, Xiaowei","Catalyst-Controlled Chemodivergent Synthesis of Spirochromans from Diarylideneacetones and Organoboronic Acids","ACS Catalysis","2020","10","4","2596","2602","10.1021/acscatal.9b05577","","","0.71073","MoKα","","0.0868","0.0541","","","0.1265","0.1469","","","","","","0.992","","","","has coordinates","256991","2020-10-21","18:00:00",""
"4517385","8.89","0.0004","21.1643","0.0011","11.0358","0.0005","90","","104.694","0.002","90","","2008.48","0.17","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C53 H42 O2 P2 -","- C53 H42 O2 P2 -","- C106 H84 O4 P4 -","2","1","","Liu, Na; Zhu, Wanjiang; Yao, Jian; Yin, Long; Lu, Tao; Dou, Xiaowei","Catalyst-Controlled Chemodivergent Synthesis of Spirochromans from Diarylideneacetones and Organoboronic Acids","ACS Catalysis","2020","10","4","2596","2602","10.1021/acscatal.9b05577","","","0.71073","MoKα","","0.0643","0.0458","","","0.0891","0.1004","","","","","","1.036","","","","has coordinates","256991","2020-10-21","18:00:00",""
"4517476","15.7036","0.0016","13.5822","0.0014","9.9735","0.001","90","","97.264","0.007","90","","2110.2","0.4","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H33 Br O -","- C23 H33 Br O -","- C92 H132 Br4 O4 -","4","1","","Takahashi, Toshifumi; Kurahashi, Takuya; Matsubara, Seijiro","Nickel-Catalyzed Intermolecular Carbobromination of Alkynes","ACS Catalysis","2020","10","6","3773","3777","10.1021/acscatal.0c00980","","","0.71075","MoKα","","","0.0604","","","","0.1311","","","","","","1.035","","","","has coordinates","256994","2020-10-21","18:00:00",""
"4517477","9.0497","0.0003","11.0964","0.0005","17.4034","0.0005","80.749","0.003","86.494","0.002","89.645","0.003","1721.66","0.11","99.99","0.1","99.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 Br O -","- C20 H21 Br O -","- C80 H84 Br4 O4 -","4","2","","Takahashi, Toshifumi; Kurahashi, Takuya; Matsubara, Seijiro","Nickel-Catalyzed Intermolecular Carbobromination of Alkynes","ACS Catalysis","2020","10","6","3773","3777","10.1021/acscatal.0c00980","","x-ray","1.54184","CuKα","","0.0932","0.0868","","","0.2355","0.2403","","","","","","1.083","","","","has coordinates","256994","2020-10-21","18:00:00",""
"4517481","9.6626","0.0011","10.1376","0.0012","11.1294","0.0015","97.909","0.011","105.084","0.011","114.113","0.011","923.2","0.2","100.01","0.12","100.01","0.12","","","","","","","","4","P -1","-P 1","2","","","","- C21 H24 N4 O -","- C21 H24 N4 O -","- C42 H48 N8 O2 -","2","1","","Tan, Jin-Fay; Bormann, Carl Thomas; Severin, Kay; Cramer, Nicolai","Alkynyl Triazenes as Fluoroalkyne Surrogates: Regioselective Access to 4-Fluoro-2-pyridones by a Rh(III)-Catalyzed C‒H Activation‒Lossen Rearrangement‒Wallach Reaction","ACS Catalysis","2020","10","6","3790","3796","10.1021/acscatal.0c00499","","x-ray","0.71073","MoKα","","0.0974","0.0683","","","0.1658","0.1834","","","","","","1.06","","","","has coordinates","256996","2020-10-21","18:00:00",""
"4517482","10.2367","0.0003","11.4102","0.0004","13.7829","0.0005","109.851","0.003","92.169","0.003","112.466","0.003","1373.04","0.1","140","0.11","140","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 F N O -","- C18 H14 F N O -","- C72 H56 F4 N4 O4 -","4","2","","Tan, Jin-Fay; Bormann, Carl Thomas; Severin, Kay; Cramer, Nicolai","Alkynyl Triazenes as Fluoroalkyne Surrogates: Regioselective Access to 4-Fluoro-2-pyridones by a Rh(III)-Catalyzed C‒H Activation‒Lossen Rearrangement‒Wallach Reaction","ACS Catalysis","2020","10","6","3790","3796","10.1021/acscatal.0c00499","","x-ray","1.54184","CuKα","","0.0443","0.0405","","","0.1127","0.1177","","","","","","1.023","","","","has coordinates","256996","2020-10-21","18:00:00",""
"4517495","7.447","0.0002","14.6245","0.0004","19.8929","0.0005","90","","90","","90","","2166.51","0.1","179.99","0.1","179.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 O3 -","- C27 H34 O3 -","- C108 H136 O12 -","4","1","","Zhuo, Junming; Zhang, Yong; Li, Zijian; Li, Chao","Nickel-Catalyzed Direct Acylation of Aryl and Alkyl Bromides with Acylimidazoles","ACS Catalysis","2020","10","6","3895","3903","10.1021/acscatal.0c00246","","x-ray","0.71073","MoKα","","0.0405","0.0358","","","0.0908","0.0945","","","","","","1.031","","","","has coordinates","256995","2020-10-21","18:00:00",""
"4517496","12.2802","0.0006","7.2838","0.0004","37.4807","0.0017","90","","90.803","0.004","90","","3352.2","0.3","180","0.1","180","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C39 H54 O5 -","- C39 H54 O5 -","- C156 H216 O20 -","4","1","","Zhuo, Junming; Zhang, Yong; Li, Zijian; Li, Chao","Nickel-Catalyzed Direct Acylation of Aryl and Alkyl Bromides with Acylimidazoles","ACS Catalysis","2020","10","6","3895","3903","10.1021/acscatal.0c00246","","x-ray","0.71073","MoKα","","0.1091","0.0598","","","0.1074","0.1213","","","","","","1.01","","","","has coordinates","256995","2020-10-21","18:00:00",""
"4517497","5.9236","0.0012","13.586","0.003","12.496","0.003","90","","100.7","0.03","90","","988.2","0.4","113.15","","113.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H32 O4 -","- C22 H32 O4 -","- C44 H64 O8 -","2","1","","Zhuo, Junming; Zhang, Yong; Li, Zijian; Li, Chao","Nickel-Catalyzed Direct Acylation of Aryl and Alkyl Bromides with Acylimidazoles","ACS Catalysis","2020","10","6","3895","3903","10.1021/acscatal.0c00246","","","0.71073","MoKα","","0.0631","0.0447","","","0.096","0.1134","","","","","","0.925","","","","has coordinates","256995","2020-10-21","18:00:00",""
"4517502","17.846","0.0003","15.0741","0.0002","18.2288","0.0003","90","","94.492","0.001","90","","4888.71","0.13","101","2","101","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H37 Cl3 N P Pd -","- C20 H37 Cl3 N P Pd -","- C160 H296 Cl24 N8 P8 Pd8 -","8","1","","Hu, Huaiyuan; Gilliam, Ashley M.; Qu, Fengrui; Shaughnessy, Kevin H.","Enolizable Ketones as Activators of Palladium(II) Precatalysts in Amine Arylation Reactions","ACS Catalysis","2020","10","7","4127","4135","10.1021/acscatal.0c00221","","x-ray","0.71073","MoKα","","0.0176","0.016","","","0.0393","0.0398","","","","","","1.0368","","","","has coordinates,has disorder","257005","2020-10-21","18:00:00",""
"4517513","16.6366","0.0007","12.7954","0.0006","37.4749","0.0017","90","","101.172","0.002","90","","7826.2","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H64 B Co F24 P4 -","- C86 H64 B Co F24 P4 -","- C344 H256 B4 Co4 F96 P16 -","4","1","","Gray, Montgomery; Hines, Michael T.; Parsutkar, Mahesh M.; Wahlstrom, A. J.; Brunelli, Nicholas A.; RajanBabu, T. V.","Mechanism of Cobalt-Catalyzed Heterodimerization of Acrylates and 1,3-Dienes. A Potential Role of Cationic Cobalt(I) Intermediates","ACS Catalysis","2020","10","7","4337","4348","10.1021/acscatal.9b05455","","x-ray","0.71073","MoKα","","0.0421","0.0348","","","0.0881","0.0921","","","","","","1.023","","","","has coordinates,has disorder","257007","2020-10-21","18:00:00",""
"4517514","14.1589","0.0009","17.0352","0.001","24.3773","0.0014","90","","100.025","0.003","90","","5790","0.6","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H60 Br3 Co O P4 Zn -","- C58 H60 Br3 Co O P4 Zn -","- C232 H240 Br12 Co4 O4 P16 Zn4 -","4","1","","Gray, Montgomery; Hines, Michael T.; Parsutkar, Mahesh M.; Wahlstrom, A. J.; Brunelli, Nicholas A.; RajanBabu, T. V.","Mechanism of Cobalt-Catalyzed Heterodimerization of Acrylates and 1,3-Dienes. A Potential Role of Cationic Cobalt(I) Intermediates","ACS Catalysis","2020","10","7","4337","4348","10.1021/acscatal.9b05455","","x-ray","0.71073","MoKα","","0.0537","0.0359","","","0.0867","0.0929","","","","","","1.044","","","","has coordinates,has disorder","257007","2020-10-21","18:00:00",""
"4517519","10.2077","0.0004","19.7705","0.0007","8.1575","0.0003","90","","97.395","0.001","90","","1632.58","0.11","99.93","","99.93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 O -","- C21 H18 N2 O -","- C84 H72 N8 O4 -","4","1","","Zhu, Cuiju; Kuniyil, Rositha; Jei, Becky B.; Ackermann, Lutz","Domino C‒H Activation/Directing Group Migration/Alkyne Annulation: Unique Selectivity by d6-Cobalt(III) Catalysts","ACS Catalysis","2020","10","7","4444","4450","10.1021/acscatal.9b05413","","","0.71073","MoKα","","0.038","0.0364","","","0.0939","0.0953","","","","","","1.071","","","","has coordinates","257006","2020-10-21","18:00:00",""
"4517520","9.0581","0.0012","9.9273","0.0012","10.2645","0.0012","105.947","0.004","96.819","0.004","97.151","0.004","869.2","0.19","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C44 H40 N4 O2 -","2","1","","Zhu, Cuiju; Kuniyil, Rositha; Jei, Becky B.; Ackermann, Lutz","Domino C‒H Activation/Directing Group Migration/Alkyne Annulation: Unique Selectivity by d6-Cobalt(III) Catalysts","ACS Catalysis","2020","10","7","4444","4450","10.1021/acscatal.9b05413","","","0.71073","MoKα","","0.0437","0.0409","","","0.1051","0.1077","","","","","","1.036","","","","has coordinates","257006","2020-10-21","18:00:00",""
"4517521","8.7963","0.0009","10.354","0.0012","11.5419","0.0014","110.43","0.003","100.373","0.003","101.27","0.004","930.16","0.19","100.01","","100.01","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H20 N2 O -","- C25 H20 N2 O -","- C50 H40 N4 O2 -","2","1","","Zhu, Cuiju; Kuniyil, Rositha; Jei, Becky B.; Ackermann, Lutz","Domino C‒H Activation/Directing Group Migration/Alkyne Annulation: Unique Selectivity by d6-Cobalt(III) Catalysts","ACS Catalysis","2020","10","7","4444","4450","10.1021/acscatal.9b05413","","","0.71073","MoKα","","0.0469","0.041","","","0.1026","0.1081","","","","","","1.048","","","","has coordinates","257006","2020-10-21","18:00:00",""
"4517547","15.249","0.0008","6.1775","0.0003","16.2653","0.0009","90","","113.939","0.002","90","","1400.4","0.13","170","2","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H22 O2 -","- C17 H22 O2 -","- C68 H88 O8 -","4","2","","Dai, Zhen-Yao; Nong, Zhong-Sheng; Wang, Pu-Sheng","Light-Mediated Asymmetric Aliphatic C‒H Alkylation with Hydrogen Atom Transfer Catalyst and Chiral Phosphoric Acid","ACS Catalysis","2020","10","8","4786","4790","10.1021/acscatal.0c00610","","","1.34139","GaKα","","0.0877","0.0652","","","0.1546","0.1739","","","","","","1.025","","","","has coordinates","256990","2020-10-21","18:00:00",""
"4517568","31.3169","0.0009","13.0613","0.0003","7.9634","0.0002","90","","90","","90","","3257.34","0.15","179.99","0.1","179.99","0.1","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C17 H14 Cl I N2 O2 -","- C17 H14 Cl I N2 O2 -","- C136 H112 Cl8 I8 N16 O16 -","8","1","","Sun, Han-Li; Yang, Fan; Ye, Wei-Ting; Wang, Jun-Jie; Zhu, Rong","Dual Cobalt and Photoredox Catalysis Enabled Intermolecular Oxidative Hydrofunctionalization","ACS Catalysis","2020","10","9","4983","4989","10.1021/acscatal.0c01209","","x-ray","0.71073","MoKα","","0.0302","0.0233","","","0.0505","0.0525","","","","","","1.025","","","","has coordinates","257010","2020-10-21","18:00:00",""
"4517571","8.0634","0.0002","19.6046","0.0006","12.6297","0.0004","90","","93.722","0.003","90","","1992.29","0.1","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Cl Ir N2 O -","- C22 H26 Cl Ir N2 O -","- C88 H104 Cl4 Ir4 N8 O4 -","4","1","","Mahato, Sanjit K.; Chatani, Naoto","The Iridium(III)-Catalyzed Direct C(sp2)‒ and C(sp3)‒H Alkynylation of 2-Acylimidazoles with Various Alkynyl Bromides: Understanding the Full Catalytic Cycle","ACS Catalysis","2020","10","9","5173","5178","10.1021/acscatal.0c01189","","","0.71073","MoKα","","0.0416","0.0344","","","0.0839","0.0867","","","","","","1.088","","","","has coordinates","257008","2020-10-21","18:00:00",""
"4517572","20.4075","0.0004","8.0569","0.0002","14.2212","0.0003","90","","103.892","0.002","90","","2269.87","0.09","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H32 N2 O2 Si -","- C23 H32 N2 O2 Si -","- C92 H128 N8 O8 Si4 -","4","1","","Mahato, Sanjit K.; Chatani, Naoto","The Iridium(III)-Catalyzed Direct C(sp2)‒ and C(sp3)‒H Alkynylation of 2-Acylimidazoles with Various Alkynyl Bromides: Understanding the Full Catalytic Cycle","ACS Catalysis","2020","10","9","5173","5178","10.1021/acscatal.0c01189","","","1.54184","CuKα","","0.0954","0.0874","","","0.2409","0.2485","","","","","","1.083","","","","has coordinates","257008","2020-10-21","18:00:00",""
"4517573","8.2563","0.0005","8.5661","0.0004","19.6108","0.0011","78.098","0.004","89.653","0.005","71.445","0.005","1283.94","0.13","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H36 N2 O3 S Si -","- C27 H36 N2 O3 S Si -","- C54 H72 N4 O6 S2 Si2 -","2","1","","Mahato, Sanjit K.; Chatani, Naoto","The Iridium(III)-Catalyzed Direct C(sp2)‒ and C(sp3)‒H Alkynylation of 2-Acylimidazoles with Various Alkynyl Bromides: Understanding the Full Catalytic Cycle","ACS Catalysis","2020","10","9","5173","5178","10.1021/acscatal.0c01189","","","1.54184","CuKα","","0.0719","0.0647","","","0.1747","0.1829","","","","","","1.036","","","","has coordinates","257008","2020-10-21","18:00:00",""
"4517574","43.3006","0.0008","12.9147","0.0002","24.7725","0.0004","90","","103.997","0.0017","90","","13441.8","0.4","123","","123","","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C65 H59 B Cl F24 Ir N2 O Si -","- C65 H59 B Cl F24 Ir N2 O Si -","- C520 H472 B8 Cl8 F192 Ir8 N16 O8 Si8 -","8","1","","Mahato, Sanjit K.; Chatani, Naoto","The Iridium(III)-Catalyzed Direct C(sp2)‒ and C(sp3)‒H Alkynylation of 2-Acylimidazoles with Various Alkynyl Bromides: Understanding the Full Catalytic Cycle","ACS Catalysis","2020","10","9","5173","5178","10.1021/acscatal.0c01189","","","1.54184","CuKα","","0.0443","0.0428","","","0.1168","0.118","","","","","","1.036","","","","has coordinates","257008","2020-10-21","18:00:00",""
"4517575","20.6873","0.0011","7.8511","0.0004","26.1279","0.0012","90","","98.161","0.004","90","","4200.7","0.4","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 Cl Ir N2 O -","- C23 H10 Cl Ir N2 O -","- C184 H80 Cl8 Ir8 N16 O8 -","8","2","","Mahato, Sanjit K.; Chatani, Naoto","The Iridium(III)-Catalyzed Direct C(sp2)‒ and C(sp3)‒H Alkynylation of 2-Acylimidazoles with Various Alkynyl Bromides: Understanding the Full Catalytic Cycle","ACS Catalysis","2020","10","9","5173","5178","10.1021/acscatal.0c01189","","","1.54184","CuKα","","0.1088","0.1024","","","0.2379","0.2412","","","","","","1.094","","","","has coordinates","257008","2020-10-21","18:00:00",""
"4517576","7.4602","0.0008","7.7802","0.0009","14.1269","0.0015","92.011","0.004","102.586","0.004","97.486","0.004","791.72","0.15","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 N2 O5 -","- C18 H14 N2 O5 -","- C36 H28 N4 O10 -","2","1","","Jeong, Jinseong; Heo, Joon; Kim, Dongwook; Chang, Sukbok","NHC-Catalyzed 1,2-Selective Hydroboration of Quinolines","ACS Catalysis","2020","10","9","5023","5029","10.1021/acscatal.0c00884","","","0.71073","MoKα","","0.0772","0.0546","","","0.1148","0.1262","","","","","","1.03","","","","has coordinates","257009","2020-10-21","18:00:00",""
"4517577","11.9493","0.0017","6.9494","0.0009","17.493","0.003","90","","104.384","0.005","90","","1407.1","0.4","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 Br Cl3 N O2 -","- C12 H9 Br Cl3 N O2 -","- C48 H36 Br4 Cl12 N4 O8 -","4","1","","Jeong, Jinseong; Heo, Joon; Kim, Dongwook; Chang, Sukbok","NHC-Catalyzed 1,2-Selective Hydroboration of Quinolines","ACS Catalysis","2020","10","9","5023","5029","10.1021/acscatal.0c00884","","","0.71073","MoKα","","0.0558","0.0449","","","0.1141","0.1258","","","","","","1.039","","","","has coordinates","257009","2020-10-21","18:00:00",""
"4517578","7.5628","0.0017","16.969","0.004","11.191","0.002","90","","105.563","0.0019","90","","1383.5","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C68 H56 N8 O12 -","4","1","","Jeong, Jinseong; Heo, Joon; Kim, Dongwook; Chang, Sukbok","NHC-Catalyzed 1,2-Selective Hydroboration of Quinolines","ACS Catalysis","2020","10","9","5023","5029","10.1021/acscatal.0c00884","","","0.71073","MoKα","","0.047","0.0382","","","0.0928","0.1","","","","","","1.041","","","","has coordinates","257009","2020-10-21","18:00:00",""
"4517579","7.4538","0.0003","16.3766","0.0007","12.0863","0.0005","90","","106.556","0.002","90","","1414.18","0.1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Cl N2 O3 -","- C16 H11 Cl N2 O3 -","- C64 H44 Cl4 N8 O12 -","4","1","","Jeong, Jinseong; Heo, Joon; Kim, Dongwook; Chang, Sukbok","NHC-Catalyzed 1,2-Selective Hydroboration of Quinolines","ACS Catalysis","2020","10","9","5023","5029","10.1021/acscatal.0c00884","","","0.71073","MoKα","","0.054","0.0397","","","0.0943","0.1036","","","","","","1.028","","","","has coordinates","257009","2020-10-21","18:00:00",""
"4517598","7.7639","0.0011","9.7745","0.0015","16.044","0.003","90.123","0.007","96.248","0.006","112.826","0.006","1114.2","0.3","296","2","296","2","","","","","","","","5","P 1","P 1","1","1375_diff_tol","","","- C23 H28 N2 O2 S -","- C23 H28 N2 O2 S -","- C46 H56 N4 O4 S2 -","2","2","","Rigotti, Thomas; Mas-Ballesté, Rubén; Alemán, José","Enantioselective Aminocatalytic [2 + 2] Cycloaddition through Visible Light Excitation","ACS Catalysis","2020","10","9","5335","5346","10.1021/acscatal.0c01413","","","0.71073","MoKα","","0.1243","0.0517","","","0.1085","0.143","","","","","","1.017","","","","has coordinates","257011","2020-10-21","18:00:00",""
"4517639","13.5688","0.0014","11.1801","0.001","11.1208","0.001","90","","90","","90","","1687","0.3","293","2","293","2","","","","","","","","2","P 21 21 2","P 2 2ab","18","","","","- C20 H32 -","- C20 H32 -","- C80 H128 -","4","1","","Li, Zhong; Jiang, Yuanyuan; Zhang, Xingwang; Chang, Yimin; Li, Shuai; Zhang, Xiaomin; Zheng, Shanmin; Geng, Ce; Men, Ping; Ma, Li; Yang, Ying; Gao, Zhengquan; Tang, Ya-Jie; Li, Shengying","Fragrant Venezuelaenes A and B with A 5‒5‒6‒7 Tetracyclic Skeleton: Discovery, Biosynthesis, and Mechanisms of Central Catalysts","ACS Catalysis","2020","10","10","5846","5851","10.1021/acscatal.0c01575","","","1.54184","CuKα","","0.0756","0.053","","","0.1274","0.1488","","","","","","1.026","","","","has coordinates","256989","2020-10-21","18:00:00",""
"4517770","9.9422","0.0008","6.0314","0.0005","15.453","0.0012","90","","103.236","0.002","90","","902.03","0.13","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H18 B2 F6 K2 O4 -","- C12 H18 B2 F6 K2 O4 -","- C24 H36 B4 F12 K4 O8 -","2","1","","Wittmann, Bruce J.; Knight, Anders M.; Hofstra, Julie L.; Reisman, Sarah E.; Jennifer Kan, S. B.; Arnold, Frances H.","Diversity-Oriented Enzymatic Synthesis of Cyclopropane Building Blocks","ACS Catalysis","2020","10","13","7112","7116","10.1021/acscatal.0c01888","","","0.71073","MoKα","","0.0225","0.0215","","","0.056","0.0565","","","","","","1.054","","","","has coordinates","257001","2020-10-21","18:00:00",""
"4517772","8.389","0.003","9.214","0.002","9.659","0.003","102.796","0.014","99.295","0.016","100.694","0.01","699.2","0.4","170","2","170","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H42 Cl4 Ir2 -","- C26 H42 Cl4 Ir2 -","- C26 H42 Cl4 Ir2 -","1","0.5","","Liu, Lei; Song, Hong; Liu, Yan-Hua; Wu, Le-Song; Shi, Bing-Feng","Achiral CpxIr(III)/Chiral Carboxylic Acid Catalyzed Enantioselective C‒H Amidation of Ferrocenes under Mild Conditions","ACS Catalysis","2020","10","13","7117","7122","10.1021/acscatal.0c02049","","","0.71073","MoKα","","0.0222","0.0214","","","0.0497","0.0502","","","","","","1.057","","","","has coordinates","257004","2020-10-21","18:00:00",""
"4517773","10.5631","0.0003","10.5631","0.0003","34.9612","0.0011","90","","90","","90","","3900.9","0.2","170","2","170","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C20 H18 Br2 Fe N2 O2 -","- C20 H18 Br2 Fe N2 O2 -","- C160 H144 Br16 Fe8 N16 O16 -","8","1","","Liu, Lei; Song, Hong; Liu, Yan-Hua; Wu, Le-Song; Shi, Bing-Feng","Achiral CpxIr(III)/Chiral Carboxylic Acid Catalyzed Enantioselective C‒H Amidation of Ferrocenes under Mild Conditions","ACS Catalysis","2020","10","13","7117","7122","10.1021/acscatal.0c02049","","","0.71073","MoKα","","0.0458","0.038","","","0.0797","0.083","","","","","","1.031","","","","has coordinates","257004","2020-10-21","18:00:00",""
"4517774","5.2215","0.0013","7.9597","0.0019","23.385","0.006","87.72","0.008","86.471","0.008","89.947","0.007","969.3","0.4","100","2","100","","","","","","","","","6","P 1","P 1","1","","","","- C21 H17 Br2 N O2 S -","- C21 H17 Br2 N O2 S -","- C42 H34 Br4 N2 O4 S2 -","2","2","","Liu, Wentan; Yang, Wu; Zhu, Jiefeng; Guo, Yonghong; Wang, Na; Ke, Jie; Yu, Peiyuan; He, Chuan","Dual-Ligand-Enabled Ir(III)-Catalyzed Enantioselective C‒H Amidation for the Synthesis of Chiral Sulfoxides","ACS Catalysis","2020","10","13","7207","7215","10.1021/acscatal.0c02109","","","0.71073","MoKα","","0.1","0.0875","","","0.2155","0.228","","","","","","1.032","","","","has coordinates","257002","2020-10-21","18:00:00",""
"4517775","12.4627","0.0009","18.1472","0.0012","12.9349","0.0009","90","","93.987","0.003","90","","2918.3","0.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Cl4 Ir2 -","- C26 H42 Cl4 Ir2 -","- C104 H168 Cl16 Ir8 -","4","1","","Liu, Wentan; Yang, Wu; Zhu, Jiefeng; Guo, Yonghong; Wang, Na; Ke, Jie; Yu, Peiyuan; He, Chuan","Dual-Ligand-Enabled Ir(III)-Catalyzed Enantioselective C‒H Amidation for the Synthesis of Chiral Sulfoxides","ACS Catalysis","2020","10","13","7207","7215","10.1021/acscatal.0c02109","","x-ray","0.71073","MoKα","","0.1176","0.1097","","","0.2322","0.2356","","","","","","1.28","","","","has coordinates,has disorder","257002","2020-10-21","18:00:00",""
"4517776","5.5584","0.0014","14.559","0.004","27.412","0.007","90","","90","","90","","2218.3","1","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 F6 N O4 S -","- C23 H17 F6 N O4 S -","- C92 H68 F24 N4 O16 S4 -","4","1","","Liu, Wentan; Yang, Wu; Zhu, Jiefeng; Guo, Yonghong; Wang, Na; Ke, Jie; Yu, Peiyuan; He, Chuan","Dual-Ligand-Enabled Ir(III)-Catalyzed Enantioselective C‒H Amidation for the Synthesis of Chiral Sulfoxides","ACS Catalysis","2020","10","13","7207","7215","10.1021/acscatal.0c02109","","x-ray","0.71073","MoKα","","0.0784","0.0663","","","0.1691","0.18","","","","","","1.047","","","","has coordinates,has disorder","257002","2020-10-21","18:00:00",""
"4517777","10.993","0.0005","14.5354","0.0007","12.7588","0.0007","90","","94.905","0.002","90","","2031.23","0.17","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 Ir O S -","- C24 H27 Ir O S -","- C96 H108 Ir4 O4 S4 -","4","1","","Liu, Wentan; Yang, Wu; Zhu, Jiefeng; Guo, Yonghong; Wang, Na; Ke, Jie; Yu, Peiyuan; He, Chuan","Dual-Ligand-Enabled Ir(III)-Catalyzed Enantioselective C‒H Amidation for the Synthesis of Chiral Sulfoxides","ACS Catalysis","2020","10","13","7207","7215","10.1021/acscatal.0c02109","","x-ray","0.71073","MoKα","","0.0426","0.0388","","","0.1051","0.1077","","","","","","1.059","","","","has coordinates","257002","2020-10-21","18:00:00",""
"4517778","8.3494","0.0005","9.1549","0.0006","9.6175","0.0006","102.865","0.002","98.989","0.002","100.722","0.002","689.02","0.08","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H42 Cl4 Ir2 -","- C26 H42 Cl4 Ir2 -","- C26 H42 Cl4 Ir2 -","1","0.5","","Liu, Wentan; Yang, Wu; Zhu, Jiefeng; Guo, Yonghong; Wang, Na; Ke, Jie; Yu, Peiyuan; He, Chuan","Dual-Ligand-Enabled Ir(III)-Catalyzed Enantioselective C‒H Amidation for the Synthesis of Chiral Sulfoxides","ACS Catalysis","2020","10","13","7207","7215","10.1021/acscatal.0c02109","","x-ray","0.71073","MoKα","","0.0323","0.0313","","","0.086","0.0867","","","","","","1.095","","","","has coordinates","257002","2020-10-21","18:00:00",""
"4517779","10.548","0.003","11.96","0.003","13.948","0.003","94.54","0.005","111.21","0.004","115.903","0.004","1415.3","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H29 N2 O3 -","- C29 H28 N2 O3 -","- C58 H56 N4 O6 -","2","1","","Guo, Tao; Ding, Yalan; Zhou, Lili; Xu, Haiyan; Loh, Teck-Peng; Wu, Xiaojin","Palladium-Catalyzed anti-Michael Reductive Heck Reaction of α,β-Unsaturated Esters","ACS Catalysis","2020","10","13","7262","7268","10.1021/acscatal.0c02414","","","0.71073","MoKα","","0.2061","0.1036","","","0.2003","0.2382","","","","","","1.161","","","","has coordinates","257000","2020-10-21","18:00:00",""
"4517796","12.6221","0.0006","20.3106","0.001","22.3941","0.001","90","","90","","90","","5741","0.5","100","2","100","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C51 H51 F9 N5 O9 P3 Ru S3 -","- C51 H51 F9 N5 O9 P3 Ru S3 -","- C204 H204 F36 N20 O36 P12 Ru4 S12 -","4","1","","Erickson, Jeremy D.; Preston, Andrew Z.; Linehan, John C.; Wiedner, Eric S.","Enhanced Hydrogenation of Carbon Dioxide to Methanol by a Ruthenium Complex with a Charged Outer-Coordination Sphere","ACS Catalysis","2020","10","13","7419","7423","10.1021/acscatal.0c02268","","","0.71073","MoKα","","0.0407","0.0376","","","0.0931","0.095","","","","","","1.074","","","","has coordinates,has disorder","257003","2020-10-21","18:00:00",""
"4518051","9.8601","0.0003","5.6544","0.0002","44.1243","0.0015","90","","90","","90","","2460.06","0.14","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H21 N O3 -","- C11 H21 N O3 -","- C88 H168 N8 O24 -","8","2","","Wollenburg, Marco; Heusler, Arne; Bergander, Klaus; Glorius, Frank","trans-Selective and Switchable Arene Hydrogenation of Phenol Derivatives","ACS Catalysis","2020","10","19","11365","11370","10.1021/acscatal.0c03423","","","1.54178","CuKα","","0.0624","0.0572","","","0.1283","0.1308","","","","","","1.094","","","","has coordinates","256999","2020-10-21","18:00:00",""
"4518052","9.2362","0.0003","10.9879","0.0003","23.7378","0.0007","90","","90","","90","","2409.06","0.12","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H21 N O3 -","- C11 H21 N O3 -","- C88 H168 N8 O24 -","8","1","","Wollenburg, Marco; Heusler, Arne; Bergander, Klaus; Glorius, Frank","trans-Selective and Switchable Arene Hydrogenation of Phenol Derivatives","ACS Catalysis","2020","10","19","11365","11370","10.1021/acscatal.0c03423","","","1.54178","CuKα","","0.0744","0.059","","","0.1449","0.1549","","","","","","1.071","","","","has coordinates","256999","2020-10-21","18:00:00",""
"4518053","14.6389","0.0003","5.303","0.0001","13.1361","0.0003","90","","106.994","0.001","90","","975.23","0.04","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O -","- C12 H16 O -","- C48 H64 O4 -","4","1","","Wollenburg, Marco; Heusler, Arne; Bergander, Klaus; Glorius, Frank","trans-Selective and Switchable Arene Hydrogenation of Phenol Derivatives","ACS Catalysis","2020","10","19","11365","11370","10.1021/acscatal.0c03423","","","1.54178","CuKα","","0.0385","0.0341","","","0.0837","0.0867","","","","","","1.049","","","","has coordinates","256999","2020-10-21","18:00:00",""
"4518054","9.1475","0.0002","19.6782","0.0005","7.9541","0.0002","90","","92.11","0.001","90","","1430.82","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H28 O2 -","- C15 H28 O2 -","- C60 H112 O8 -","4","1","","Wollenburg, Marco; Heusler, Arne; Bergander, Klaus; Glorius, Frank","trans-Selective and Switchable Arene Hydrogenation of Phenol Derivatives","ACS Catalysis","2020","10","19","11365","11370","10.1021/acscatal.0c03423","","","1.54178","CuKα","","0.0791","0.0729","","","0.1931","0.2031","","","","","","1.122","","","","has coordinates","256999","2020-10-21","18:00:00",""
"4518056","13.1697","0.0001","8.5458","0.0001","33.8861","0.0003","90","","90","","90","","3813.73","0.06","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H24 O5 S2 -","- C20 H24 O5 S2 -","- C160 H192 O40 S16 -","8","1","","Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V.","Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition","ACS Catalysis","2020","10","19","11448","11457","10.1021/acscatal.0c03440","","x-ray","1.54184","CuKα","","0.0338","0.0307","","","0.0749","0.0767","","","","","","1.058","","","","has coordinates","256998","2020-10-21","18:00:00",""
"4518057","27.5054","0.0002","7.159","0.0001","28.9864","0.0002","90","","91.009","0.001","90","","5706.86","0.1","100","0.1","100","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C128 H210 O13 -","- C128 H210 O13 -","- C256 H420 O26 -","2","0.5","","Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V.","Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition","ACS Catalysis","2020","10","19","11448","11457","10.1021/acscatal.0c03440","","x-ray","1.54184","CuKα","","0.0354","0.0343","","","0.0922","0.0931","","","","","","1.036","","","","has coordinates,has disorder","256998","2020-10-21","18:00:00",""
"4518058","6.46515","0.00012","7.56208","0.00015","26.4823","0.0006","90","","93.8866","0.0018","90","","1291.74","0.05","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","1","","Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V.","Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition","ACS Catalysis","2020","10","19","11448","11457","10.1021/acscatal.0c03440","","x-ray","1.54184","CuKα","","0.0438","0.0392","","","0.0938","0.0963","","","","","","1.064","","","","has coordinates","256998","2020-10-21","18:00:00",""
"4518059","13.4325","0.0004","9.9472","0.0003","15.5089","0.0005","90","","101.16","0.003","90","","2033.05","0.11","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 B N O4 -","- C20 H30 B N O4 -","- C80 H120 B4 N4 O16 -","4","1","","Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V.","Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition","ACS Catalysis","2020","10","19","11448","11457","10.1021/acscatal.0c03440","","x-ray","0.71073","MoKα","","0.069","0.0578","","","0.1043","0.1092","","","","","","1.057","","","","has coordinates","256998","2020-10-21","18:00:00",""
"4518060","11.66361","0.00012","15.02503","0.00019","11.25687","0.00012","90","","97.1362","0.001","90","","1957.44","0.04","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 F2 O4 S2 -","- C20 H22 F2 O4 S2 -","- C80 H88 F8 O16 S8 -","4","1","","Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V.","Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition","ACS Catalysis","2020","10","19","11448","11457","10.1021/acscatal.0c03440","","x-ray","1.54184","CuKα","","0.0333","0.0311","","","0.0787","0.0803","","","","","","1.08","","","","has coordinates","256998","2020-10-21","18:00:00",""
"4518061","14.75517","0.0001","11.9167","0.00008","18.31913","0.00011","90","","93.7103","0.0006","90","","3214.35","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H56 O3 S -","- C37 H56 O3 S -","- C148 H224 O12 S4 -","4","2","","Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V.","Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition","ACS Catalysis","2020","10","19","11448","11457","10.1021/acscatal.0c03440","","x-ray","1.54184","CuKα","","0.0338","0.0323","","","0.0849","0.0859","","","","","","1.05","","","","has coordinates","256998","2020-10-21","18:00:00",""
"4518062","23.988","0.0003","6.72515","0.00007","18.4587","0.0002","90","","109.443","0.0012","90","","2808","0.06","100","0.1","100","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 O2 -","- C16 H26 O2 -","- C128 H208 O16 -","8","1","","Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V.","Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition","ACS Catalysis","2020","10","19","11448","11457","10.1021/acscatal.0c03440","","x-ray","1.54184","CuKα","","0.0371","0.0345","","","0.0864","0.0883","","","","","","1.058","","","","has coordinates","256998","2020-10-21","18:00:00",""
"4518064","14.8299","0.0005","7.4261","0.0003","11.4598","0.0004","90","","109.078","0.0009","90","","1192.73","0.08","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 O5 -","- C14 H12 O5 -","- C56 H48 O20 -","4","1","","Karlinskii, Bogdan Ya.; Kostyukovich, Alexander Yu.; Kucherov, Fedor A.; Galkin, Konstantin I.; Kozlov, Kirill S.; Ananikov, Valentine P.","Directing-Group-Free, Carbonyl Group-Promoted Catalytic C‒H Arylation of Bio-Based Furans","ACS Catalysis","2020","10","19","11466","11480","10.1021/acscatal.0c02143","","","0.71073","MoKα","","0.0611","0.0427","","","0.1086","0.1212","","","","","","1.042","","","","has coordinates","256997","2020-10-21","18:00:00",""
"4518065","12.3333","0.0004","11.1772","0.0004","19.7023","0.0006","90","","101.316","0.001","90","","2663.2","0.15","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 O3 -","- C18 H12 O3 -","- C144 H96 O24 -","8","1","","Karlinskii, Bogdan Ya.; Kostyukovich, Alexander Yu.; Kucherov, Fedor A.; Galkin, Konstantin I.; Kozlov, Kirill S.; Ananikov, Valentine P.","Directing-Group-Free, Carbonyl Group-Promoted Catalytic C‒H Arylation of Bio-Based Furans","ACS Catalysis","2020","10","19","11466","11480","10.1021/acscatal.0c02143","","","0.71073","MoKα","","0.0802","0.0501","","","0.1143","0.1334","","","","","","1.017","","","","has coordinates","256997","2020-10-21","18:00:00",""
"4518066","11.0065","0.0003","13.6364","0.0003","7.4223","0.0002","90","","101.195","0.001","90","","1092.81","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 F3 O3 -","- C13 H7 F3 O3 -","- C52 H28 F12 O12 -","4","1","","Karlinskii, Bogdan Ya.; Kostyukovich, Alexander Yu.; Kucherov, Fedor A.; Galkin, Konstantin I.; Kozlov, Kirill S.; Ananikov, Valentine P.","Directing-Group-Free, Carbonyl Group-Promoted Catalytic C‒H Arylation of Bio-Based Furans","ACS Catalysis","2020","10","19","11466","11480","10.1021/acscatal.0c02143","","","0.71073","MoKα","","0.0647","0.0461","","","0.1334","0.1489","","","","","","1.042","","","","has coordinates","256997","2020-10-21","18:00:00",""
"4518119","15.4262","0.0003","17.0323","0.0003","19.6403","0.0004","90","","111.781","0.003","90","","4791.96","0.19","123","2","123","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C47 H51 Al Cl4 N5 O4 P2 Rh -","- C47 H51 Al Cl4 N5 O4 P2 Rh -","- C188 H204 Al4 Cl16 N20 O16 P8 Rh4 -","4","1","","Takaya, Jun; Ogawa, Koki; Nakaya, Ryota; Iwasawa, Nobuharu","Rhodium-Catalyzed Chemoselective Hydrosilylation of Nitriles to an Imine Oxidation Level Enabled by a Pincer-type Group 13 Metallylene Ligand","ACS Catalysis","2020","10","20","12223","12228","10.1021/acscatal.0c02779","","","0.71073","MoKα","","0.0667","0.0494","","","0.1201","0.1278","","","","","","1.107","","","","has coordinates","258696","2020-11-04","01:15:24",""
"4518120","16.4861","0.0002","17.1218","0.0002","18.1159","0.0002","102.604","0.001","96.8135","0.001","92.8749","0.0009","4939.85","0.1","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H68 Cl14 Ga4 N8 P4 Rh2 -","- C88 H68 Cl14 Ga4 N8 P4 Rh2 -","- C176 H136 Cl28 Ga8 N16 P8 Rh4 -","2","1","","Takaya, Jun; Ogawa, Koki; Nakaya, Ryota; Iwasawa, Nobuharu","Rhodium-Catalyzed Chemoselective Hydrosilylation of Nitriles to an Imine Oxidation Level Enabled by a Pincer-type Group 13 Metallylene Ligand","ACS Catalysis","2020","10","20","12223","12228","10.1021/acscatal.0c02779","","","0.71073","MoKα","","0.109","0.0988","","","0.2187","0.2224","","","","","","1.231","","","","has coordinates,has disorder","258696","2020-11-04","01:15:24",""
"4518121","12.4389","0.0001","13.5826","0.0003","15.0995","0.0003","83.4699","0.0017","80.9723","0.0015","86.2699","0.0013","2500.25","0.08","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C47 H45 Cl7 In2 N3 O2 P2 Rh -","- C47 H45 Cl7 In2 N3 O2 P2 Rh -","- C94 H90 Cl14 In4 N6 O4 P4 Rh2 -","2","1","","Takaya, Jun; Ogawa, Koki; Nakaya, Ryota; Iwasawa, Nobuharu","Rhodium-Catalyzed Chemoselective Hydrosilylation of Nitriles to an Imine Oxidation Level Enabled by a Pincer-type Group 13 Metallylene Ligand","ACS Catalysis","2020","10","20","12223","12228","10.1021/acscatal.0c02779","","","1.54184","CuKα","","0.0285","0.0255","","","0.0612","0.0624","","","","","","1.079","","","","has coordinates,has disorder","258696","2020-11-04","01:15:24",""
"4518122","37.4179","0.0001","14.6854","0.0001","22.6886","0.0001","90","","90.5378","0.0003","90","","12466.8","0.11","123","2","123","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C126 H110 Cl12 Ga4 N6 O3 P6 Rh2 -","- C126 H110 Cl12 Ga4 N6 O3 P6 Rh2 -","- C504 H440 Cl48 Ga16 N24 O12 P24 Rh8 -","4","0.5","","Takaya, Jun; Ogawa, Koki; Nakaya, Ryota; Iwasawa, Nobuharu","Rhodium-Catalyzed Chemoselective Hydrosilylation of Nitriles to an Imine Oxidation Level Enabled by a Pincer-type Group 13 Metallylene Ligand","ACS Catalysis","2020","10","20","12223","12228","10.1021/acscatal.0c02779","","","1.54184","CuKα","","0.0334","0.0324","","","0.0893","0.09","","","","","","1.065","","","","has coordinates,has disorder","258696","2020-11-04","01:15:24",""
"4518195","11.3768","0.0002","13.3425","0.0002","24.5874","0.0005","90","","90","","90","","3732.24","0.11","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 Br N2 O3 -","- C20 H19 Br N2 O3 -","- C160 H152 Br8 N16 O24 -","8","2","","Harada, Shingo; Kobayashi, Mayu; Kono, Masato; Nemoto, Tetsuhiro","Site-Selective and Chemoselective C‒H Functionalization for the Synthesis of Spiroaminals via a Silver-Catalyzed Nitrene Transfer Reaction","ACS Catalysis","2020","10","22","13296","13304","10.1021/acscatal.0c04057","","","1.54187","CuKα","","0.0673","0.0462","","","0.0758","0.0817","","","","","","1.023","","","","has coordinates","259501","2020-12-04","02:11:54",""
"4518198","14.0181","0.0011","8.46","0.0007","16.4369","0.0013","90","","102.753","0.001","90","","1901.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 I N2 Rh -","- C20 H24 I N2 Rh -","- C80 H96 I4 N8 Rh4 -","4","1","","Sánchez-Page, Beatriz; Munarriz, Julen; Jiménez, M. Victoria; Pérez-Torrente, Jesús J.; Blasco, Javier; Subias, Gloria; Passarelli, Vincenzo; Álvarez, Patricia","β-(Z) Selectivity Control by Cyclometalated Rhodium(III)‒Triazolylidene Homogeneous and Heterogeneous Terminal Alkyne Hydrosilylation Catalysts","ACS Catalysis","2020","10","22","13334","13351","10.1021/acscatal.0c03295","","","0.71073","MoKα","","0.0397","0.0251","","","0.0483","0.0522","","","","","","1.018","","","","has coordinates","259502","2020-12-04","02:12:03",""
"4518199","17.652","0.0018","12.0217","0.0012","14.0368","0.0014","90","","113.194","0.001","90","","2738","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Cl3 I N3 Rh -","- C26 H28 Cl3 I N3 Rh -","- C104 H112 Cl12 I4 N12 Rh4 -","4","1","","Sánchez-Page, Beatriz; Munarriz, Julen; Jiménez, M. Victoria; Pérez-Torrente, Jesús J.; Blasco, Javier; Subias, Gloria; Passarelli, Vincenzo; Álvarez, Patricia","β-(Z) Selectivity Control by Cyclometalated Rhodium(III)‒Triazolylidene Homogeneous and Heterogeneous Terminal Alkyne Hydrosilylation Catalysts","ACS Catalysis","2020","10","22","13334","13351","10.1021/acscatal.0c03295","","","0.71073","MoKα","","0.0887","0.0554","","","0.101","0.111","","","","","","1.065","","","","has coordinates","259502","2020-12-04","02:12:03",""
"4518200","12.9396","0.0011","12.9396","0.0011","35.996","0.004","90","","90","","90","","6026.9","1","125","2","125","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","Ti(NtBu)ind2py2","","","- C30 H31 N5 Ti -","- C30 H31 N5 Ti -","- C240 H248 N40 Ti8 -","8","1","","See, Xin Yi; Wen, Xuelan; Wheeler, T. Alexander; Klein, Channing K.; Goodpaster, Jason D.; Reiner, Benjamin R.; Tonks, Ian A.","Iterative Supervised Principal Component Analysis Driven Ligand Design for Regioselective Ti-Catalyzed Pyrrole Synthesis","ACS Catalysis","2020","10","22","13504","13517","10.1021/acscatal.0c03939","","","0.71073","MoKα","","0.0266","0.0237","","","0.0599","0.0617","","","","","","1.071","","","","has coordinates","259500","2020-12-04","02:11:41",""
"4518201","9.4737","0.0004","36.2928","0.0016","19.9562","0.001","90","","95.112","0.002","90","","6834.2","0.5","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Ti(NtBu)carb2py2","","","- C82.52 H77.04 N10 Ti2 -","- C82.522 H77.044 N10 Ti2 -","- C330.088 H308.176 N40 Ti8 -","4","1","","See, Xin Yi; Wen, Xuelan; Wheeler, T. Alexander; Klein, Channing K.; Goodpaster, Jason D.; Reiner, Benjamin R.; Tonks, Ian A.","Iterative Supervised Principal Component Analysis Driven Ligand Design for Regioselective Ti-Catalyzed Pyrrole Synthesis","ACS Catalysis","2020","10","22","13504","13517","10.1021/acscatal.0c03939","","","0.71073","MoKα","","0.0698","0.0503","","","0.1068","0.1152","","","","","","1.065","","","","has coordinates,has disorder","259500","2020-12-04","02:11:41",""
"4518202","24.117","0.003","15.0952","0.0014","20.943","0.002","90","","114.01","0.004","90","","6964.6","1.3","125","2","125","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Ti(NtBu)(O^P)3Ti(NtBu)Cl","","","- C80 H78 Cl N2 O3 P3 Ti2 -","- C80 H78 Cl N2 O3 P3 Ti2 -","- C320 H312 Cl4 N8 O12 P12 Ti8 -","4","1","","See, Xin Yi; Wen, Xuelan; Wheeler, T. Alexander; Klein, Channing K.; Goodpaster, Jason D.; Reiner, Benjamin R.; Tonks, Ian A.","Iterative Supervised Principal Component Analysis Driven Ligand Design for Regioselective Ti-Catalyzed Pyrrole Synthesis","ACS Catalysis","2020","10","22","13504","13517","10.1021/acscatal.0c03939","","","0.71073","MoKα","","0.0911","0.0747","","","0.1468","0.1525","","","","","","1.227","","","","has coordinates,has disorder","259500","2020-12-04","02:11:41",""
"4518203","9.8644","0.0009","12.5071","0.0011","12.5128","0.001","116.587","0.002","93.947","0.003","112.994","0.003","1213.89","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Ti(NTol)Cl2bipy*","","","- C50 H62 Cl4 N6 Ti2 -","- C50 H62 Cl4 N6 Ti2 -","- C50 H62 Cl4 N6 Ti2 -","1","0.5","","See, Xin Yi; Wen, Xuelan; Wheeler, T. Alexander; Klein, Channing K.; Goodpaster, Jason D.; Reiner, Benjamin R.; Tonks, Ian A.","Iterative Supervised Principal Component Analysis Driven Ligand Design for Regioselective Ti-Catalyzed Pyrrole Synthesis","ACS Catalysis","2020","10","22","13504","13517","10.1021/acscatal.0c03939","","","0.71073","MoKα","","0.0793","0.0506","","","0.1208","0.139","","","","","","1.058","","","","has coordinates,has disorder","259500","2020-12-04","02:11:41",""
"4518214","11.7514","0.0004","13.3298","0.0005","9.6736","0.0003","90","","95.87","0.004","90","","1507.36","0.09","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H13 Cl2 N S -","- C16 H13 Cl2 N S -","- C64 H52 Cl8 N4 S4 -","4","1","","Su, Yong-Liang; Tram, Linh; Wherritt, Daniel; Arman, Hadi; Griffith, Wendell P.; Doyle, Michael P.","α-Amino Radical-Mediated Diverse Difunctionalization of Alkenes: Construction of C‒C, C‒N, and C‒S Bonds","ACS Catalysis","2020","10","22","13682","13687","10.1021/acscatal.0c04243","","x-ray","1.54184","CuKα","","0.044","0.0433","","","0.1113","0.1118","","","","","","1.092","","","","has coordinates","259503","2020-12-04","02:12:11",""
"4518215","7.9208","0.0001","5.9641","0.0001","13.9611","0.0002","90","","95.677","0.002","90","","656.294","0.017","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H11 Cl2 N S -","- C14 H11 Cl2 N S -","- C28 H22 Cl4 N2 S2 -","2","1","","Su, Yong-Liang; Tram, Linh; Wherritt, Daniel; Arman, Hadi; Griffith, Wendell P.; Doyle, Michael P.","α-Amino Radical-Mediated Diverse Difunctionalization of Alkenes: Construction of C‒C, C‒N, and C‒S Bonds","ACS Catalysis","2020","10","22","13682","13687","10.1021/acscatal.0c04243","","x-ray","1.54184","CuKα","","0.028","0.0263","","","0.0635","0.0642","","","","","","1.054","","","","has coordinates","259503","2020-12-04","02:12:11",""
"4518216","12.1646","0.0017","21.938","0.002","16.962","0.002","90","","102.835","0.004","90","","4413.5","0.9","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C81 H90 Br5 N13 Ni4 O3 -","- C81 H90 Br5 N13 Ni4 O3 -","- C162 H180 Br10 N26 Ni8 O6 -","2","1","","Long, Cheng-Yu; Ni, Shao-Fei; Su, Min-Hui; Wang, Xue-Qiang; Tan, Weihong","Highly Chemoselective Access to 2,2′-Diaminobiaryls via Ni-Catalyzed Protecting-Group-Free Coupling of 2-Haloanilines","ACS Catalysis","2020","10","22","13641","13649","10.1021/acscatal.0c03428","","","0.71073","MoKα","","0.0756","0.0511","","","0.1247","0.1352","","","","","","0.992","","","","has coordinates","259504","2020-12-04","02:12:20",""
"4519426","8.6432","0.0004","11.0448","0.0005","11.1069","0.0004","62.407","0.004","72.632","0.004","84.054","0.004","896.1","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H15 N O4 -","- C25 H15 N O4 -","- C50 H30 N2 O8 -","2","1","","Cai, Chen; Lu, Yi; Yuan, Chengcheng; Fang, Zheng; Yang, Xiaobing; Liu, Chengkou; Guo, Kai","Metal-Free C–C Cross Coupling: Electrosynthesis of Azaheterocycles through Anodic Oxidation Cyclization of 1,6-Enynes","ACS Sustainable Chemistry & Engineering","2022","10","10","3288","3294","10.1021/acssuschemeng.1c07933","","","1.54178","CuKα","","0.0437","0.0417","","","0.1292","0.132","","","","","","1.008","","","","has coordinates","274277","2022-04-03","21:04:16",""
"5000014","11.55","","9.02","","5.2","","90","","90","","90","","541.74","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H9 N O2 -","- C5 H9 N O2 -","- C20 H36 N4 O8 -","4","1","","Kayushina, R. L.; Vainshtein, B. K.","","Kristallografiya","1965","10","","833","844","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000072","13.375","0.005","5.793","0.002","7.914","0.003","90","","93.91","0.03","90","","611.76","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H14 O3 -","- C14 H14 O3 -","- C28 H28 O6 -","2","1","","Kim, Yang Bae; Song, Hyun June; Park, Il Yeong","Refinement of the structure of naproxen, (+)-6-methoxy-α-methyl-2-naphthaleneacetic acid","Archives of Pharmacal Research","1987","10","4","232","238","10.1007/BF02857746","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000177","6.1664","0.0001","8.8366","0.0003","11.5435","0.0004","90","","103.39","0.001","90","","611.91","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C24 H20 N4 O12 -","4","1","","Kulkarni, G. U.; Kumaradhas, P.; Rao, C. N. R.","Charge Density Study of the Polymorphs of p-Nitrophenol","Chemistry of Materials","1998","10","","3498","3505","10.1021/cm980277m","","","","","","","","","","","","","","","","","","","","","has coordinates","178248","2020-10-21","18:00:00",""
"5000190","5.33","","5.14","","11.25","","102.7","","135.17","","85.17","","210.816","","","","","","","","","","","","","3","P -1","-P 1","2","","Malonic acid","","- C3 H4 O4 -","- C3 O4 -","- C6 O8 -","2","1","","Goedkoop, J. A.; MacGillavry, C. H.","The crystal structure of malonic acid","Acta Crystallographica","1957","10","2","125","127","10.1107/S0365110X57000353","","","","","","","13.2","","","13.2","","","","","","","","","","","has coordinates","174775","2020-10-21","18:00:00",""
"5000209","8.5496","0.0006","8.5496","0.0006","12.091","0.0009","90","","90","","90","","883.8","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","Trimagnesium heptaborate chloride","Boracite","?","- B7 Cl Mg3 O13 -","- B28 Cl4 Mg12 O52 -","4","1","","Dowty, E; Clark, J R","","Solid State Communications","1972","10","","543","548","10.1016/0038-1098(72)90063-4","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"6000062","5.9888","","5.9916","","8.4667","","90","","90.026","","90","","303.81","","","","100","","","","","","","","","4","P 1 21/n 1","","","","","","- Ba2 Nd O6 Ru -","","","","","","Izumiyama, Y.; Doi, Y.; Wakeshima, M.; Hinatsu, Y.; Oikawa, K.; Shimojo, Y.; Morii, Y.","Magnetic and neutron diffraction studies of the ordered perovskite Ba2NdRuO6","Journal of Materials Chemistry","2000","10","","2364","2367","10.1039/b003629n","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000095","11.48","","11.48","","87.46","","90","","90","","120","","9982.15","","","","","","","","","","","","","4","R 3","","","","","","- H3 Mo12 O40 P -","","","","","","Marosi, L.; Platero, E. E.; Cifre, J.; Arean, C. O.","Thermal dehydration of H3+xPVxM12-xO40 center dot yH(2)O Keggin type heteropolyacids; formation, thermal stability and structure of the anhydrous acids H3PM12O40, of the corresponding anhydrides PM12O38.5 and of a novel trihydrate H3PW12O40 3H(2)O","Journal of Materials Chemistry","2000","10","","1949","1955","10.1039/b001476l","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000127","13.382","0.002","13.382","0.002","13.382","0.002","90","","90","","90","","2396.4","0.6","296","2","296","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- Al12 Ce10 N36 O18 Si18 Sr3 -","- Al12 Ce9.96 N36 O18 Si18 Sr3.04 -","- Al24 Ce19.92 N72 O36 Si36 Sr6.08 -","2","0.0416667","","Lauterbach, Rainer; Irran, Elisabeth; Henry, Paul F.; Weller, Mark T.; Schnick, Wolfgang","High-temperature synthesis, single-crystal X-ray and neutron powder diffraction, and materials properties of Sr3Ln10Si18Al12O18N36 (Ln = Ce, Pr, Nd)—novel sialons with an ordered distribution of Si, Al, O, and N","Journal of Materials Chemistry","2000","10","6","1357","1364","10.1039/a908844j","","","0.71073","MoKα","","0.0333","0.0298","","","0.0708","0.074","","","","","","1.116","","","","has coordinates","176428","2020-10-21","18:00:00",""
"6000128","13.3454","0.0006","13.3454","0.0006","13.3454","0.0006","90","","90","","90","","2376.81","0.19","293","2","293","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- Al12 N36 O18 Pr10 Si18 Sr3 -","- Al12 N36 O18 Pr9.96 Si18 Sr3.04 -","- Al24 N72 O36 Pr19.92 Si36 Sr6.08 -","2","0.0416667","","Lauterbach, Rainer; Irran, Elisabeth; Henry, Paul F.; Weller, Mark T.; Schnick, Wolfgang","High-temperature synthesis, single-crystal X-ray and neutron powder diffraction, and materials properties of Sr3Ln10Si18Al12O18N36 (Ln = Ce, Pr, Nd)—novel sialons with an ordered distribution of Si, Al, O, and N","Journal of Materials Chemistry","2000","10","6","1357","1364","10.1039/a908844j","","","0.71073","MoKα","","0.0296","0.0261","","","0.0627","0.0646","","","","","","1.093","","","","has coordinates","176428","2020-10-21","18:00:00",""
"6000129","13.3285","0.0006","13.3285","0.0006","13.3285","0.0006","90","","90","","90","","2367.79","0.18","293","2","293","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- Al12 N36 Nd10 O18 Si18 Sr3 -","- Al12 N36 Nd9.96 O18 Si18 Sr3.04 -","- Al24 N72 Nd19.92 O36 Si36 Sr6.08 -","2","0.0416667","","Lauterbach, Rainer; Irran, Elisabeth; Henry, Paul F.; Weller, Mark T.; Schnick, Wolfgang","High-temperature synthesis, single-crystal X-ray and neutron powder diffraction, and materials properties of Sr3Ln10Si18Al12O18N36 (Ln = Ce, Pr, Nd)—novel sialons with an ordered distribution of Si, Al, O, and N","Journal of Materials Chemistry","2000","10","6","1357","1364","10.1039/a908844j","","","0.71073","MoKα","","0.0271","0.0249","","","0.0494","0.0501","","","","","","1.117","","","","has coordinates","176428","2020-10-21","18:00:00",""
"6000394","9.526","","9.526","","3.048","","90","","90","","90","","276.59","","","","","","","","","","","","","3","P 4/m b m","","","","","","- B2 Ir5 Sc3 -","","","","","","Nagelschmitz, E. A.; Jung, W.","Scandium iridium boride Sc3Ir5B2 and the quaternary derivatives Sc2MIr5B2 with m = Be, Al, Si, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Ga, or Ge: Preparation, crystal structure, and physical properties","Chemistry of Materials","1998","10","","3189","3195","10.1021/cm9802898","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000395","9.27","","9.27","","2.968","","90","","90","","90","","255.05","","","","","","","","","","","","","4","P 4/m b m","","","","","","- B2 Be Ir5 Sc2 -","","","","","","Nagelschmitz, E. A.; Jung, W.","Scandium iridium boride Sc3Ir5B2 and the quaternary derivatives Sc2MIr5B2 with m = Be, Al, Si, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Ga, or Ge: Preparation, crystal structure, and physical properties","Chemistry of Materials","1998","10","","3189","3195","10.1021/cm9802898","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000396","9.329","","9.329","","3.103","","90","","90","","90","","270.05","","","","","","","","","","","","","4","P 4/m b m","","","","","","- B2 Ir5 Sc2 Ti -","","","","","","Nagelschmitz, E. A.; Jung, W.","Scandium iridium boride Sc3Ir5B2 and the quaternary derivatives Sc2MIr5B2 with m = Be, Al, Si, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Ga, or Ge: Preparation, crystal structure, and physical properties","Chemistry of Materials","1998","10","","3189","3195","10.1021/cm9802898","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000397","6.914","","6.914","","17.246","","90","","90","","90","","824.42","","","","","","","","","","","","","4","I 41/a m d","","","","","","- H5 Ho O10 S2 -","","","","","","Wickleder, M. S.","Synthesis, crystal structure, and thermal behavior of the rare earth sulfates (H5O2)M(SO4)(2) (M = Ho, Er, Y)","Chemistry of Materials","1998","10","","3212","3216","10.1021/cm980301w","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000398","6.8967","","6.8967","","17.166","","90","","90","","90","","816.49","","","","","","","","","","","","","4","I 41/a m d","","","","","","- Er H5 O10 S2 -","","","","","","Wickleder, M. S.","Synthesis, crystal structure, and thermal behavior of the rare earth sulfates (H5O2)M(SO4)(2) (M = Ho, Er, Y)","Chemistry of Materials","1998","10","","3212","3216","10.1021/cm980301w","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000399","6.8875","","6.8875","","17.159","","90","","90","","90","","813.98","","","","","","","","","","","","","4","I 41/a m d","","","","","","- H5 O10 S2 Y -","","","","","","Wickleder, M. S.","Synthesis, crystal structure, and thermal behavior of the rare earth sulfates (H5O2)M(SO4)(2) (M = Ho, Er, Y)","Chemistry of Materials","1998","10","","3212","3216","10.1021/cm980301w","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000410","5.9985","","7.0711","","7.414","","90","","90","","90","","314.47","","","","","","","","","","","","","3","P n n m","","","","","","- C4 Co N6 -","","","","","","Manson, J. L.; Kmety, C. R.; Huang, Q. Z.; Lynn, J. W.; Bendele, G. M.; Pagola, S.; Stephens, P. W.; Liable-Sands, L. M.; Rheingold, A. L.; Epstein, A. J.; Miller, J. S.","Structure and magnetic ordering of M-II[N(CN)(2)](2) (M = Co, Ni)","Chemistry of Materials","1998","10","","2552","2560","10.1021/cm980321y","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000411","5.9736","","7.032","","7.2942","","90","","90","","90","","306.4","","","","","","","","","","","","","3","P n n m","","","","","","- C4 N6 Ni -","","","","","","Manson, J. L.; Kmety, C. R.; Huang, Q. Z.; Lynn, J. W.; Bendele, G. M.; Pagola, S.; Stephens, P. W.; Liable-Sands, L. M.; Rheingold, A. L.; Epstein, A. J.; Miller, J. S.","Structure and magnetic ordering of M-II[N(CN)(2)](2) (M = Co, Ni)","Chemistry of Materials","1998","10","","2552","2560","10.1021/cm980321y","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000518","8.8107","","10.2258","","20.9082","","90","","90","","90","","1883.75","","","","","","","","","","","","","7","P 21 21 21","","","","","","- C5 H19 F3 Ga3 N3 O12 P3 -","","","","","","Paulet, C.; Loiseau, T.; Ferey, G.","Hydrothermal synthesis (in water-dimethylformamide) and crystal structure of MIL-30, a new layered fluorinated gallium phosphate with 1,3-diaminopropane and dimethylamine as templates","Journal of Materials Chemistry","2000","10","","1225","1229","10.1039/a909315j","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000610","11.037","","5.971","","19.703","","90","","101.46","","90","","1272.58","","","","","","","","","","","","","4","P 1 21/c 1","","","","","","- Bi Ca3 O22 Sr8 -","","","","","","Luhrs, C. C.; Molins, E.; Van, Tendeloo G; Beltran-Porter, D.; Fuertes, A.","Crystal structure of Bi6Sr8-xCa3+xO22 (-0.5 <= x <= 1.7): a mixed valence bismuth oxide related to perovskite","Chemistry of Materials","1998","10","","1875","1881","10.1021/cm9800377","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000641","4.401","","9.5967","","6.9817","","90","","108.274","","90","","280","","","","4","","","","","","","","","3","P 1 21/c 1","","","","","","- K N O2 -","","","","","","Onoda-Yamamuro, N.; Honda, H.; Ikeda, R.; Yamamuro, O.; Matsuo, T.; Oikawa, K.; Kamiyama, T.; Izumi, F.","Neutron powder diffraction study of the low-temperature phases of KNO2","Journal of Physics: Condensed Matter","1998","10","","3341","3351","10.1088/0953-8984/10/15/011","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000683","12.27","","12.27","","11.04","","90","","90","","90","","1662.1","","","","","","","","","","","","","3","","","","","","","- Bi17 O33 V3 -","","","","","","Pang, G. S.; Feng, S. H.; Tang, Y. C.; Tan, C. H.; Xu, R. R.","Hydrothermal synthesis, characterization, and ionic conductivity of vanadium-stabilized Bi~17~V~3~O~33~ with fluorite-related superlattice structure","Chemistry of Materials","1998","10","","2446","2449","10.1021/cm9801284","","","","","","","","","","","","","","","","","","","","","","203841","2020-10-21","18:00:00",""
"6000730","16.4972","","7.0673","","9.495","","90","","113.477","","90","","1015.39","","","","","","","","","","","","","6","P 1 21/c 1","","","","","","- C7 H9 Al Br O5 P -","","","","","","Chaplais, G.; Le, Bideau J; Leclercq, D.; Mutin, H.; Vioux, A.","Novel aluminium phenyl, benzyl, and bromobenzylphosphonates: structural characterisation and hydration-dehydration reactions","Journal of Materials Chemistry","2000","10","","1593","1601","10.1039/b000103l","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000731","8.979","","6.2299","","8.103","","90","","90.05","","90","","453.27","","","","","","","","","","","","","5","P 1 2/n 1","","","","","","- C4 H2 Cs O9 Y -","","","","","","Bataille, T.; Auffredic, J. P.; Louer, D.","Crystal structure and thermal behaviour of the new layered oxalate Y(H2O)Cs(C2O4)(2) studied by powder X-ray diffraction","Journal of Materials Chemistry","2000","10","","1707","1711","10.1039/b001201g","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000743","5.0279","","5.0279","","10.0559","","90","","90","","120","","220.15","","","","280","","","","","","","","","3","R -3 m","","","","","","- K N O2 -","","","","","","Onoda-Yamamuro, N.; Honda, H.; Ikeda, R.; Yamamuro, O.; Matsuo, T.; Oikawa, K.; Kamiyama, T.; Izumi, F.","Neutron powder diffraction study of the low-temperature phases of KNO2","Journal of Physics: Condensed Matter","1998","10","","3341","3351","10.1088/0953-8984/10/15/011","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000762","11.99","","9.496","","8.339","","90","","90","","90","","949.45","","","","","","","","","","","","","4","P 21 21 21","","","","","","- Fe2 H3 O12 V3 -","","","","","","Poizot, P.; Laruelle, S.; Touboul, M.; Louer, M.; Louer, D.","Synthesis and crystal structure of a new hydrated iron(III) vanadate Fe2(H2O)[V2O7 .VO3(OH)]","Journal of Materials Chemistry","2000","10","","1841","1845","10.1039/b000448k","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000763","3.6287","","3.6287","","19.0921","","90","","90","","120","","217.72","","","","","","","","","","","","","2","R -3 m","","","","","","- Ca2 N -","","","","","","Gregory, D. H.; Bowman, A.; Baker, C. F.; Weston, D. P.","Dicalcium nitride, Ca2N - a 2D ""excess electron"" compound; synthetic routes and crystal chemistry","Journal of Materials Chemistry","2000","10","","1635","1641","10.1039/b001911i","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7122891","7.7342","0.0005","11.9996","0.0008","14.6465","0.001","97.469","0.002","92.265","0.002","91.035","0.002","1346.35","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H25 F N4 O5 -","- C32 H25 F N4 O5 -","- C64 H50 F2 N8 O10 -","2","1","","Shyamsivappan, Selvaraj; Vivek, Raju; Saravanan, Arjunan; Arasakumar, Thangaraj; Subashini, Gopalan; Suresh, Thangaraj; Shankar, Ramasamy; Mohan, Palathurai Subramaniam","Synthesis and X-ray study of dispiro 8-nitroquinolone analogues and their cytotoxic properties against human cervical cancer HeLa cells.","MedChemComm","2019","10","3","439","449","10.1039/c8md00482j","","","0.71073","MoKα","","0.0602","0.0483","","","0.1267","0.135","","","","","","1.045","","","","has coordinates","224649","2020-10-21","18:00:00",""
"7123016","13.6252","0.0016","10.5144","0.0012","12.6246","0.0013","90","","96.075","0.002","90","","1798.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 F N4 O2 -","- C18 H23 F N4 O2 -","- C72 H92 F4 N16 O8 -","4","1","","Attram, Henrietta D.; Wittlin, Sergio; Chibale, Kelly","Incorporation of an intramolecular hydrogen bonding motif in the side chain of antimalarial benzimidazoles.","MedChemComm","2019","10","3","450","455","10.1039/c8md00608c","","","0.71073","MoKα","","0.0673","0.0432","","","0.1001","0.1137","","","","","","1.017","","","","has coordinates","224648","2020-10-21","18:00:00",""
"7123070","9.8155","0.0005","11.1719","0.0005","11.1821","0.0005","91.5571","0.0016","95.2218","0.0016","101.216","0.0017","1196.53","0.1","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H35 N3 O5 -","- C24 H35 N3 O5 -","- C48 H70 N6 O10 -","2","1","","Picott, Katherine J.; Deichert, Julie A.; deKemp, Ella M; Schatte, Gabriele; Sauriol, Françoise; Ross, Avena C.","Isolation and characterization of tambjamine MYP1, a macrocyclic tambjamine analogue from marine bacterium <i>Pseudoalteromonas citrea</i>.","MedChemComm","2019","10","3","478","483","10.1039/c9md00061e","","","0.71073","MoKα","","0.0954","0.0641","","","0.1568","0.1795","","","","","","1.018","","","","has coordinates","224647","2020-10-21","18:00:00",""
"7123148","7.87143","0.00014","10.70505","0.00019","17.4437","0.0003","90","","104.401","0.001","90","","1423.69","0.04","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 B F4 N2 -","- C14 H15 B F4 N2 -","- C56 H60 B4 F16 N8 -","4","1","","Taniguchi, Atsuhiko; Sawazaki, Taka; Shimizu, Yusuke; Sohma, Youhei; Kanai, Motomu","Photophysical properties and application in live cell imaging of B,B-fluoro-perfluoroalkyl BODIPYs.","MedChemComm","2019","10","7","1121","1125","10.1039/c9md00011a","","","1.54187","CuKα","","0.054","0.0498","","","0.1218","0.1253","","","","","","0.992","","","","has coordinates","224646","2020-10-21","18:00:00",""
"7123178","10.0539","0.0009","10.6527","0.001","14.9435","0.0014","90","","90","","90","","1600.5","0.3","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","NDS-301","1-(3-fluorobenzyl)-2-isopropyl-1H-benzo[d]imidazole-5-carboxylic acid","","- C18 H17 F N2 O2 -","- C18 H17 F N2 O2 -","- C72 H68 F4 N8 O8 -","4","1","","Sitwala, Nikum D.; Vyas, Vivek K.; Gedia, Piyush; Patel, Kinjal; Bouzeyen, Rania; Kidwai, Saqib; Singh, Ramandeep; Ghate, Manjunath D.","3D QSAR-based design and liquid phase combinatorial synthesis of 1,2-disubstituted benzimidazole-5-carboxylic acid and 3-substituted-5<i>H</i>-benzimidazo[1,2-<i>d</i>][1,4]benzodiazepin-6(7<i>H</i>)-one derivatives as anti-mycobacterial agents.","MedChemComm","2019","10","5","817","827","10.1039/c9md00006b","","","0.71075","MoKα","","","0.0453","","","","0.1269","","","","","","1.06","","","","has coordinates","224644","2020-10-21","18:00:00",""
"7123230","28.073","0.005","21.531","0.004","28.536","0.005","90","","104.17","0.03","90","","16723","6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","mtm-saphe-Mg2+","","- C250.29 H340.86 Mg2 N4 O141.24 -","- C250.28 H340.822 Mg2 N4 O141.24 -","- C500.56 H681.644 Mg4 N8 O282.48 -","2","1","","Hou, Caixia; Rohr, Jürgen; Parkin, Sean; Tsodikov, Oleg V.","How mithramycin stereochemistry dictates its structure and DNA binding function.","MedChemComm","2019","10","5","735","741","10.1039/c9md00100j","","","0.97872","synchrotron","","0.1026","0.0795","","","0.2076","0.2318","","","","","","1.108","","","","has coordinates","224645","2020-10-21","18:00:00",""
"7123231","18.7382","0.0005","28.3032","0.0008","31.3664","0.0007","90","","90","","90","","16635.2","0.7","90","0.2","90","0.2","","","","","","","","5","I 2 2 2","I 2 2","23","","mtm-B-Zn2+","","- C416 H544 B8 O257 Zn4 -","- C416 H544 B8 O257 Zn4 -","- C416 H544 B8 O257 Zn4 -","1","0.125","","Hou, Caixia; Rohr, Jürgen; Parkin, Sean; Tsodikov, Oleg V.","How mithramycin stereochemistry dictates its structure and DNA binding function.","MedChemComm","2019","10","5","735","741","10.1039/c9md00100j","","","1.54178","CuKα","","0.0693","0.0508","","","0.1413","0.159","","","","","","1.052","","","","has coordinates,has disorder","224645","2020-10-21","18:00:00",""
"7123460","9.16689","0.00015","20.2059","0.0004","21.1011","0.0004","90","","90","","90","","3908.46","0.12","100","0.6","100","0.6","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H31 Cl2 Ir N2 O -","- C16 H31 Cl2 Ir N2 O -","- C128 H248 Cl16 Ir8 N16 O8 -","8","2","","DuChane, Christine M.; Karpin, George W.; Ehrich, Marion; Falkinham, 3rd, Joseph O; Merola, Joseph S.","Iridium piano stool complexes with activity against <i>S. aureus</i> and MRSA: it is past time to truly think outside of the box.","MedChemComm","2019","10","8","1391","1398","10.1039/c9md00140a","","x-ray","0.71073","MoKα","","0.0356","0.0311","","","0.0626","0.0646","","","","","","1.087","","","","has coordinates","224641","2020-10-21","18:00:00",""
"7123461","25.3023","0.0002","14.75173","0.00012","20.32938","0.00018","90","","93.863","0.0008","90","","7570.76","0.11","99.9","","99.9","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32.5 H59 Cl5 Ir2 N4 -","- C32.5 H59 Cl5 Ir2 N4 -","- C260 H472 Cl40 Ir16 N32 -","8","2","","DuChane, Christine M.; Karpin, George W.; Ehrich, Marion; Falkinham, 3rd, Joseph O; Merola, Joseph S.","Iridium piano stool complexes with activity against <i>S. aureus</i> and MRSA: it is past time to truly think outside of the box.","MedChemComm","2019","10","8","1391","1398","10.1039/c9md00140a","","","0.71073","MoKα","","0.0581","0.0338","","","0.0586","0.0669","","","","","","1.082","","","","has coordinates","224641","2020-10-21","18:00:00",""
"7123556","8.9148","0.0005","9.6905","0.0008","18.8528","0.0013","90","","90","","90","","1628.7","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 B O4 -","- C14 H25 B O4 -","- C56 H100 B4 O16 -","4","1","","Bardell-Cox, Oliver A; White, Andrew J. P.; Aragón, Luis; Fuchter, Matthew J.","Synthetic studies on the reverse antibiotic natural products, the nybomycins.","MedChemComm","2019","10","8","1438","1444","10.1039/c9md00207c","","","0.71073","MoKα","","0.0646","0.0496","","","0.1048","0.1161","","","","","","1.063","","","","has coordinates,has disorder","224642","2020-10-21","18:00:00",""
"7123599","13.8321","0.0007","8.4887","0.0003","30.2097","0.0013","90","","90","","90","","3547.1","0.3","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H22 O5 -","- C21 H22 O5 -","- C168 H176 O40 -","8","1","","Maguire, Casey J.; Carlson, Graham J.; Ford, Jacob W.; Strecker, Tracy E.; Hamel, Ernest; Trawick, Mary Lynn; Pinney, Kevin G.","Synthesis and biological evaluation of structurally diverse α-conformationally restricted chalcones and related analogues.","MedChemComm","2019","10","8","1445","1456","10.1039/c9md00127a","","","0.71073","MoKα","","0.0572","0.04","","","0.0906","0.099","","","","","","1.031","","","","has coordinates","224643","2020-10-21","18:00:00",""
"7123600","13.7677","0.0008","10.5053","0.0009","25.8983","0.0016","90","","90","","90","","3745.8","0.5","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H23 Br O4 -","- C21 H23 Br O4 -","- C168 H184 Br8 O32 -","8","1","","Maguire, Casey J.; Carlson, Graham J.; Ford, Jacob W.; Strecker, Tracy E.; Hamel, Ernest; Trawick, Mary Lynn; Pinney, Kevin G.","Synthesis and biological evaluation of structurally diverse α-conformationally restricted chalcones and related analogues.","MedChemComm","2019","10","8","1445","1456","10.1039/c9md00127a","","","0.71073","MoKα","","0.0498","0.0366","","","0.0796","0.0843","","","","","","1.076","","","","has coordinates","224643","2020-10-21","18:00:00",""
"7123601","7.08","0.0002","8.7733","0.0003","28.3213","0.0008","90","","90","","90","","1759.18","0.09","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 O4 -","- C21 H24 O4 -","- C84 H96 O16 -","4","1","","Maguire, Casey J.; Carlson, Graham J.; Ford, Jacob W.; Strecker, Tracy E.; Hamel, Ernest; Trawick, Mary Lynn; Pinney, Kevin G.","Synthesis and biological evaluation of structurally diverse α-conformationally restricted chalcones and related analogues.","MedChemComm","2019","10","8","1445","1456","10.1039/c9md00127a","","","0.71073","MoKα","","0.0462","0.0388","","","0.0832","0.0863","","","","","","1.052","","","","has coordinates","224643","2020-10-21","18:00:00",""
"7123638","6.205","0.0002","8.318","0.0002","38.4608","0.0011","90","","92.7485","0.0015","90","","1982.8","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Cl N O4 S2 -","- C19 H22 Cl N O4 S2 -","- C76 H88 Cl4 N4 O16 S8 -","4","1","","Vairoletti, Franco; Medeiros, Andrea; Fontán, Pablo; Meléndrez, Jennifer; Tabárez, Carlos; Salinas, Gustavo; Franco, Jaime; Comini, Marcelo A.; Saldaña, Jenny; Jancik, Vojtech; Mahler, Graciela; Saiz, Cecilia","Synthesis of bicyclic 1,4-thiazepines as novel anti-<i>Trypanosoma brucei brucei</i> agents.","MedChemComm","2019","10","8","1481","1487","10.1039/c9md00064j","","","1.54178","CuKα","","0.0706","0.0678","","","0.1762","0.1783","","","","","","1.043","","","","has coordinates","224640","2020-10-21","18:00:00",""
"7124054","6.1589","0.0002","10.7744","0.0003","13.0636","0.0004","104.09","0.001","93.658","0.001","95.647","0.001","833.25","0.04","150","","150","","","","","","","","","4","P 1","P 1","1","","JK-494","","- C19 H23 N3 O -","- C19 H23 N3 O -","- C38 H46 N6 O2 -","2","2","","Küppers, Jim; Benkel, Tobias; Annala, Suvi; Schnakenburg, Gregor; Kostenis, Evi; Gütschow, Michael","BIM-46174 fragments as potential ligands of G proteins","MedChemComm","2019","10","10","1838","","10.1039/C9MD00269C","","x-ray","1.54178","CuKα","","0.0399","0.0367","","","0.0915","0.0936","","","","","","1.063","","","","has coordinates","224639","2020-10-21","18:00:00",""
"7152101","6.393","0.013","9.37","0.02","26.44","0.06","90","","92.38","0.02","90","","1582","6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 Cl2 N O3 -","- C16 H11 Cl2 N O3 -","- C64 H44 Cl8 N4 O12 -","4","1","","Lu, Shen-Ci; Wang, Wei-Xia; Gao, Pan-Liang; Zhang, Wei; Tu, Zhi-Feng","Photoinduced chlorine atom-transfer cyclization/photohydrolysis of 3-acyl-2-chloro-N-(ω-phenylalkynyl)pyrroles: a one-pot synthesis of benzoyl-substituted fused pyrroles.","Organic & biomolecular chemistry","2012","10","2","232","235","10.1039/c1ob05954h","","","0.71073","MoKα","","0.3128","0.1024","","","0.1659","0.2454","","","","","","0.958","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152102","14.3728","0.0002","14.5231","0.0002","14.9321","0.0003","66.097","0.001","62.095","0.001","73.914","0.001","2503.44","0.08","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H54 N10 O13 -","- C53 H54 N10 O13 -","- C106 H108 N20 O26 -","2","1","","Klein, Jörg M; Saggiomo, Vittorio; Reck, Lisa; Lüning, Ulrich; Sanders, Jeremy K. M.","Dynamic combinatorial libraries for the recognition of heavy metal ions.","Organic & biomolecular chemistry","2012","10","1","60","66","10.1039/c1ob05976a","","","0.71073","MoKα","","0.1033","0.0575","","","0.1217","0.1416","","","","","","1.03","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152103","8.0009","0.0002","25.2757","0.0005","12.9386","0.0003","90","","92.918","0.001","90","","2613.16","0.1","180","2","180","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H31 N5 O8 -","- C27 H31 N5 O8 -","- C108 H124 N20 O32 -","4","1","","Klein, Jörg M; Saggiomo, Vittorio; Reck, Lisa; Lüning, Ulrich; Sanders, Jeremy K. M.","Dynamic combinatorial libraries for the recognition of heavy metal ions.","Organic & biomolecular chemistry","2012","10","1","60","66","10.1039/c1ob05976a","","","0.71073","MoKα","","0.046","0.0366","","","0.0816","0.0866","","","","","","1.047","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152104","11.8038","0.0004","16.2989","0.0005","19.3777","0.0008","90","","105.682","0.002","90","","3589.3","0.2","132","2","132","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N O S2 -","- C22 H15 N O S2 -","- C176 H120 N8 O8 S16 -","8","2","","Maurya, Hardesh K.; Tandon, Vishnu K.; Kumar, Brijesh; Kumar, Abhinav; Huch, Volker; Ram, Vishnu Ji","Non-catalytic approach to the synthesis of partially reduced 'S' shaped dioxathia- and oxadithiahelicenes through base induced inter- and intramolecular C-C bond formation.","Organic & biomolecular chemistry","2012","10","3","605","613","10.1039/c1ob06091k","","","0.71073","MoKα","","0.1403","0.0844","","","0.18","0.2007","","","","","","1.176","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152105","8.7105","0.0006","8.3893","0.0006","41.097","0.003","90","","90","","90","","3003.2","0.4","132","2","132","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C17 H13 Cl N2 O2 S -","- C17 H13 Cl N2 O2 S -","- C136 H104 Cl8 N16 O16 S8 -","8","2","","Maurya, Hardesh K.; Tandon, Vishnu K.; Kumar, Brijesh; Kumar, Abhinav; Huch, Volker; Ram, Vishnu Ji","Non-catalytic approach to the synthesis of partially reduced 'S' shaped dioxathia- and oxadithiahelicenes through base induced inter- and intramolecular C-C bond formation.","Organic & biomolecular chemistry","2012","10","3","605","613","10.1039/c1ob06091k","","","0.71073","MoKα","","0.0746","0.0562","","","0.1334","0.143","","","","","","1.038","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152106","7.723","0.002","9.374","0.004","24.947","0.007","90","","95.26","0.03","90","","1798.4","1","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N O2 S -","- C23 H17 N O2 S -","- C92 H68 N4 O8 S4 -","4","1","","Maurya, Hardesh K.; Tandon, Vishnu K.; Kumar, Brijesh; Kumar, Abhinav; Huch, Volker; Ram, Vishnu Ji","Non-catalytic approach to the synthesis of partially reduced 'S' shaped dioxathia- and oxadithiahelicenes through base induced inter- and intramolecular C-C bond formation.","Organic & biomolecular chemistry","2012","10","3","605","613","10.1039/c1ob06091k","","","0.71073","MoKα","","0.052","0.0391","","","0.1006","0.1074","","","","","","1.02","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152107","10.8844","0.0004","14.3626","0.0006","15.4658","0.001","113.395","0.003","103.121","0.003","99.252","0.002","2074.15","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H58 Cl3 Dy N8 O10 -","- C31 H58 Cl3 Dy N8 O10 -","- C62 H116 Cl6 Dy2 N16 O20 -","2","1","","Milne, Mark; Chicas, Kirby; Li, Alex; Bartha, Robert; Hudson, Robert H. E.","ParaCEST MRI contrast agents capable of derivatization via""click"" chemistry.","Organic & biomolecular chemistry","2012","10","2","287","292","10.1039/c1ob06162c","","","0.71073","MoKα","","0.0289","0.0237","","","0.0593","0.062","","","","","","1.056","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152108","11.1524","0.0006","13.9136","0.0007","15.2106","0.0012","110.878","0.003","103.133","0.003","100.034","0.002","2061.4","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H58 Cl3 N8 Nd O10 -","- C31 H58 Cl3 N8 Nd O10 -","- C62 H116 Cl6 N16 Nd2 O20 -","2","1","","Milne, Mark; Chicas, Kirby; Li, Alex; Bartha, Robert; Hudson, Robert H. E.","ParaCEST MRI contrast agents capable of derivatization via""click"" chemistry.","Organic & biomolecular chemistry","2012","10","2","287","292","10.1039/c1ob06162c","","","0.71073","MoKα","","0.0347","0.0269","","","0.0615","0.0647","","","","","","1.069","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152109","10.8916","0.0005","14.362","0.0006","15.4604","0.001","113.338","0.002","103.205","0.003","99.22","0.002","2075","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H57 Cl3 N8 O10 Tb -","- C31 H57 Cl3 N8 O10 Tb -","- C62 H114 Cl6 N16 O20 Tb2 -","2","1","","Milne, Mark; Chicas, Kirby; Li, Alex; Bartha, Robert; Hudson, Robert H. E.","ParaCEST MRI contrast agents capable of derivatization via""click"" chemistry.","Organic & biomolecular chemistry","2012","10","2","287","292","10.1039/c1ob06162c","","","0.71073","MoKα","","0.0263","0.0224","","","0.0574","0.0598","","","","","","1.066","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152110","10.8858","0.0005","14.3185","0.0006","15.4483","0.0007","113.484","0.002","102.767","0.002","99.404","0.002","2067","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H53 Cl3 N8 O10 Yb -","- C31 H53 Cl3 N8 O10 Yb -","- C62 H106 Cl6 N16 O20 Yb2 -","2","1","","Milne, Mark; Chicas, Kirby; Li, Alex; Bartha, Robert; Hudson, Robert H. E.","ParaCEST MRI contrast agents capable of derivatization via""click"" chemistry.","Organic & biomolecular chemistry","2012","10","2","287","292","10.1039/c1ob06162c","","","0.71073","MoKα","","0.0431","0.0303","","","0.0631","0.0683","","","","","","1.063","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152111","12.828","0.002","11.141","0.002","16.665","0.003","90","","103.208","0.01","90","","2318.7","0.7","113","2","113","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H22 F2 N2 O -","- C30 H22 F2 N2 O -","- C120 H88 F8 N8 O4 -","4","1","","Zhou, Rong; Wang, Jianfang; Tian, Junjun; He, Zhengjie","Phosphine-catalyzed [4 + 2] annulation and vinylogous addition reactions between 1,4-dien-3-ones and 1,1-dicyanoalkenes.","Organic & biomolecular chemistry","2012","10","4","773","781","10.1039/c1ob06187a","","","0.71073","MoKα","","0.0332","0.0285","","","0.0599","0.0606","","","","","","1.043","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152113","10.3225","0.0007","11.2447","0.0008","16.7681","0.0011","90","","114.116","0.004","90","","1776.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N2 O -","- C10 H8 N2 O -","- C80 H64 N16 O8 -","8","2","","Li, Ping; Teng, Bo-Tao; Jin, Fa-Gen; Li, Xin-Sheng; Zhu, Wei-Dong; Xie, Jian-Wu","Synthesis of functionalized 2,3-dihydroisoxazoles by domino reactions in water and unexpected ring-opening reactions of 2,3-dihydroisoxazoles.","Organic & biomolecular chemistry","2012","10","2","244","247","10.1039/c1ob06318a","","","0.71073","MoKα","","","0.0483","","","0.1209","0.1477","","","","","","1.01","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152114","6.2773","0.0003","9.4898","0.0006","10.1036","0.0006","90","","90","","90","","601.87","0.06","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C24 H32 O16 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0292","0.0264","","0.0332","0.0301","0.0301","","","","","","1.0409","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152115","6.7114","0.0003","10.2593","0.0004","17.4506","0.0007","90","","90","","90","","1201.55","0.09","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C48 H64 O32 -","8","2","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0287","0.0253","","0.0355","0.0305","0.0305","","","","","","1.0396","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152116","5.0789","0.0002","11.0036","0.0005","10.9164","0.0005","90","","90.128","0.002","90","","610.07","0.05","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C24 H32 O16 -","4","2","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0235","0.0214","","0.0283","0.0252","0.0252","","","","","","1.1423","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152117","5.6736","0.0002","9.5781","0.0004","10.7239","0.0004","90","","90","","90","","582.76","0.04","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C24 H32 O16 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0276","0.0245","","0.0348","0.0291","0.0291","","","","","","1.1434","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152118","6.4573","0.0003","9.4912","0.0005","10.0281","0.0005","90","","90","","90","","614.6","0.05","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C24 H32 O16 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0268","0.0242","","0.0314","0.0283","0.0283","","","","","","1.0708","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152119","6.1219","0.0003","8.5353","0.0006","11.8539","0.0008","90","","90","","90","","619.39","0.07","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C24 H32 O16 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0309","0.0255","","0.0388","0.0295","0.0295","","","","","","0.9937","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152120","6.6936","0.0005","7.0452","0.0005","6.707","0.0005","90","","99.357","0.002","90","","312.08","0.04","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C12 H16 O8 -","2","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0263","0.0235","","0.0294","0.0268","0.0268","","","","","","1.1023","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152121","6.1357","0.0004","5.1847","0.0003","9.4064","0.0006","90","","93.064","0.002","90","","298.81","0.03","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C12 H16 O8 -","2","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0264","0.0242","","0.0313","0.0275","0.0275","","","","","","1.1586","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152122","7.698","0.0002","8.773","0.0002","8.885","0.0003","90","","94.976","0.0016","90","","597.78","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C24 H28 F4 O12 -","4","2","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0325","0.0273","","0.0366","0.0308","0.0308","","","","","","1.0295","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152123","8.193","0.0003","7.164","0.0003","10.941","0.0005","90","","109.287","0.002","90","","606.14","0.04","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C24 H28 F4 O12 -","4","2","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.047","0.0304","","0.0581","0.0345","0.0345","","","","","","1.0842","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152124","6.3628","0.0002","9.2072","0.0003","10.1628","0.0003","90","","90","","90","","595.37","0.03","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C24 H28 F4 O12 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0347","0.0295","","0.0384","0.0341","0.0341","","","","","","1.1757","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152125","5.7591","0.0003","6.2197","0.0003","16.2984","0.0008","90","","90","","90","","583.81","0.05","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C24 H28 F4 O12 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0373","0.0271","","0.0413","0.0308","0.0308","","","","","","1.1361","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152126","6.1181","0.0003","7.1297","0.0003","6.9272","0.0004","90","","94.628","0.002","90","","301.18","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C12 H14 F2 O6 -","2","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0266","0.0235","","0.0318","0.0277","0.0277","","","","","","1.1481","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152127","6.271","0.0002","7.6812","0.0002","12.1999","0.0003","90","","90","","90","","587.65","0.03","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C24 H28 F4 O12 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0281","0.0267","","0.0303","0.0298","0.0298","","","","","","1.1424","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152128","6.3457","0.0002","7.8536","0.0004","12.1288","0.0005","90","","90","","90","","604.46","0.04","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C24 H28 F4 O12 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0317","0.0281","","0.0351","0.0295","0.0295","","","","","","1.1513","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152129","7.2178","0.001","8.7675","0.0013","9.5","0.002","90","","90","","90","","601.18","0.18","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C24 H28 F4 O12 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0377","0.0295","","0.0475","0.0334","0.0334","","","","","","1.0651","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152130","5.1716","0.0002","5.2806","0.0002","6.082","0.0003","68.403","0.002","67.501","0.002","80.743","0.003","142.64","0.011","150","","150","","","","","","","","","4","P 1","P 1","1","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C6 H7 F O3 -","1","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.027","0.0261","","0.0281","0.0274","0.0274","","","","","","1.179","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152131","6.7058","0.0005","8.1556","0.0005","10.7504","0.0007","90","","90","","90","","587.94","0.07","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C24 H28 F4 O12 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0327","0.0261","","0.0399","0.0308","0.0308","","","","","","1.0307","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152132","6.224","0.0004","10.6879","0.0006","8.8554","0.0004","90","","106.7","0.004","90","","564.23","0.06","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H13 F O4 -","- C13 H13 F O4 -","- C26 H26 F2 O8 -","2","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0413","0.031","","0.0445","0.0309","0.0309","","","","","","1.1805","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152133","6.203","0.002","13.362","0.005","18.973","0.007","90","","106.802","0.01","90","","1505.4","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N4 O -","- C17 H16 N4 O -","- C68 H64 N16 O4 -","4","1","","Han, Feng; Yang, Lei; Li, Zhen; Xia, Chungu","Acidic-functionalized ionic liquid as an efficient, green and reusable catalyst for hetero-Michael addition of nitrogen, sulfur and oxygen nucleophiles to α,β-unsaturated ketones.","Organic & biomolecular chemistry","2012","10","2","346","354","10.1039/c1ob06346d","","","0.71073","MoKα","","0.0882","0.059","","","0.1615","0.185","","","","","","1.055","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152134","9.912","0.004","13.636","0.005","10.633","0.004","90","","104.257","0.005","90","","1392.9","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 O -","- C16 H15 N3 O -","- C64 H60 N12 O4 -","4","1","","Han, Feng; Yang, Lei; Li, Zhen; Xia, Chungu","Acidic-functionalized ionic liquid as an efficient, green and reusable catalyst for hetero-Michael addition of nitrogen, sulfur and oxygen nucleophiles to α,β-unsaturated ketones.","Organic & biomolecular chemistry","2012","10","2","346","354","10.1039/c1ob06346d","","","0.71073","MoKα","","0.0696","0.0457","","","0.125","0.1423","","","","","","1.019","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152135","13.063","0.002","13.707","0.002","13.95","0.002","99.713","0.002","99.524","0.002","99.393","0.002","2380.7","0.6","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H57 N3 O21 -","- C42 H57 N3 O21 -","- C84 H114 N6 O42 -","2","1","","Nieto-García, Olaia; Lago-Santomé, Hugo; Cagide-Fagín, Fernando; Ortiz-Lara, Juan Carlos; Alonso, Ricardo","A formal [3+3]-annulation-based approach to pancratistatins: total synthesis of (±)-7-deoxy-pancratistatin and its 2-epi and 2,4-diepi analogues.","Organic & biomolecular chemistry","2012","10","4","825","834","10.1039/c1ob06374j","","","0.71069","MoKα","","0.1024","0.0501","","","0.1423","0.1755","","","","","","0.712","","","","has coordinates,has disorder","180307","2020-10-21","18:00:00",""
"7152136","8.9268","0.0017","8.9385","0.0017","9.3112","0.0017","68.989","0.017","78.429","0.016","74.952","0.016","665","0.2","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H23 N O2 -","- C15 H23 N O2 -","- C30 H46 N2 O4 -","2","1","","Gignoux, Camille; Newton, Annabella F.; Barthelme, Alexandre; Lewis, William; Alcaraz, Marie-Lyne; Stockman, Robert A.","Combining two-directional synthesis and tandem reactions: a short formal synthesis of halichlorine.","Organic & biomolecular chemistry","2012","10","1","67","69","10.1039/c1ob06380d","","","1.5418","CuKα","","0.0691","0.0666","","","0.1782","0.1796","","","","","","1.129","","","","has coordinates,has disorder","180307","2020-10-21","18:00:00",""
"7152137","15.9979","0.0003","29.8312","0.0005","20.5629","0.0005","90","","105.044","0.003","90","","9477","0.4","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C87 H111 Br2 Cl9 N4 O9 -","- C87 H96.3 Br2 Cl9 N4 O8 -","- C348 H385.2 Br8 Cl36 N16 O32 -","4","1","","El Moll, Hani; Sémeril, David; Matt, Dominique; Toupet, Loïc; Harrowfield, Jean-Jacques","Resorcin[4]arene-derived mono-, bis- and tetra-imidazolium salts as ligand precursors for Suzuki-Miyaura cross-coupling.","Organic & biomolecular chemistry","2012","10","2","372","382","10.1039/c1ob06404e","","","0.71073","MoKα","","0.2379","0.0955","","","0.2681","0.3073","","","","","","0.873","","","","has coordinates,has disorder","180307","2020-10-21","18:00:00",""
"7152138","8.466","0.0003","7.2644","0.0002","22.2712","0.0007","90","","95.081","0.001","90","","1364.31","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","sarpong13","sarpong13","","- C15 H15 Cl N2 O -","- C15 H15 Cl N2 O -","- C60 H60 Cl4 N8 O4 -","4","1","","Hardin Narayan, Alison R.; Sarpong, Richmond","Indolizinones as synthetic scaffolds: fundamental reactivity and the relay of stereochemical information.","Organic & biomolecular chemistry","2012","10","1","70","78","10.1039/c1ob06423a","","","1.54178","CuKα","","0.0361","0.0353","","","0.0949","0.0956","","","","","","1.057","","","","has coordinates","204147","2020-10-21","18:00:00",""
"7152139","22.2396","0.0013","12.8939","0.0007","10.309","0.0006","90","","110.568","0.003","90","","2767.7","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","sarpong18","sarpong18","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C128 H120 N8 O32 -","8","1","","Hardin Narayan, Alison R.; Sarpong, Richmond","Indolizinones as synthetic scaffolds: fundamental reactivity and the relay of stereochemical information.","Organic & biomolecular chemistry","2012","10","1","70","78","10.1039/c1ob06423a","","","1.54178","CuKα","","0.0479","0.0465","","","0.1257","0.1274","","","","","","1.07","","","","has coordinates","204147","2020-10-21","18:00:00",""
"7152140","13.908","0.002","11.0651","0.0018","12.376","0.002","90","","91.176","0.004","90","","1904.2","0.5","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 -","- C27 H20 -","- C108 H80 -","4","1","","Peng, Shiyong; Wang, Lei; Wang, Jian","Iron-catalyzed ene-type propargylation of diarylethylenes with propargyl alcohols.","Organic & biomolecular chemistry","2012","10","2","225","228","10.1039/c1ob06456h","","","0.71073","MoKα","","0.0607","0.0494","","","0.1195","0.1256","","","","","","1.049","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152141","16.337","0.002","9.364","0.002","36.071","0.003","90","","90","","90","","5518.1","1.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H24 N4 S6 -","- C26 H24 N4 S6 -","- C208 H192 N32 S48 -","8","1","","Rivadehi, Shadi; Reid, Ellen F.; Hogan, Conor F.; Bhosale, Sheshanath V.; Langford, Steven J.","Fluoride-selective optical sensor based on the dipyrrolyl-tetrathiafulvalene chromophore.","Organic & biomolecular chemistry","2012","10","4","705","709","10.1039/c1ob06459b","","","0.77051","","","0.0374","0.0351","","","0.0986","0.1001","","","","","","1.061","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152142","13.215","0.003","14.889","0.003","17.81","0.004","89.02","0.03","85.32","0.03","65.87","0.03","3186.9","1.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H36 O3 -","- C42 H36 O3 -","- C168 H144 O12 -","4","2","","Yu, Jin-Tao; Huang, Zhi-Tang; Zheng, Qi-Yu","Synthesis, structure, fullerene-binding and resolution of C(3)-symmetric cavitands with rigid and deep cavities.","Organic & biomolecular chemistry","2012","10","7","1359","1364","10.1039/c1ob06465g","","","0.71073","MoKα","","0.1407","0.122","","","0.3169","0.33","","","","","","1.125","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152143","12.237","0.0013","7.6556","0.0008","12.237","0.0013","90","","108.92","","90","","1084.4","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 N O2 -","- C15 H9 N O2 -","- C60 H36 N4 O8 -","4","1","","Xia, Ziming; Wang, Kuo; Zheng, Jiening; Ma, Zheyong; Jiang, Zhanguo; Wang, Xiaoxia; Lv, Xin","Copper-catalyzed domino intramolecular cyclization: a facile and efficient approach to polycyclic indole derivatives.","Organic & biomolecular chemistry","2012","10","8","1602","1611","10.1039/c1ob06488f","","","0.71073","MoKα","","0.1756","0.0983","","","0.2342","0.3158","","","","","","0.901","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152144","18.554","0.004","6.256","0.0015","13.851","0.003","90","","100.778","0.004","90","","1579.4","0.6","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(4R,4aR,10bS)-4-(4-methoxyphenyl)-2,4,4a,5,6,10b-hexahydro-1H- benzo[f]isochromene","","- C20 H22 O2 -","- C20 H22 O2 -","- C80 H88 O8 -","4","1","","Subba Reddy, B. V.; Borkar, Prashant; Yadav, J. S.; Purushotham Reddy, P.; Kunwar, A. C.; Sridhar, B.; Grée, René","Oxidative Prins and Prins/Friedel-Crafts cyclizations for the stereoselective synthesis of dioxabicycles and hexahydro-1H-benzo[f]isochromenes via the benzylic C-H activation.","Organic & biomolecular chemistry","2012","10","7","1349","1358","10.1039/c1ob06489d","","x-ray","0.71073","MoKα","","0.0798","0.0554","","","0.1105","0.1233","","","","","","1.12","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152145","6.1634","0.0006","11.2748","0.001","19.9532","0.0016","90","","90","","90","","1386.6","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 N3 O2 -","- C18 H13 N3 O2 -","- C72 H52 N12 O8 -","4","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Miliutina, Mariia; Villinger, Alexander; Volochnyuk, Dmytro; Sosnovskikh, Vyacheslav Ya; Langer, Peter","2,3-unsubstituted chromones and their enaminone precursors as versatile reagents for the synthesis of fused pyridines.","Organic & biomolecular chemistry","2012","10","4","890","894","10.1039/c1ob06494k","","","0.71073","MoKα","","0.0759","0.0446","","","0.0848","0.0939","","","","","","0.99","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152146","13.5897","0.0004","11.4742","0.0003","10.2062","0.0003","90","","110.969","0.002","90","","1486.07","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Cl N3 O2 -","- C18 H12 Cl N3 O2 -","- C72 H48 Cl4 N12 O8 -","4","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Miliutina, Mariia; Villinger, Alexander; Volochnyuk, Dmytro; Sosnovskikh, Vyacheslav Ya; Langer, Peter","2,3-unsubstituted chromones and their enaminone precursors as versatile reagents for the synthesis of fused pyridines.","Organic & biomolecular chemistry","2012","10","4","890","894","10.1039/c1ob06494k","","","0.71073","MoKα","","0.0454","0.0347","","","0.0923","0.0971","","","","","","1.06","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152147","13.5332","0.0007","11.4883","0.0006","10.268","0.0005","90","","111.013","0.002","90","","1490.24","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N3 O2 -","- C19 H15 N3 O2 -","- C76 H60 N12 O8 -","4","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Miliutina, Mariia; Villinger, Alexander; Volochnyuk, Dmytro; Sosnovskikh, Vyacheslav Ya; Langer, Peter","2,3-unsubstituted chromones and their enaminone precursors as versatile reagents for the synthesis of fused pyridines.","Organic & biomolecular chemistry","2012","10","4","890","894","10.1039/c1ob06494k","","","0.71073","MoKα","","0.0947","0.0494","","","0.1064","0.1206","","","","","","1.022","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152148","12.7467","0.0005","16.7588","0.0006","7.5184","0.0003","90","","105.053","0.002","90","","1550.97","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N3 O -","- C20 H17 N3 O -","- C80 H68 N12 O4 -","4","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Miliutina, Mariia; Villinger, Alexander; Volochnyuk, Dmytro; Sosnovskikh, Vyacheslav Ya; Langer, Peter","2,3-unsubstituted chromones and their enaminone precursors as versatile reagents for the synthesis of fused pyridines.","Organic & biomolecular chemistry","2012","10","4","890","894","10.1039/c1ob06494k","","","0.71073","MoKα","","0.0612","0.0443","","","0.1195","0.1272","","","","","","1.097","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152149","7.0888","0.0004","24.91","0.0013","8.8454","0.0004","90","","101.728","0.003","90","","1529.33","0.14","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 Cl N3 O S -","- C17 H16 Cl N3 O S -","- C68 H64 Cl4 N12 O4 S4 -","4","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Miliutina, Mariia; Villinger, Alexander; Volochnyuk, Dmytro; Sosnovskikh, Vyacheslav Ya; Langer, Peter","2,3-unsubstituted chromones and their enaminone precursors as versatile reagents for the synthesis of fused pyridines.","Organic & biomolecular chemistry","2012","10","4","890","894","10.1039/c1ob06494k","","","0.71073","MoKα","","0.0673","0.0403","","","0.0855","0.0933","","","","","","1.047","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152150","6.3395","0.0002","7.8493","0.0003","31.3577","0.0012","90","","90","","90","","1560.38","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N3 O S -","- C18 H19 N3 O S -","- C72 H76 N12 O4 S4 -","4","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Miliutina, Mariia; Villinger, Alexander; Volochnyuk, Dmytro; Sosnovskikh, Vyacheslav Ya; Langer, Peter","2,3-unsubstituted chromones and their enaminone precursors as versatile reagents for the synthesis of fused pyridines.","Organic & biomolecular chemistry","2012","10","4","890","894","10.1039/c1ob06494k","","","0.71073","MoKα","","0.0498","0.0364","","","0.0772","0.0824","","","","","","1.031","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152151","9.934","0.0014","9.0722","0.0012","14.812","0.002","90","","104.519","0.003","90","","1292.3","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H25 N O7 S2 -","- C29 H25 N O7 S2 -","- C58 H50 N2 O14 S4 -","2","1","","Du, Zhiyun; Zhou, Chenggang; Gao, Yaojun; Ren, Qiao; Zhang, Kun; Cheng, Hansong; Wang, Wei; Wang, Jian","Expeditious diastereoselective construction of a thiochroman skeleton via a cinchona alkaloid-derived catalyst.","Organic & biomolecular chemistry","2012","10","1","36","39","10.1039/c1ob06497e","","","0.71073","MoKα","","0.0365","0.0355","","","0.0906","0.0915","","","","","","1.038","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152152","10.021","0.007","12.749","0.006","10.714","0.006","90","","90","","90","","1368.8","1.4","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","","Companyó, Xavier; Valero, Guillem; Pineda, Oriol; Calvet, Teresa; Font-Bardía, Mercè; Moyano, Albert; Rios, Ramon","Enantioselective organocatalytic oxyamination of unprotected 3-substituted oxindoles.","Organic & biomolecular chemistry","2012","10","2","431","439","10.1039/c1ob06503c","","","0.71073","MoKα","","0.0792","0.0571","","","0.1442","0.1577","","","","","","1.074","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152153","7.891","0.007","8.626","0.004","10.666","0.008","71.25","0.05","83.35","0.05","74.83","0.04","663.1","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C30 H28 N4 O4 -","2","1","","Companyó, Xavier; Valero, Guillem; Pineda, Oriol; Calvet, Teresa; Font-Bardía, Mercè; Moyano, Albert; Rios, Ramon","Enantioselective organocatalytic oxyamination of unprotected 3-substituted oxindoles.","Organic & biomolecular chemistry","2012","10","2","431","439","10.1039/c1ob06503c","","","0.71073","MoKα","","0.1059","0.0634","","","0.1709","0.1886","","","","","","1.184","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152154","8.5579","0.0017","9.7108","0.0019","11.568","0.003","73.985","0.004","68.692","0.003","73.448","0.003","842.4","0.3","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 Br O5 -","- C18 H19 Br O5 -","- C36 H38 Br2 O10 -","2","1","","Pei, Cheng-Kui; Wu, Lei; Lian, Zhong; Shi, Min","DABCO-catalyzed regioselective cyclization reactions of β,γ-unsaturated α-ketophosphonates or β,γ-unsaturated α-ketoesters with allenic esters.","Organic & biomolecular chemistry","2012","10","1","171","180","10.1039/c1ob06507f","","","0.71073","MoKα","","0.0586","0.0438","","","0.1321","0.1445","","","","","","0.979","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152155","14.217","0.0014","7.484","0.0008","14.487","0.0015","90","","93.356","0.007","90","","1538.8","0.3","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H14 Cl N O4 -","- C17 H14 Cl N O4 -","- C68 H56 Cl4 N4 O16 -","4","2","","Li, Xin; Xue, Xiao-Song; Liu, Cong; Wang, Bin; Tan, Bo-Xuan; Jin, Jia-Lu; Zhang, Yue-Yan; Dong, Nan; Cheng, Jin-Pei","Asymmetric Michael addition reactions of 3-substituted benzofuran-2(3H)-ones to nitroolefins catalyzed by a bifunctional tertiary-amine thiourea.","Organic & biomolecular chemistry","2012","10","2","413","420","10.1039/c1ob06518a","","","0.71075","MoKα","","0.0662","0.0487","","","0.0769","0.0837","","","","","","0.967","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152156","8.2333","0.0004","10.2275","0.0006","21.9756","0.0012","90","","92.507","0.002","90","","1848.71","0.17","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 I2 N2 -","- C20 H18 I2 N2 -","- C80 H72 I8 N8 -","4","1","","Cametti, Massimo; Raatikainen, Kari; Metrangolo, Pierangelo; Pilati, Tullio; Terraneo, Giancarlo; Resnati, Giuseppe","2-Iodo-imidazolium receptor binds oxoanions via charge-assisted halogen bonding.","Organic & biomolecular chemistry","2012","10","7","1329","1333","10.1039/c1ob06524f","","","0.71073","MoKα","","0.0561","0.0532","","","0.1467","0.1482","","","","","","1.316","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152157","7.0749","0.0006","12.5777","0.0015","26.548","0.003","90","","90.531","0.012","90","","2362.3","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 Br Cl3 I N2 -","- C21 H19 Br Cl3 I N2 -","- C84 H76 Br4 Cl12 I4 N8 -","4","1","","Cametti, Massimo; Raatikainen, Kari; Metrangolo, Pierangelo; Pilati, Tullio; Terraneo, Giancarlo; Resnati, Giuseppe","2-Iodo-imidazolium receptor binds oxoanions via charge-assisted halogen bonding.","Organic & biomolecular chemistry","2012","10","7","1329","1333","10.1039/c1ob06524f","","","0.71073","MoKα","","0.053","0.0354","","","0.0904","0.0989","","","","","","1.049","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152158","12.3454","0.0012","10.2075","0.001","15.1939","0.0015","90","","91.473","0.01","90","","1914","0.3","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl I N2 O -","- C20 H20 Cl I N2 O -","- C80 H80 Cl4 I4 N8 O4 -","4","1","","Cametti, Massimo; Raatikainen, Kari; Metrangolo, Pierangelo; Pilati, Tullio; Terraneo, Giancarlo; Resnati, Giuseppe","2-Iodo-imidazolium receptor binds oxoanions via charge-assisted halogen bonding.","Organic & biomolecular chemistry","2012","10","7","1329","1333","10.1039/c1ob06524f","","","0.71073","MoKα","","0.0277","0.0237","","","0.0692","0.071","","","","","","1.075","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152159","16.8192","0.0013","16.3863","0.0013","8.5845","0.0006","90","","90.086","0.003","90","","2365.9","0.3","90","2","90","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 I N3 O5 P -","- C23 H27 I N3 O5 P -","- C92 H108 I4 N12 O20 P4 -","4","1","","Cametti, Massimo; Raatikainen, Kari; Metrangolo, Pierangelo; Pilati, Tullio; Terraneo, Giancarlo; Resnati, Giuseppe","2-Iodo-imidazolium receptor binds oxoanions via charge-assisted halogen bonding.","Organic & biomolecular chemistry","2012","10","7","1329","1333","10.1039/c1ob06524f","","x-ray","0.71073","MoKα","","0.0896","0.0617","","","0.1398","0.1559","","","","","","1.02","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152160","9.7632","0.0009","21.4713","0.0019","10.1143","0.0009","90","","111.853","0.002","90","","1967.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 Br F2 N2 -","- C23 H17 Br F2 N2 -","- C92 H68 Br4 F8 N8 -","4","1","","Zhu, Jiangtao; Xie, Haibo; Chen, Zixian; Li, Shan; Wu, Yongming","A detailed study of the intramolecular hydroamination of N-(ortho-alkynyl)aryl-N'-substituted trifluoroacetamidines and bromodifluoroacetamidines.","Organic & biomolecular chemistry","2012","10","3","516","523","10.1039/c1ob06528a","","","0.71073","MoKα","","0.0945","0.0538","","","0.1325","0.1461","","","","","","0.878","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152161","12.5433","0.0014","13.5672","0.0015","12.0025","0.0014","90","","107.766","0.002","90","","1945.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Br F2 N2 -","- C23 H17 Br F2 N2 -","- C92 H68 Br4 F8 N8 -","4","1","","Zhu, Jiangtao; Xie, Haibo; Chen, Zixian; Li, Shan; Wu, Yongming","A detailed study of the intramolecular hydroamination of N-(ortho-alkynyl)aryl-N'-substituted trifluoroacetamidines and bromodifluoroacetamidines.","Organic & biomolecular chemistry","2012","10","3","516","523","10.1039/c1ob06528a","","","0.71073","MoKα","","0.0797","0.0454","","","0.1041","0.1106","","","","","","0.888","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152162","9.67","0.002","9.854","0.002","11.723","0.003","81.755","0.004","85.472","0.004","62.643","0.004","981.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H17 F3 N2 O -","- C23 H17 F3 N2 O -","- C46 H34 F6 N4 O2 -","2","1","","Zhu, Jiangtao; Xie, Haibo; Chen, Zixian; Li, Shan; Wu, Yongming","A detailed study of the intramolecular hydroamination of N-(ortho-alkynyl)aryl-N'-substituted trifluoroacetamidines and bromodifluoroacetamidines.","Organic & biomolecular chemistry","2012","10","3","516","523","10.1039/c1ob06528a","","","0.71073","MoKα","","0.115","0.0662","","","0.1634","0.1972","","","","","","0.86","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152163","18.8187","0.0003","16.0647","0.0003","26.4451","0.0003","90","","93.062","0.001","90","","7983.4","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H110 Cl4 N8 O7 -","- C72 H110 Cl4 N8 O7 -","- C288 H440 Cl16 N32 O28 -","4","1","","Belén Jiménez, M; Alcázar, Victoria; Peláez, Rafael; Sanz, Francisca; Fuentes de Arriba, Angel L.; Caballero, M. Cruz","Bis-amidocarbazolyl urea receptor for short-chain dicarboxylate anions.","Organic & biomolecular chemistry","2012","10","6","1181","1185","10.1039/c1ob06540h","","","1.54178","CuKα","","0.0888","0.0715","","","0.218","0.24","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152164","27.892","0.003","17.134","0.0018","30.726","0.003","90","","94.856","0.005","90","","14631","3","373","2","373","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C71 H108 Cl4 N8 O7 -","- C71 H108 Cl4 N8 O7 -","- C568 H864 Cl32 N64 O56 -","8","2","","Belén Jiménez, M; Alcázar, Victoria; Peláez, Rafael; Sanz, Francisca; Fuentes de Arriba, Angel L.; Caballero, M. Cruz","Bis-amidocarbazolyl urea receptor for short-chain dicarboxylate anions.","Organic & biomolecular chemistry","2012","10","6","1181","1185","10.1039/c1ob06540h","","","0.71073","MoKα","","0.2073","0.1454","","","0.3771","0.407","","","","","","1.056","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7152165","6.805","0.005","13.163","0.005","13.478","0.005","90","0.005","99.373","0.005","90","0.005","1191.2","1.1","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C26 H22 N2 O8 -","- C26 H22 N2 O8 -","- C52 H44 N4 O16 -","2","1","","Bhuniya, Rajib; Nanda, Samik","Enantiomeric scaffolding of α-tetralone and related scaffolds by EKR (enzymatic kinetic resolution) and stereoselective ketoreduction with ketoreductases.","Organic & biomolecular chemistry","2012","10","3","536","547","10.1039/c1ob06545a","","x-ray","0.71073","MoKα","","0.0973","0.0459","","","0.0823","0.1016","","","","","","0.985","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152166","6.717","0.003","7.176","0.003","12.147","0.004","99.024","0.011","99.364","0.012","91.872","0.011","569.5","0.4","293","","293","","","","","","","","synthesis as described","4","P 1","P 1","1","","","","- C25 H20 N2 O8 -","- C25 H20 N2 O8 -","- C25 H20 N2 O8 -","1","1","","Bhuniya, Rajib; Nanda, Samik","Enantiomeric scaffolding of α-tetralone and related scaffolds by EKR (enzymatic kinetic resolution) and stereoselective ketoreduction with ketoreductases.","Organic & biomolecular chemistry","2012","10","3","536","547","10.1039/c1ob06545a","","x-ray","0.71073","MoKα","","0.1285","0.0769","","","0.1893","0.2251","","","","","","0.997","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152167","5.7243","0.0003","18.0071","0.0008","11.168","0.0005","90","","96.429","0.004","90","","1143.94","0.09","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3S)-N-(tert-butylcarbonyl)-3-phenylprolyl-(S)-N'-methylphenylalaninamide","","- C26 H33 N3 O3 -","- C26 H33 N3 O3 -","- C52 H66 N6 O6 -","2","1","","Fatás, Paola; Jiménez, Ana I; Calaza, M. Isabel; Cativiela, Carlos","β-Phenylproline: the high β-turn forming propensity of proline combined with an aromatic side chain.","Organic & biomolecular chemistry","2012","10","3","640","651","10.1039/c1ob06561k","","","0.71073","MoKα","","0.0543","0.0325","","","0.0558","0.0594","","","","","","0.892","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152168","5.7726","0.0006","17.59","0.002","11.5824","0.0014","90","","96.205","0.01","90","","1169.2","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3S)-N-(tert-butylcarbonyl)-3-phenylprolyl-(R)-N'-methylphenylalaninamide","","- C26 H33 N3 O3 -","- C26 H33 N3 O3 -","- C52 H66 N6 O6 -","2","1","","Fatás, Paola; Jiménez, Ana I; Calaza, M. Isabel; Cativiela, Carlos","β-Phenylproline: the high β-turn forming propensity of proline combined with an aromatic side chain.","Organic & biomolecular chemistry","2012","10","3","640","651","10.1039/c1ob06561k","","","0.71073","MoKα","","0.1006","0.0481","","","0.0871","0.0966","","","","","","0.86","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152169","9.5504","0.0003","25.2883","0.0007","10.0653","0.0003","90","","103.733","0.003","90","","2361.41","0.13","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3R)-N-(tert-butylcarbonyl)-3-phenylprolyl-(S)-N'-methylphenylalaninamide","","- C26 H33 N3 O3 -","- C26 H33 N3 O3 -","- C104 H132 N12 O12 -","4","2","","Fatás, Paola; Jiménez, Ana I; Calaza, M. Isabel; Cativiela, Carlos","β-Phenylproline: the high β-turn forming propensity of proline combined with an aromatic side chain.","Organic & biomolecular chemistry","2012","10","3","640","651","10.1039/c1ob06561k","","","0.71073","MoKα","","0.049","0.0313","","","0.0567","0.0584","","","","","","0.851","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152170","9.67","0.0003","12.489","0.0005","19.8078","0.0007","90","","93.06","0.003","90","","2388.75","0.15","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3R)-N-(tert-butylcarbonyl)-3-phenylprolyl-(R)-N'-methylphenylalaninamide","","- C26 H33 N3 O3 -","- C26 H33 N3 O3 -","- C104 H132 N12 O12 -","4","2","","Fatás, Paola; Jiménez, Ana I; Calaza, M. Isabel; Cativiela, Carlos","β-Phenylproline: the high β-turn forming propensity of proline combined with an aromatic side chain.","Organic & biomolecular chemistry","2012","10","3","640","651","10.1039/c1ob06561k","","","0.71073","MoKα","","0.0856","0.0546","","","0.0912","0.1037","","","","","","1.04","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152171","13.539","0.002","13.615","0.002","13.6874","0.0017","90","","97.139","0.0012","90","","2503.5","0.6","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3R)-N-(tert-butoxycarbonyl)-3-phenylprolyl-(R)-N'-methylphenylalaninamide","","- C26 H33 N3 O4 -","- C26 H33 N3 O4 -","- C104 H132 N12 O16 -","4","2","","Fatás, Paola; Jiménez, Ana I; Calaza, M. Isabel; Cativiela, Carlos","β-Phenylproline: the high β-turn forming propensity of proline combined with an aromatic side chain.","Organic & biomolecular chemistry","2012","10","3","640","651","10.1039/c1ob06561k","","","0.71073","MoKα","","0.1341","0.0558","","","0.0906","0.1083","","","","","","0.873","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152172","13.9784","0.0017","6.7384","0.0008","20.781","0.003","90","","106.778","0.003","90","","1874.1","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 Br O4 -","- C24 H15 Br O4 -","- C96 H60 Br4 O16 -","4","1","","Jang, Yeong-Jiunn; Syu, Siang-en; Chen, Yu-Jhang; Yang, Mei-Chun; Lin, Wenwei","Syntheses of furo[3,4-c]coumarins and related furyl coumarin derivatives via intramolecular Wittig reactions.","Organic & biomolecular chemistry","2012","10","4","843","847","10.1039/c1ob06571h","","","0.71073","MoKα","","0.0936","0.042","","","0.0757","0.0899","","","","","","0.984","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152173","8.9178","0.0008","11.7133","0.0011","12.8242","0.0011","100.054","0.001","104.185","0.001","108.823","0.001","1181.39","0.18","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H19 Br O3 -","- C33 H19 Br O3 -","- C66 H38 Br2 O6 -","2","1","","Jang, Yeong-Jiunn; Syu, Siang-en; Chen, Yu-Jhang; Yang, Mei-Chun; Lin, Wenwei","Syntheses of furo[3,4-c]coumarins and related furyl coumarin derivatives via intramolecular Wittig reactions.","Organic & biomolecular chemistry","2012","10","4","843","847","10.1039/c1ob06571h","","","0.71073","MoKα","","0.0402","0.032","","","0.0734","0.0771","","","","","","1.013","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152174","11.4815","0.0014","17.5731","0.0015","10.472","0.001","90","","105.993","0.011","90","","2031.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 N O -","- C24 H31 N O -","- C96 H124 N4 O4 -","4","1","","Griffin, Karen; Montagne, Cyril; Hoang, Cam Thuy; Clarkson, Guy J.; Shipman, Michael","Lewis acid promoted intramolecular (3 + 2) 'cycloadditions' of methyleneaziridines with alkene and alkyne acceptors.","Organic & biomolecular chemistry","2012","10","5","1032","1039","10.1039/c1ob06578e","","","1.54184","CuKα","","0.0849","0.0746","","","0.2304","0.2554","","","","","","1.15","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152175","20.6692","0.0004","7.93121","0.00018","29.3363","0.0008","90","","90","","90","","4809.15","0.19","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C21 H14 Cl3 O P S4 -","- C21 H14 Cl3 O P S4 -","- C168 H112 Cl24 O8 P8 S32 -","8","2","","Wan, Jun-Hua; Fang, Wei-Fen; Li, Yi-Bao; Xiao, Xu-Qiong; Zhang, Li-Hong; Xu, Zheng; Peng, Jia-Jian; Lai, Guo-Qiao","Phosphole modified pentathienoacene: Synthesis, electronic properties and self-assembly.","Organic & biomolecular chemistry","2012","10","7","1459","1466","10.1039/c1ob06584j","","","0.71073","MoKα","","0.0737","0.0576","","","0.141","0.1509","","","","","","1.025","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7152176","5.4561","0.0002","7.8785","0.0003","14.0005","0.0007","90","","90.132","0.002","90","","601.82","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H11 Cl O2 -","- C15 H11 Cl O2 -","- C30 H22 Cl2 O4 -","2","1","","Allen, Joseph C.; Kociok-Köhn, Gabriele; Frost, Christopher G.","Rhodium-catalysed enantioselective synthesis of 4-arylchroman-2-ones.","Organic & biomolecular chemistry","2012","10","1","32","35","10.1039/c1ob06586f","","","0.71073","MoKα","","0.05","0.0377","","","0.0906","0.0975","","","","","","1.078","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152177","5.5511","0.0001","15.6885","0.0003","25.0161","0.0007","90","","90","","90","","2178.61","0.08","150","","150","","","","","","","","synthetic","4","P b c a","-P 2ac 2ab","61","","","","- C13 H9 Br N2 -","- C13 H9 Br N2 -","- C104 H72 Br8 N16 -","8","1","","Donohoe, Timothy J.; Kabeshov, Mikhail A.; Rathi, Akshat H.; Smith, Ian E. D.","Direct preparation of thiazoles, imidazoles, imidazopyridines and thiazolidines from alkenes.","Organic & biomolecular chemistry","2012","10","5","1093","1101","10.1039/c1ob06587d","","","0.71073","MoKα","","0.0875","0.0646","","0.1802","0.1629","0.1799","","","","","","0.9956","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152178","16.2188","0.0004","7.3588","0.0002","17.0482","0.0004","90","","104.047","0.0013","90","","1973.88","0.09","150","","150","","","","","","","","synthetic","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N2 S -","- C11 H10 N2 S -","- C88 H80 N16 S8 -","8","2","","Donohoe, Timothy J.; Kabeshov, Mikhail A.; Rathi, Akshat H.; Smith, Ian E. D.","Direct preparation of thiazoles, imidazoles, imidazopyridines and thiazolidines from alkenes.","Organic & biomolecular chemistry","2012","10","5","1093","1101","10.1039/c1ob06587d","","","0.71073","MoKα","","0.0568","0.0427","","0.1188","0.1061","0.1188","","","","","","0.928","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152179","5.135","0.0002","10.7533","0.0006","15.1732","0.0008","90","","94.763","0.003","90","","834.94","0.07","150","","150","","","","","","","","synthetic","4","P 1 21/a 1","-P 2yab","14","","","","- C7 H12 N2 S -","- C7 H12 N2 S -","- C28 H48 N8 S4 -","4","1","","Donohoe, Timothy J.; Kabeshov, Mikhail A.; Rathi, Akshat H.; Smith, Ian E. D.","Direct preparation of thiazoles, imidazoles, imidazopyridines and thiazolidines from alkenes.","Organic & biomolecular chemistry","2012","10","5","1093","1101","10.1039/c1ob06587d","","","0.71073","MoKα","","0.079","0.0623","","0.1829","0.1697","0.1829","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152180","8.935","0.0018","20.224","0.004","11.92","0.002","90","","108.98","0.03","90","","2036.9","0.8","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N5 O2 -","- C24 H21 N5 O2 -","- C96 H84 N20 O8 -","4","1","","Wang, Xiao-Rong; Xing, Juan; Yan, Cai-Xia; Cheng, Ying","The reaction of β-lactam carbenes with 3,6-dipyridyltetrazines: switch of reaction pathways by 2-pyridyl and 4-pyridyl substituents of tetrazines.","Organic & biomolecular chemistry","2012","10","5","970","977","10.1039/c1ob06595e","","","0.71073","MoKα","","0.0635","0.0502","","","0.125","0.1367","","","","","","1.116","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152181","9.926","0.002","10.434","0.002","10.832","0.002","105.94","0.03","101.26","0.03","102.67","0.03","1012.7","0.5","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 N5 O2 -","- C24 H21 N5 O2 -","- C48 H42 N10 O4 -","2","1","","Wang, Xiao-Rong; Xing, Juan; Yan, Cai-Xia; Cheng, Ying","The reaction of β-lactam carbenes with 3,6-dipyridyltetrazines: switch of reaction pathways by 2-pyridyl and 4-pyridyl substituents of tetrazines.","Organic & biomolecular chemistry","2012","10","5","970","977","10.1039/c1ob06595e","","","0.71073","MoKα","","0.0496","0.0359","","","0.0975","0.1036","","","","","","1.012","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152182","11.722","0.0017","11.809","0.0018","14.791","0.0018","96.802","0.008","93.368","0.002","119.634","0.009","1750.7","0.5","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C40.5 H44 N4 O4.5 -","- C40.5 H44 N4 O4.5 -","- C81 H88 N8 O9 -","2","1","","Wang, Xiao-Rong; Xing, Juan; Yan, Cai-Xia; Cheng, Ying","The reaction of β-lactam carbenes with 3,6-dipyridyltetrazines: switch of reaction pathways by 2-pyridyl and 4-pyridyl substituents of tetrazines.","Organic & biomolecular chemistry","2012","10","5","970","977","10.1039/c1ob06595e","","","0.71075","MoKα","","0.0748","0.0523","","","0.1545","0.1633","","","","","","1.045","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152183","9.31","0.004","12.038","0.003","27.103","0.007","90","","90","","90","","3037.5","1.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H37 B O3 P2 -","- C32 H37 B O3 P2 -","- C128 H148 B4 O12 P8 -","4","1","","Boyd, Derek R.; Bell, Mark; Dunne, Katherine S.; Kelly, Brian; Stevenson, Paul J.; Malone, John F.; Allen, Christopher C. R.","Chemoenzymatic synthesis of a mixed phosphine-phosphine oxide catalyst and its application to asymmetric allylation of aldehydes and hydrogenation of alkenes.","Organic & biomolecular chemistry","2012","10","7","1388","1395","10.1039/c1ob06599h","","","0.71073","MoKα","","0.1624","0.0699","","","0.1765","0.2326","","","","","","0.976","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152184","9.2092","0.001","13.6899","0.0014","14.6484","0.0016","90.884","0.003","99.028","0.003","103.338","0.003","1772.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H33 N11 O8 -","- C37 H33 N11 O8 -","- C74 H66 N22 O16 -","2","1","","Zhao, Huaiqing; Ong, Wei Qiang; Fang, Xiao; Zhou, Feng; Hii, Meng Ni; Li, Sam Fong Yau; Su, Haibin; Zeng, Huaqiang","Synthesis, structural investigation and computational modelling of water-binding aquafoldamers.","Organic & biomolecular chemistry","2012","10","6","1172","1180","10.1039/c1ob06609a","","","0.71073","MoKα","","0.0885","0.053","","","0.1169","0.1292","","","","","","0.961","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152185","7.037","0.004","12.336","0.006","13.346","0.007","76.67","0.009","76.633","0.009","83.431","0.009","1094.5","1","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H20 O4 -","- C31 H20 O4 -","- C62 H40 O8 -","2","1","","Gong, Jian; Xie, Fuchun; Ren, Wenming; Chen, Hong; Hu, Youhong","Domino reactions of 2-methyl chromones containing an electron withdrawing group with chromone-fused dienes.","Organic & biomolecular chemistry","2012","10","3","486","489","10.1039/c1ob06613g","","","0.71073","MoKα","","0.1658","0.0766","","","0.1881","0.2406","","","","","","0.901","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152186","11.3442","0.0011","19.983","0.0018","13.8952","0.0013","90","","99.66","0.003","90","","3105.3","0.5","","","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","8-(5-cyano-3-methyl-6-(1-methyl-1H-indol-3-yl)-1-phenyl-1H-pyrazolo [3,4-b]pyridin-4-yl)-1-naphthoic acid","","","- C37 H30 N6 O3 -","- C37 H30 N6 O3 -","- C148 H120 N24 O12 -","4","1","","Hao, Yan; Xu, Xiao-Ping; Chen, Tao; Zhao, Li-Li; Ji, Shun-Jun","Multicomponent approaches to 8-carboxylnaphthyl-functionalized pyrazolo[3,4-b]pyridine derivatives.","Organic & biomolecular chemistry","2012","10","4","724","728","10.1039/c1ob06624b","","","","","","0.1144","0.0789","","","0.1621","0.181","","","","","","1.15","","","","has coordinates","288218","2023-12-11","20:45:25",""
"7152187","11.6327","0.0011","11.6667","0.001","15.0995","0.0013","90","","104.81","0.004","90","","1981.2","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C46 H52 N6 S -","- C46 H52 N6 S -","- C92 H104 N12 S2 -","2","1","","Oh, Joong-Suk; Lee, Ji-Woong; Ryu, Tae Hee; Lee, Jae Heon; Song, Choong Eui","Self-association free bifunctional thiourea organocatalysts: synthesis of chiral α-amino acids via dynamic kinetic resolution of racemic azlactones.","Organic & biomolecular chemistry","2012","10","5","1052","1055","10.1039/c1ob06629c","","","0.71073","MoKα","","0.1018","0.0684","","","0.1819","0.2095","","","","","","1.026","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152188","5.812","0.0005","6.7788","0.0006","25.807","0.002","90","","90","","90","","1016.75","0.15","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 Br N O2 -","- C10 H12 Br N O2 -","- C40 H48 Br4 N4 O8 -","4","1","","Clerici, Paolo; Wennemers, Helma","Mono thiomalonates as thioester enolate equivalents‒enantioselective 1,4-addition reactions to nitroolefins under mild conditions.","Organic & biomolecular chemistry","2012","10","1","110","113","10.1039/c1ob06638b","","","0.71073","MoKα","","0.0412","0.0221","","0.0381","0.021","0.0205","","","","","","1.08","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152189","12.9848","0.0017","17.0304","0.0017","24.393","0.003","90","","90","","90","","5394.2","1.1","298","2","298","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C44 H70 Al2 Br2 Cl4 N2 O4 -","- C44 H70 Al2 Br2 Cl4 N2 O4 -","- C176 H280 Al8 Br8 Cl16 N8 O16 -","4","0.5","","Wang, Chubei; Xu, Chao; Tan, Xiaosong; Peng, Hao; He, Hongwu","The asymmetric synthesis of chiral cyclic α-hydroxy phosphonates and quaternary cyclic α-hydroxy phosphonates.","Organic & biomolecular chemistry","2012","10","8","1680","1685","10.1039/c1ob06669b","","","0.71073","MoKα","","0.0612","0.0424","","","0.0947","0.0997","","","","","","0.934","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152190","8.581","0.0018","9.4511","0.0019","18.265","0.004","90","","90","","90","","1481.3","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 Br N2 O -","- C16 H13 Br N2 O -","- C64 H52 Br4 N8 O4 -","4","1","","Huang, Long; Wei, Yin; Shi, Min","Asymmetric substitutions of O-Boc-protected Morita-Baylis-Hillman adducts with pyrrole and indole derivatives.","Organic & biomolecular chemistry","2012","10","7","1396","1405","10.1039/c1ob06671d","","","0.71073","MoKα","","0.0576","0.0407","","","0.1105","0.1216","","","","","","1.033","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152191","11.5434","0.0008","11.2906","0.0008","12.3029","0.0009","90","","107.608","0.002","90","","1528.34","0.19","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C68 H92 N4 O8 -","4","2","","Boobalan, Ramalingam; Chen, Chinpiao; Lee, Gene-Hsian","Camphor-based Schiff base ligand SBAIB: an enantioselective catalyst for addition of phenylacetylene to aldehydes.","Organic & biomolecular chemistry","2012","10","8","1625","1638","10.1039/c1ob06683h","","","0.71073","MoKα","","0.0684","0.053","","","0.1313","0.1417","","","","","","1.019","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152192","12.3538","0.0014","11.1227","0.0012","18.446","0.002","90","","91.746","0.001","90","","2533.4","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","compound 9","3-(Dimethylisopropylsilyl)biphenyl-2-yl]diphenylphosphine","","- C29 H31 O0.47 P Si -","- C29 H31 O0.471 P Si -","- C116 H124 O1.884 P4 Si4 -","4","1","","Lunazzi, Lodovico; Mancinelli, Michele; Mazzanti, Andrea; Lepri, Susan; Ruzziconi, Renzo; Schlosser, Manfred","Rotational barriers of biphenyls having heavy heteroatoms as ortho-substituents: experimental and theoretical determination of steric effects.","Organic & biomolecular chemistry","2012","10","9","1847","1855","10.1039/c1ob06688a","","","0.71073","MoKα","","0.0474","0.0413","","","0.1099","0.1161","","","","","","1.033","","","","has coordinates,has disorder","180307","2020-10-21","18:00:00",""
"7152193","12.3039","0.0019","11.128","0.0017","18.544","0.003","90","","91.632","0.002","90","","2538","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","compound 10","3-(Dimethylisopropylsilyl)biphenyl-2-yl]diphenylphosphine oxide","","- C29 H31 O P Si -","- C29 H31 O P Si -","- C116 H124 O4 P4 Si4 -","4","1","","Lunazzi, Lodovico; Mancinelli, Michele; Mazzanti, Andrea; Lepri, Susan; Ruzziconi, Renzo; Schlosser, Manfred","Rotational barriers of biphenyls having heavy heteroatoms as ortho-substituents: experimental and theoretical determination of steric effects.","Organic & biomolecular chemistry","2012","10","9","1847","1855","10.1039/c1ob06688a","","","0.71073","MoKα","","0.0474","0.0374","","","0.0974","0.1052","","","","","","1.039","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152194","9.681","0.003","12.864","0.004","14.899","0.005","90","","90","","90","","1855.5","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N3 O3 -","- C20 H25 N3 O3 -","- C80 H100 N12 O12 -","4","1","","Znabet, Anass; Blanken, Sara; Janssen, Elwin; de Kanter, Frans J. J.; Helliwell, Madeleine; Turner, Nicholas J.; Ruijter, Eelco; Orru, Romano V. A.","Stereoselective synthesis of N-aryl proline amides by biotransformation-Ugi-Smiles sequence.","Organic & biomolecular chemistry","2012","10","5","941","944","10.1039/c1ob06699d","","","0.71073","MoKα","","0.0711","0.0592","","","0.0941","0.097","","","","","","1.278","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152195","8.4693","0.0008","19.713","0.003","22.265","0.002","90","","90","","90","","3717.3","0.7","291.15","","291.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H33 N O2 -","- C22 H33 N O2 -","- C176 H264 N8 O16 -","8","1","","Liu, Xiao-Yu; Cheng, Hang; Li, Xiao-Huan; Chen, Qiao-Hong; Xu, Liang; Wang, Feng-Peng","Oxidative dearomatization/intramolecular Diels-Alder cycloaddition cascade for the syntheses of (±)-atisine and (±)-isoazitine.","Organic & biomolecular chemistry","2012","10","7","1411","1417","10.1039/c1ob06704d","","","1.5418","CuKα","","0.0584","0.0451","","","0.12","0.129","","","","","","1.041","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152196","17.0172","0.0003","8.60512","0.00013","28.3901","0.0005","90","","91.4359","0.0017","90","","4156","0.12","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 N2 O -","- C26 H26 N2 O -","- C208 H208 N16 O8 -","8","1","","Sharma, Ankit; Besnard, Céline; Guénée, Laure; Lacour, Jérôme","Asymmetric synthesis of ethano-Tröger bases using CuTC-catalyzed diazo decomposition reactions.","Organic & biomolecular chemistry","2012","10","5","966","969","10.1039/c1ob06751f","","","1.54184","CuKα","","0.0457","0.0406","","","0.1118","0.1174","","","","","","1.025","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152197","17.051","0.002","7.5405","0.0006","28.226","0.004","90","","93.201","0.01","90","","3623.4","0.7","220","","220","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 N2 O3 -","- C22 H24 N2 O3 -","- C176 H192 N16 O24 -","8","1","","Sharma, Ankit; Besnard, Céline; Guénée, Laure; Lacour, Jérôme","Asymmetric synthesis of ethano-Tröger bases using CuTC-catalyzed diazo decomposition reactions.","Organic & biomolecular chemistry","2012","10","5","966","969","10.1039/c1ob06751f","","","0.71073","MoKα","","0.0721","0.0667","","0.1015","0.1011","0.1015","","","","","","1.1573","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152198","14.113","0.006","14.919","0.005","19.801","0.005","90","","90","","90","","4169","2","200","","200","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H28 N2 O3 -","- C24 H28 N2 O3 -","- C192 H224 N16 O24 -","8","1","","Sharma, Ankit; Besnard, Céline; Guénée, Laure; Lacour, Jérôme","Asymmetric synthesis of ethano-Tröger bases using CuTC-catalyzed diazo decomposition reactions.","Organic & biomolecular chemistry","2012","10","5","966","969","10.1039/c1ob06751f","","","0.71073","MoKα","","0.0576","0.0561","","0.1193","0.1189","0.1193","","","","","","0.9975","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152199","6.5535","0.0005","10.9957","0.001","14.1615","0.0013","100.817","0.005","101.782","0.005","99.966","0.004","957.23","0.15","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H32 O3 Si -","- C16 H32 O3 Si -","- C32 H64 O6 Si2 -","2","1","","Totobenazara, Jane; Haroun, Heloua; Rémond, Julien; Adil, Karim; Dénès, Fabrice; Lebreton, Jacques; Gaulon-Nourry, Catherine; Gosselin, Pascal","Tandem Payne/Meinwald versus Meinwald rearrangements on the α-hydroxy- or α-silyloxy-spiro epoxide skeleton.","Organic & biomolecular chemistry","2012","10","3","502","505","10.1039/c1ob06776a","","","0.71073","MoKα","","0.0895","0.0499","","","0.1473","0.1825","","","","","","1.085","","","","has coordinates,has disorder","180307","2020-10-21","18:00:00",""
"7152200","39.763","0.009","7.0246","0.0013","19.471","0.004","90","","105.495","0.013","90","","5241","1.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H34 N2 O8 Si -","- C23 H34 N2 O8 Si -","- C184 H272 N16 O64 Si8 -","8","1","","Totobenazara, Jane; Haroun, Heloua; Rémond, Julien; Adil, Karim; Dénès, Fabrice; Lebreton, Jacques; Gaulon-Nourry, Catherine; Gosselin, Pascal","Tandem Payne/Meinwald versus Meinwald rearrangements on the α-hydroxy- or α-silyloxy-spiro epoxide skeleton.","Organic & biomolecular chemistry","2012","10","3","502","505","10.1039/c1ob06776a","","","0.71073","MoKα","","0.1646","0.0619","","","0.1619","0.2201","","","","","","1.027","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152201","10.02411","0.00005","10.34453","0.00006","20.23764","0.00011","90","","90","","90","","2098.54","0.02","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 F3 N2 O5 S -","- C22 H17 F3 N2 O5 S -","- C88 H68 F12 N8 O20 S4 -","4","1","","Levy, Jean-Noël; Latham, Christopher M.; Roisin, Loïc; Kandziora, Nadine; Di Fruscia, Paolo; White, Andrew J. P.; Woodward, Simon; Fuchter, Matthew J.","The design and synthesis of novel IBiox N-heterocyclic carbene ligands derived from substituted amino-indanols.","Organic & biomolecular chemistry","2012","10","3","512","515","10.1039/c1ob06780j","","","1.54184","CuKα","","0.0283","0.027","","","0.07","0.0709","","","","","","1.049","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152202","21.382","0.002","21.382","0.002","10.7536","0.001","90","","90","","120","","4257.8","0.7","173","2","173","2","","","","","","","","5","P 61","P 61","169","","","","- C32.33 H42.33 I N2 O2 -","- C23 H21 I N2 O2 -","- C138 H126 I6 N12 O12 -","6","1","","Levy, Jean-Noël; Latham, Christopher M.; Roisin, Loïc; Kandziora, Nadine; Di Fruscia, Paolo; White, Andrew J. P.; Woodward, Simon; Fuchter, Matthew J.","The design and synthesis of novel IBiox N-heterocyclic carbene ligands derived from substituted amino-indanols.","Organic & biomolecular chemistry","2012","10","3","512","515","10.1039/c1ob06780j","","","1.54184","CuKα","","0.16","0.0916","","","0.2924","0.3676","","","","","","1.065","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152203","8.31659","0.00011","20.0565","0.0002","17.4123","0.0002","90","","95.0536","0.0012","90","","2893.11","0.06","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H25 F3 N2 O5 S -","- C34 H25 F3 N2 O5 S -","- C136 H100 F12 N8 O20 S4 -","4","2","","Levy, Jean-Noël; Latham, Christopher M.; Roisin, Loïc; Kandziora, Nadine; Di Fruscia, Paolo; White, Andrew J. P.; Woodward, Simon; Fuchter, Matthew J.","The design and synthesis of novel IBiox N-heterocyclic carbene ligands derived from substituted amino-indanols.","Organic & biomolecular chemistry","2012","10","3","512","515","10.1039/c1ob06780j","","","1.54184","CuKα","","0.0445","0.0388","","","0.0979","0.1013","","","","","","1.015","","","","has coordinates,has disorder","180308","2020-10-21","18:00:00",""
"7152204","20.657","0.003","18.786","0.003","26.624","0.004","90","","97.992","0.005","90","","10231","3","113","2","113","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C72 H128.5 N20 O50.25 S8 -","- C72 H122 N20 O50.25 S8 -","- C288 H488 N80 O201 S32 -","4","1","","Guo, Dong-Sheng; Zhang, Hong-Qing; Ding, Fei; Liu, Yu","Thermodynamic origins of selective binding affinity between p-sulfonatocalix[4,5]arenes with biguanidiniums.","Organic & biomolecular chemistry","2012","10","8","1527","1536","10.1039/c2ob06313a","","","0.71075","MoKα","","0.1042","0.0881","","","0.212","0.2279","","","","","","1.068","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152205","15.129","0.003","12.14","0.002","33.206","0.007","90","","100.51","0.03","90","","5996","2","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H71 N10 O24.5 S4 -","- C48 H54 N10 O24.5 S4 -","- C192 H216 N40 O98 S16 -","4","1","","Guo, Dong-Sheng; Zhang, Hong-Qing; Ding, Fei; Liu, Yu","Thermodynamic origins of selective binding affinity between p-sulfonatocalix[4,5]arenes with biguanidiniums.","Organic & biomolecular chemistry","2012","10","8","1527","1536","10.1039/c2ob06313a","","","0.71073","MoKα","","0.1352","0.1116","","","0.2946","0.3058","","","","","","1.07","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152206","14.299","0.0017","20.408","0.002","22.893","0.002","90","","107.014","0.006","90","","6388.1","1.1","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H81.5 N12.5 O32 S5 -","- C45 H79.5 N12.5 O32 S5 -","- C180 H318 N50 O128 S20 -","4","1","","Guo, Dong-Sheng; Zhang, Hong-Qing; Ding, Fei; Liu, Yu","Thermodynamic origins of selective binding affinity between p-sulfonatocalix[4,5]arenes with biguanidiniums.","Organic & biomolecular chemistry","2012","10","8","1527","1536","10.1039/c2ob06313a","","","0.71075","MoKα","","0.0755","0.0655","","","0.1504","0.1559","","","","","","1.184","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152207","5.7098","0.0009","9.5517","0.0015","14.904","0.002","87.425","0.002","89.606","0.002","82.942","0.002","805.9","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C37 H39 N3 O6 -","- C37 H39 N3 O6 -","- C37 H39 N3 O6 -","1","1","","Kodama, Koichi; Kanno, Ayaka; Sekine, Eriko; Hirose, Takuji","Enantioseparation of 1-arylethanols via a supramolecular chiral host consisting of N-(2-naphthoyl)-l-aspartic acid and an achiral diamine.","Organic & biomolecular chemistry","2012","10","9","1877","1882","10.1039/c2ob06475h","","","0.71073","MoKα","","0.0592","0.0587","","","0.1544","0.1556","","","","","","1.034","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152208","5.66","0.002","9.583","0.004","15.456","0.006","94.113","0.005","92.683","0.005","96.361","0.005","829.8","0.6","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C38 H41 N3 O6 -","- C38 H41 N3 O6 -","- C38 H41 N3 O6 -","1","1","","Kodama, Koichi; Kanno, Ayaka; Sekine, Eriko; Hirose, Takuji","Enantioseparation of 1-arylethanols via a supramolecular chiral host consisting of N-(2-naphthoyl)-l-aspartic acid and an achiral diamine.","Organic & biomolecular chemistry","2012","10","9","1877","1882","10.1039/c2ob06475h","","","0.71073","MoKα","","0.0972","0.0863","","","0.2314","0.2513","","","","","","1.09","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152209","16.4826","0.0006","6.8123","0.0003","9.0139","0.0004","90","","90","","90","","1012.12","0.07","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C10 H11 N O5 -","- C10 H11 N O5 -","- C40 H44 N4 O20 -","4","1","","Gharpure, Santosh J.; Vijayasree, U.; Reddy, S. Raja Bhushan","Stereoselective synthesis and applications of nitrogen substituted donor-acceptor cyclopropanes (N-DACs) in the divergent synthesis of azacycles.","Organic & biomolecular chemistry","2012","10","9","1735","1738","10.1039/c2ob06591f","","","0.71073","MoKα","","0.039","0.0332","","","0.0847","0.0889","","","","","","1.051","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152210","7.9762","0.0006","8.4759","0.0005","11.3641","0.0009","83.948","0.003","80.632","0.003","73.019","0.002","723.61","0.09","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C29 H29 N O8 S2 -","- C29 H29 N O8 S2 -","- C29 H29 N O8 S2 -","1","1","","Gharpure, Santosh J.; Vijayasree, U.; Reddy, S. Raja Bhushan","Stereoselective synthesis and applications of nitrogen substituted donor-acceptor cyclopropanes (N-DACs) in the divergent synthesis of azacycles.","Organic & biomolecular chemistry","2012","10","9","1735","1738","10.1039/c2ob06591f","","","0.71073","MoKα","","0.0585","0.0471","","","0.1147","0.1246","","","","","","1.101","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152211","9.648","0.001","14.822","0.002","16.441","0.003","104.68","0.01","103.17","0.01","91.75","0.01","2204.8","0.6","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","(rac)-10a,10'a-bis(methylthio)octahydro-1H,1'H-5a,5'a-bidipyrrolo- [1,2-a:1',2'-d]pyrazine-5,5',10,10'(6H,6'H,10aH,10'aH)-tetraone","","- C22 H30.25 N4 O4.125 S2 -","- C22 H30.25 N4 O4.125 S2 -","- C88 H121 N16 O16.5 S8 -","4","2","","Ruff, Bettina M.; Zhong, Sabilla; Nieger, Martin; Bräse, Stefan","Thiolation of symmetrical and unsymmetrical diketopiperazines.","Organic & biomolecular chemistry","2012","10","5","935","940","10.1039/c2ob06663g","","","0.71073","MoKα","","0.1058","0.0583","","","0.1246","0.1458","","","","","","1.012","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152212","6.43","0.001","11.207","0.002","21.269","0.003","90","","90","","90","","1532.7","0.4","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","hexadecahydropyrazino[1,2-a:4,5-a']diindole-6,13-dione","","- C18 H26 N2 O2 -","- C18 H26 N2 O2 -","- C72 H104 N8 O8 -","4","1","","Ruff, Bettina M.; Zhong, Sabilla; Nieger, Martin; Bräse, Stefan","Thiolation of symmetrical and unsymmetrical diketopiperazines.","Organic & biomolecular chemistry","2012","10","5","935","940","10.1039/c2ob06663g","","","0.71073","MoKα","","0.1287","0.0779","","","0.1326","0.1481","","","","","","1.107","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152213","6.4416","0.0006","10.8045","0.0005","24.627","0.002","90","","90","","90","","1714","0.2","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","dodecahydro-6a,13a-epidithiopyrazino[1,2-a:4,5-a']diindole-6,13(1H,7H)-dione","","- C18 H24 N2 O2 S2 -","- C18 H24 N2 O2 S2 -","- C72 H96 N8 O8 S8 -","4","1","","Ruff, Bettina M.; Zhong, Sabilla; Nieger, Martin; Bräse, Stefan","Thiolation of symmetrical and unsymmetrical diketopiperazines.","Organic & biomolecular chemistry","2012","10","5","935","940","10.1039/c2ob06663g","","","0.71073","MoKα","","0.0454","0.0353","","","0.0712","0.0745","","","","","","1.07","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152214","9.1262","0.0009","9.6454","0.001","11.5103","0.0009","91.426","0.005","101.32","0.006","91.777","0.005","992.52","0.16","123","2","123","2","","","","","","","","5","P 1","P 1","1","","6a,13a-bis(methylthio)hexadecahydropyrazino[1,2-a:4,5-a']diindole-6,13-dione","","- C20 H30 N2 O2 S2 -","- C20 H30 N2 O2 S2 -","- C40 H60 N4 O4 S4 -","2","2","","Ruff, Bettina M.; Zhong, Sabilla; Nieger, Martin; Bräse, Stefan","Thiolation of symmetrical and unsymmetrical diketopiperazines.","Organic & biomolecular chemistry","2012","10","5","935","940","10.1039/c2ob06663g","","","0.71073","MoKα","","0.1323","0.1008","","","0.2044","0.2264","","","","","","1.166","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152215","17.1844","0.0013","7.3729","0.0005","10.8107","0.0008","90","","105.732","0.003","90","","1318.39","0.17","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5a,10a-bis(methylthio)octahydrodipyrrolo[1,2-a:1',2'-d]pyrazine-5,10-dione","","- C12 H18 N2 O2 S2 -","- C12 H18 N2 O2 S2 -","- C48 H72 N8 O8 S8 -","4","1","","Ruff, Bettina M.; Zhong, Sabilla; Nieger, Martin; Bräse, Stefan","Thiolation of symmetrical and unsymmetrical diketopiperazines.","Organic & biomolecular chemistry","2012","10","5","935","940","10.1039/c2ob06663g","","","0.71073","MoKα","","0.0588","0.0481","","","0.0985","0.1049","","","","","","1.138","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152216","11.4283","0.0001","17.1077","0.0002","19.3984","0.0002","90","","92.773","0.001","90","","3788.18","0.07","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","2,7-bis(benzyloxy)tetrahydro-5a,10a-epidithiodipyrrolo[1,2-a:1',2'-d]- pyrazine-5,10(1H,6H)-dione and 2,7-bis(benzyloxy)tetrahydro-5a,10a-epitrithiodipyrrolo[1,2-a:1',2'-d]- pyrazine-5,10(1H,6H)-dione in the ration 2.69:0.31","","- C74 H74 Cl6 N6 O12 S6.31 -","- C74 H74 Cl6 N6 O12 S6.309 -","- C148 H148 Cl12 N12 O24 S12.618 -","2","1","","Ruff, Bettina M.; Zhong, Sabilla; Nieger, Martin; Bräse, Stefan","Thiolation of symmetrical and unsymmetrical diketopiperazines.","Organic & biomolecular chemistry","2012","10","5","935","940","10.1039/c2ob06663g","","","0.71073","MoKα","","0.0833","0.0764","","","0.1791","0.1858","","","","","","1.031","","","","has coordinates,has disorder","180308","2020-10-21","18:00:00",""
"7152217","19.2441","0.001","19.2441","0.001","14.2264","0.0011","90","","90","","90","","5268.5","0.6","110","2","110","2","","","","","","","","4","I 41","I 4bw","80","","","","- C11 H18 N2 O3 -","- C11 H18 N2 O3 -","- C176 H288 N32 O48 -","16","2","","Fedoseyenko, Dmytro; Raghuraman, Arjun; Ko, Eunhwa; Burgess, Kevin","Omegatides: constrained analogs of peptide primary sequence.","Organic & biomolecular chemistry","2012","10","5","921","924","10.1039/c2ob06692k","","","0.71073","MoKα","","0.0613","0.0412","","","0.0915","0.1014","","","","","","1.013","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152218","5.6765","0.0004","10.5601","0.0009","15.2326","0.0011","80.631","0.007","85.199","0.005","75.014","0.005","869.46","0.12","110","2","110","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H28 N2 O3 -","- C17 H28 N2 O3 -","- C34 H56 N4 O6 -","2","2","","Fedoseyenko, Dmytro; Raghuraman, Arjun; Ko, Eunhwa; Burgess, Kevin","Omegatides: constrained analogs of peptide primary sequence.","Organic & biomolecular chemistry","2012","10","5","921","924","10.1039/c2ob06692k","","","1.54178","CuKα","","0.0424","0.0372","","","0.0902","0.0923","","","","","","1.01","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152219","13.1883","0.0006","6.5039","0.0003","14.5084","0.0007","90","","100.899","0.003","90","","1222.02","0.1","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H30 Cl3 N3 O4 -","- C20 H30 Cl3 N3 O4 -","- C40 H60 Cl6 N6 O8 -","2","1","","Fedoseyenko, Dmytro; Raghuraman, Arjun; Ko, Eunhwa; Burgess, Kevin","Omegatides: constrained analogs of peptide primary sequence.","Organic & biomolecular chemistry","2012","10","5","921","924","10.1039/c2ob06692k","","","1.54178","CuKα","","0.0393","0.033","","","0.0755","0.0773","","","","","","1.006","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152220","9.2865","0.0005","10.1783","0.0005","12.8619","0.0007","86.696","0.002","80.581","0.002","63.553","0.002","1073.65","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H29 N3 O8 -","- C16 H29 N3 O8 -","- C32 H58 N6 O16 -","2","1","","Ji, Cong-Bin; Liu, Yun-Lin; Zhao, Xiao-Li; Guo, Yin-Long; Wang, Hao-Yang; Zhou, Jian","Direct amination of α-substituted nitroacetates using di-tert-butyl azodicarboxylate catalyzed by Hatakeyama's catalyst β-ICD.","Organic & biomolecular chemistry","2012","10","6","1158","1161","10.1039/c2ob06746c","","","0.71073","MoKα","","0.0599","0.039","","","0.0952","0.1107","","","","","","1.027","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152221","9.466","0.002","15.214","0.006","16.716","0.005","64.8","0.03","76.56","0.02","74.57","0.02","2080.1","1.2","293","2","293","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C49 H56 O3 -","- C49 H56 O3 -","- C98 H112 O6 -","2","1","","Yucel, Baris; Sanli, Bahar; Akbulut, Huseyin; Ozbey, Suheyla; Benniston, Andrew C.","Colour-responsive fluorescent oxy radical sensors.","Organic & biomolecular chemistry","2012","10","9","1775","1784","10.1039/c2ob06825g","","x-ray","0.71073","MoKα","","0.2268","0.0806","","","0.2198","0.2864","","","","","","0.999","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152222","8.1332","0.001","12.8039","0.0015","23.181","0.003","86.488","0.002","85.393","0.002","84.635","0.002","2392.1","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H36 N2 -","- C30 H36 N2 -","- C120 H144 N8 -","4","2","","Curiel, David; Sánchez, Guzmán; Ramírez de Arellano, Carmen; Tárraga, Alberto; Molina, Pedro","Combined study of anion recognition by a carbazole-based neutral tripodal receptor in a competitive environment.","Organic & biomolecular chemistry","2012","10","9","1896","1904","10.1039/c2ob06868k","","","0.71073","MoKα","","0.1367","0.0861","","","0.14","0.1571","","","","","","1.111","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152223","9.3619","0.0019","10.083","0.002","10.655","0.002","87.11","0.03","82.02","0.03","88.24","0.03","994.5","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H23 N Si -","- C24 H23 N Si -","- C48 H46 N2 Si2 -","2","1","","Liang, Yun; Geng, Weizhi; Wei, Junnian; Ouyang, Kunbing; Xi, Zhenfeng","Palladium-catalyzed silyl C(sp(3))-H bond activation.","Organic & biomolecular chemistry","2012","10","8","1537","1542","10.1039/c2ob06941e","","","0.71073","MoKα","","0.1855","0.0664","","","0.1178","0.1398","","","","","","0.996","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152224","13.268","0.003","10.072","0.002","13.822","0.003","90","","91.6","0.03","90","","1846.4","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N Si -","- C23 H21 N Si -","- C92 H84 N4 Si4 -","4","1","","Liang, Yun; Geng, Weizhi; Wei, Junnian; Ouyang, Kunbing; Xi, Zhenfeng","Palladium-catalyzed silyl C(sp(3))-H bond activation.","Organic & biomolecular chemistry","2012","10","8","1537","1542","10.1039/c2ob06941e","","","0.71073","MoKα","","0.0965","0.0484","","","0.0865","0.0899","","","","","","1.004","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152225","12.4462","0.0002","13.975","0.0002","16.7998","0.0003","90","","110.205","0.002","90","","2742.27","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H22 Cl3 N3 O3 -","- C31 H22 Cl3 N3 O3 -","- C124 H88 Cl12 N12 O12 -","4","1","","Yin, Xiao-Gang; Liu, Xin-Yun; Hu, Zhi-Peng; Yan, Ming","Efficient synthesis of multicyclic spirooxindoles via a cascade Michael/Michael/oxa-Michael reaction of curcumins and isatylidene malononitriles.","Organic & biomolecular chemistry","2012","10","8","1506","1509","10.1039/c2ob06995d","","","1.54184","CuKα","","0.0581","0.0447","","","0.115","0.1269","","","","","","1.07","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152226","8.418","0.002","8.861","0.002","9.944","0.002","64.89","0.01","88.07","0.01","71.11","0.01","630.8","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H16 N2 O4 -","- C12 H16 N2 O4 -","- C24 H32 N4 O8 -","2","1","","Bodipati, Naganjaneyulu; Peddinti, Rama Krishna","Chemical generation of o-quinone monoimines for the rapid construction of 1,4-benzoxazine derivatives.","Organic & biomolecular chemistry","2012","10","10","1958","1961","10.1039/c2ob06681e","","","0.71073","MoKα","","0.0504","0.0474","","","0.1258","0.1295","","","","","","1.055","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152227","8.162","0.003","8.55","0.003","12.743","0.005","82.561","0.004","81.071","0.004","72.465","0.004","834.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 B F2 N3 -","- C20 H16 B F2 N3 -","- C40 H32 B2 F4 N6 -","2","1","","Zhang, Min; Hao, Erhong; Zhou, Jinyuan; Yu, Changjiang; Bai, Guifeng; Wang, Fengyun; Jiao, Lijuan","Synthesis of pyrrolyldipyrrinato BF(2) complexes by oxidative nucleophilic substitution of boron dipyrromethene with pyrrole.","Organic & biomolecular chemistry","2012","10","10","2139","2145","10.1039/c2ob06689k","","","0.71073","MoKα","","0.1195","0.1015","","","0.3297","0.3389","","","","","","1.074","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152228","10.0277","0.0007","17.2775","0.0012","11.1652","0.0008","90","","94.161","0.001","90","","1929.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 B F2 N3 -","- C22 H20 B F2 N3 -","- C88 H80 B4 F8 N12 -","4","1","","Zhang, Min; Hao, Erhong; Zhou, Jinyuan; Yu, Changjiang; Bai, Guifeng; Wang, Fengyun; Jiao, Lijuan","Synthesis of pyrrolyldipyrrinato BF(2) complexes by oxidative nucleophilic substitution of boron dipyrromethene with pyrrole.","Organic & biomolecular chemistry","2012","10","10","2139","2145","10.1039/c2ob06689k","","","0.71073","MoKα","","0.0684","0.0463","","","0.1624","0.1858","","","","","","1.08","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152229","36.086","0.017","13.768","0.007","7.995","0.004","90","","95.653","0.006","90","","3953","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 B F2 N3 O -","- C23 H20 B F2 N3 O -","- C184 H160 B8 F16 N24 O8 -","8","2","","Zhang, Min; Hao, Erhong; Zhou, Jinyuan; Yu, Changjiang; Bai, Guifeng; Wang, Fengyun; Jiao, Lijuan","Synthesis of pyrrolyldipyrrinato BF(2) complexes by oxidative nucleophilic substitution of boron dipyrromethene with pyrrole.","Organic & biomolecular chemistry","2012","10","10","2139","2145","10.1039/c2ob06689k","","","0.71073","MoKα","","0.315","0.2648","","","0.7374","0.7801","","","","","","1.097","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152230","9.481","0.006","12.32","0.008","17.351","0.011","70.679","0.008","80.779","0.009","83.598","0.009","1884","2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H21 N3 -","- C22 H21 N3 -","- C88 H84 N12 -","4","2","","Zhang, Min; Hao, Erhong; Zhou, Jinyuan; Yu, Changjiang; Bai, Guifeng; Wang, Fengyun; Jiao, Lijuan","Synthesis of pyrrolyldipyrrinato BF(2) complexes by oxidative nucleophilic substitution of boron dipyrromethene with pyrrole.","Organic & biomolecular chemistry","2012","10","10","2139","2145","10.1039/c2ob06689k","","","0.71073","MoKα","","0.228","0.1705","","","0.5341","0.5599","","","","","","1.085","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152231","11.934","0.002","14.466","0.003","12.536","0.002","90","","110.006","0.005","90","","2033.6","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 N O4 -","- C25 H23 N O4 -","- C100 H92 N4 O16 -","4","1","","Zhang, Xia; Ji, Jingjing; Zhu, Yingguang; Jing, Changcheng; Li, Ming; Hu, Wenhao","A highly diastereoselective three-component tandem 1,4-conjugated addition-cyclization reaction to multisubstituted pyrrolidines.","Organic & biomolecular chemistry","2012","10","10","2133","2138","10.1039/c2ob06760a","","","0.71073","MoKα","","0.0851","0.0605","","","0.149","0.1752","","","","","","1.081","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152232","20.4538","0.0012","25.3853","0.0015","19.2348","0.0012","90","","90.229","0.001","90","","9987.1","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H41 Cl3 F12 P4 -","- C49 H41 Cl3 F12 P4 -","- C392 H328 Cl24 F96 P32 -","8","2","","Das, Priyadip; Kesharwani, Manoj K.; Mandal, Amal K.; Suresh, Eringathodi; Ganguly, Bishwajit; Das, Amitava","An alternative approach: a highly selective dual responding fluoride sensor having active methylene group as binding site().","Organic & biomolecular chemistry","2012","10","11","2263","2271","10.1039/c2ob06815j","","","0.71073","MoKα","","0.209","0.1336","","","0.2789","0.318","","","","","","1.115","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152233","10.0392","0.0008","15.7261","0.0012","16.0211","0.0011","81.667","0.005","82.511","0.005","79.608","0.006","2447.5","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C65.07 H48.13 Cl0.14 O5 -","- C65 H48 Cl0.137 O5 -","- C130 H96 Cl0.274 O10 -","2","1","","Hu, Jian-Yong; Ni, Xin-Long; Feng, Xing; Era, Masanao; Elsegood, Mark R. J.; Teat, Simon J.; Yamato, Takehiko","Highly emissive hand-shaped π-conjugated alkynylpyrenes: Synthesis, structures, and photophysical properties.","Organic & biomolecular chemistry","2012","10","11","2255","2262","10.1039/c2ob06865f","","","0.7749","synchrotron","","0.1125","0.0723","","","0.1876","0.2097","","","","","","1.035","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152234","14.6967","0.0005","21.036","0.0007","23.8819","0.0009","90","","90","","90","","7383.3","0.4","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C66 H100 Ag2 F12 O16 P2 -","- C66 H100 Ag2 F12 O16 P2 -","- C264 H400 Ag8 F48 O64 P8 -","4","0.5","","Helttunen, Kaisa; Moridi, Negar; Shahgaldian, Patrick; Nissinen, Maija","Resorcinarene bis-crown silver complexes and their application as antibacterial Langmuir-Blodgett films.","Organic & biomolecular chemistry","2012","10","10","2019","2025","10.1039/c2ob06920b","","","1.54178","CuKα","","0.0705","0.0503","","","0.1358","0.1526","","","","","","1.029","","","","has coordinates,has disorder","180308","2020-10-21","18:00:00",""
"7152235","12.2817","0.0004","60.688","0.002","13.4217","0.0004","90","","97.516","0.002","90","","9917.9","0.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C98 H148 Ag D12 F6 O16 P -","- C98 H160 Ag F6 O16 P -","- C392 H640 Ag4 F24 O64 P4 -","4","1","","Helttunen, Kaisa; Moridi, Negar; Shahgaldian, Patrick; Nissinen, Maija","Resorcinarene bis-crown silver complexes and their application as antibacterial Langmuir-Blodgett films.","Organic & biomolecular chemistry","2012","10","10","2019","2025","10.1039/c2ob06920b","","","1.54178","CuKα","","0.1846","0.0976","","","0.2245","0.2794","","","","","","1.019","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152236","8.8875","0.0011","13.7511","0.0017","15.0665","0.0019","64.753","0.002","77.356","0.003","74.412","0.002","1592.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Cyclo-bis-(urea-3,6-dichlorocarbazole)[TBA-acetate]","","- C62 H90 Cl4 N8 O6 -","- C62 H92 Cl4 N8 O6 -","- C62 H92 Cl4 N8 O6 -","1","0.5","","Ahmed, Nisar; Suresh, Vangaru; Shirinfar, Bahareh; Geronimo, Inacrist; Bist, Amita; Hwang, In-Chul; Kim, Kwang S.","Fluorogenic sensing of CH(3)CO(2)(-) and H(2)PO(4)(-) by ditopic receptor through conformational change.","Organic & biomolecular chemistry","2012","10","10","2094","2100","10.1039/c2ob06994f","","","0.71073","MoKα","","0.1184","0.0641","","","0.1584","0.2103","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152237","13.644","0.003","15.163","0.003","16.546","0.004","84.368","0.004","78.777","0.004","72.6","0.004","3201.1","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Cyclo-bis-(urea-3,6-dichlorocarbazole)2[(n-Bu)4NCl]","","- C58 H86 Cl6 N8 O2 -","- C58 H86 Cl6 N8 O2 -","- C116 H172 Cl12 N16 O4 -","2","1","","Ahmed, Nisar; Suresh, Vangaru; Shirinfar, Bahareh; Geronimo, Inacrist; Bist, Amita; Hwang, In-Chul; Kim, Kwang S.","Fluorogenic sensing of CH(3)CO(2)(-) and H(2)PO(4)(-) by ditopic receptor through conformational change.","Organic & biomolecular chemistry","2012","10","10","2094","2100","10.1039/c2ob06994f","","","0.71073","MoKα","","0.237","0.0773","","","0.1903","0.2824","","","","","","0.955","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152238","16.5754","0.0005","16.5754","0.0005","7.5796","0.0005","90","","90","","120","","1803.45","0.14","100","","100","","","","","","","","","2","R 3 c :H","R 3 -2""c","161","sumanene","sumanene","","- C21 H12 -","- C21 H12 -","- C126 H72 -","6","0.333333","","Mebs, Stefan; Weber, Manuela; Luger, Peter; Schmidt, Bernd M.; Sakurai, Hidehiro; Higashibayashi, Shuhei; Onogi, Satoru; Lentz, Dieter","Experimental electron density of sumanene, a bowl-shaped fullerene fragment; comparison with the related corannulene hydrocarbon.","Organic & biomolecular chemistry","2012","10","11","2218","2222","10.1039/c2ob07040e","","","0.71073","MoKα","","0.031","0.022","","","","0.046","0.036","","","","","1.185","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152239","8.4011","0.0007","10.0557","0.0008","13.0329","0.0015","74.541","0.007","78.907","0.007","76.897","0.006","1023.28","0.17","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H30 N2 -","- C24 H30 N2 -","- C48 H60 N4 -","2","1","","Trinchera, Piera; Musio, Biagia; Degennaro, Leonardo; Moliterni, Anna; Falcicchio, Aurelia; Luisi, Renzo","One-pot preparation of piperazines by regioselective ring-opening of non-activated arylaziridines.","Organic & biomolecular chemistry","2012","10","10","1962","1965","10.1039/c2ob07099e","","","0.71073","MoKα","","0.1402","0.0585","","","0.1212","0.1511","","","","","","0.984","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152240","9.783","0.003","13.775","0.003","12.7176","0.0012","90","","90.574","0.018","90","","1713.7","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Cl2 N2 -","- C18 H20 Cl2 N2 -","- C72 H80 Cl8 N8 -","4","1","","Trinchera, Piera; Musio, Biagia; Degennaro, Leonardo; Moliterni, Anna; Falcicchio, Aurelia; Luisi, Renzo","One-pot preparation of piperazines by regioselective ring-opening of non-activated arylaziridines.","Organic & biomolecular chemistry","2012","10","10","1962","1965","10.1039/c2ob07099e","","","0.71073","MoKα","","0.2083","0.0594","","","0.0937","0.1287","","","","","","0.945","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152241","5.804","0.002","21.72","0.01","6.563","0.004","90","","113.508","0.004","90","","758.7","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H11 N -","- C9 H11 N -","- C36 H44 N4 -","4","1","","Trinchera, Piera; Musio, Biagia; Degennaro, Leonardo; Moliterni, Anna; Falcicchio, Aurelia; Luisi, Renzo","One-pot preparation of piperazines by regioselective ring-opening of non-activated arylaziridines.","Organic & biomolecular chemistry","2012","10","10","1962","1965","10.1039/c2ob07099e","","","0.71073","MoKα","","0.1601","0.1174","","","0.3181","0.3582","","","","","","1.061","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152242","7.0214","0.0002","12.5519","0.0005","14.2927","0.0005","93.591","0.002","92.24","0.002","103.988","0.002","1217.98","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","(Z)-((1-(4-bromophenyl)-4-(4-(tert-butyl)phenyl)but-1-en-3-yn- 1-yl)oxy)(tert-but","(Z)-((1-(4-bromophenyl)-4-(4-(tert-butyl)phenyl)but-1-en-3-yn-1-yl)oxy)(tert-butyl)dimethylsilane","","- C26 H33 Br O Si -","- C26 H33 Br O Si -","- C52 H66 Br2 O2 Si2 -","2","1","","Li, Yan; Wheeler, Kraig A.; Dembinski, Roman","Room temperature syntheses of entirely diverse substituted β-fluorofurans.","Organic & biomolecular chemistry","2012","10","12","2395","2408","10.1039/c1ob06693e","","","1.54178","CuKα","","0.0382","0.0352","","","0.0899","0.0967","","","","","","1.112","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152243","33.7073","0.0006","5.632","0.0001","14.5599","0.0003","90","","97.857","0.001","90","","2738.1","0.09","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","3-bromo-4-fluoro-2-(4-methylphenyl)-5-phenylfuran","3-bromo-4-fluoro-2-(4-methylphenyl)-5-phenylfuran","","- C17 H12 Br F O -","- C17 H12 Br F O -","- C136 H96 Br8 F8 O8 -","8","1","","Li, Yan; Wheeler, Kraig A.; Dembinski, Roman","Room temperature syntheses of entirely diverse substituted β-fluorofurans.","Organic & biomolecular chemistry","2012","10","12","2395","2408","10.1039/c1ob06693e","","","1.54178","CuKα","","0.0411","0.0342","","","0.0854","0.089","","","","","","1.098","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152244","13.0824","0.0006","5.1563","0.0002","26.5341","0.0012","90","","93.297","0.003","90","","1786.94","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-fluoro-5-(4-methylphenyl)-2-phenyl-4-(phenylethynyl)furan","3-fluoro-5-(4-methylphenyl)-2-phenyl-4-(phenylethynyl)furan","","- C25 H17 F O -","- C25 H17 F O -","- C100 H68 F4 O4 -","4","1","","Li, Yan; Wheeler, Kraig A.; Dembinski, Roman","Room temperature syntheses of entirely diverse substituted β-fluorofurans.","Organic & biomolecular chemistry","2012","10","12","2395","2408","10.1039/c1ob06693e","","","1.54178","CuKα","","0.0668","0.0384","","","0.0851","0.0962","","","","","","1.01","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152245","10.9716","0.0004","18.7546","0.0006","13.2194","0.0004","90","","101.595","0.003","90","","2664.62","0.15","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","rifampicin 1,1,1-trichloroethane solvate","","","- C47 H64 Cl6 N4 O12 -","- C47 H64 Cl6 N4 O12 -","- C94 H128 Cl12 N8 O24 -","2","1","","Pyta, Krystian; Przybylski, Piotr; Wicher, Barbara; Gdaniec, Maria; Stefańska, Joanna","Intramolecular proton transfer impact on antibacterial properties of ansamycin antibiotic rifampicin and its new amino analogues.","Organic & biomolecular chemistry","2012","10","12","2385","2388","10.1039/c2ob00008c","","","0.71073","MoKα","","0.0803","0.0538","","","0.1389","0.1652","","","","","","1.052","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152246","13.8494","0.0006","17.4243","0.0007","20.0324","0.0009","90","","90","","90","","4834.1","0.4","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","rifampicin methanol trisolvate dihydrate","","","- C45 H72 N4 O17 -","- C45 H72 N4 O17 -","- C180 H288 N16 O68 -","4","1","","Pyta, Krystian; Przybylski, Piotr; Wicher, Barbara; Gdaniec, Maria; Stefańska, Joanna","Intramolecular proton transfer impact on antibacterial properties of ansamycin antibiotic rifampicin and its new amino analogues.","Organic & biomolecular chemistry","2012","10","12","2385","2388","10.1039/c2ob00008c","","","0.71073","MoKα","","0.0476","0.04","","","0.0948","0.0996","","","","","","1.046","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152247","9.2035","0.0001","20.0206","0.0001","13.8049","0.0001","90","","103.152","0.001","90","","2476.96","0.04","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H68 Cl2 N2 O15 -","- C45 H67.99 Cl2.01 N2 O15 -","- C90 H135.98 Cl4.02 N4 O30 -","2","1","","Pyta, Krystian; Przybylski, Piotr; Wicher, Barbara; Gdaniec, Maria; Stefańska, Joanna","Intramolecular proton transfer impact on antibacterial properties of ansamycin antibiotic rifampicin and its new amino analogues.","Organic & biomolecular chemistry","2012","10","12","2385","2388","10.1039/c2ob00008c","","","1.54184","CuKα","","0.0472","0.0471","","","0.1382","0.1383","","","","","","1.058","","","","has coordinates,has disorder","180308","2020-10-21","18:00:00",""
"7152248","10.0612","0.001","18.1279","0.0019","17.8048","0.0018","90","","98.285","0.003","90","","3213.5","0.6","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C76 H34 Br8 F4 N4 -","- C76 H34 Br8 F4 N4 -","- C152 H68 Br16 F8 N8 -","2","1","","Jiang, Xiu-Zhao; Cai, Chen-Xin; Liu, Jin-Tao; Uno, Hidemitsu","Novel syntheses and properties of meso-tetraaryl-octabromo-tetranaphtho[2,3]porphyrins (Ar(4)Br(8)TNPs).","Organic & biomolecular chemistry","2012","10","15","3110","3115","10.1039/c2ob00041e","","","0.71073","MoKα","","0.0593","0.0474","","","0.1225","0.1317","","","","","","1.033","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152249","10.913","0.002","10.913","0.002","81.73","0.03","90","","90","","120","","8429","4","293","2","293","2","","","","","","","","3","P 65 2 2","P 65 2 (0 0 1)","179","(1R,2R,4S,5R,6R,8S,9R,10R,12S)-3,4,7,8,11,12-hexahydro-2,6,10- trihydroxy-1,5,9,13,13',14,14',15,15'-nonamethyl-1,4:5,8:9,12- trimethanotriphenylene x 2.5 H2O","(1R,2R,4S,5R,6R,8S,9R,10R,12S)-3,4,7,8,11,12-hexahydro-2,6,10-trihydroxy- 1,5,9,13,13',14,14',15,15'-nonamethyl-1,4:5,8:9,12-trimethanotriphenylene x 2.5 H2O","","- C30 H47 O5.5 -","- C30 H47 O5.5 -","- C360 H564 O66 -","12","1","","Fabris, Fabrizio; De Lucchi, Ottorino; Nardini, Ilaria; Crisma, Marco; Mazzanti, Andrea; Mason, Sax A.; Lemée-Cailleau, Marie-Hélène; Scaramuzzo, Francesca A.; Zonta, Cristiano","(+)-syn-Benzotriborneol an enantiopure C(3)-symmetric receptor for water.","Organic & biomolecular chemistry","2012","10","12","2464","2469","10.1039/c2ob06774a","","","1.54178","CuKα","","0.0645","0.0504","","","0.1316","0.1504","","","","","","1.084","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152250","10.8602","0.001","10.8602","0.001","81.052","0.01","90","","90","","120","","8278.9","1.5","20","2","20","2","","","","","","","","3","P 65 2 2","P 65 2 (0 0 1)","179","(1R,2R,4S,5R,6R,8S,9R,10R,12S)-3,4,7,8,11,12-hexahydro-2,6,10- trihydroxy-1,5,9,13,13',14,14',15,15'-nonamethyl-1,4:5,8:9,12- trimethanotriphenylene x 2.5 H2O","(1R,2R,4S,5R,6R,8S,9R,10R,12S)-3,4,7,8,11,12-hexahydro-2,6,10-trihydroxy- 1,5,9,13,13',14,14',15,15'-nonamethyl-1,4:5,8:9,12-trimethanotriphenylene x 2.5 H2O","","- C30 H47 O5.5 -","- C30 H46.73 O5.41 -","- C360 H560.76 O64.92 -","12","1","","Fabris, Fabrizio; De Lucchi, Ottorino; Nardini, Ilaria; Crisma, Marco; Mazzanti, Andrea; Mason, Sax A.; Lemée-Cailleau, Marie-Hélène; Scaramuzzo, Francesca A.; Zonta, Cristiano","(+)-syn-Benzotriborneol an enantiopure C(3)-symmetric receptor for water.","Organic & biomolecular chemistry","2012","10","12","2464","2469","10.1039/c2ob06774a","","neutron","1.4597","neutron","","0.0879","0.0795","","","0.1934","0.2032","","","","","","1.142","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152251","10.516","0.003","27.593","0.004","21.05","0.003","90","","97.919","0.003","90","","6050","2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-Leu-Val-Val-Ac6c-Leu-Val-Val-OMe","t-Butyloxycarbonyl-leucyl-valyl-valyl-(1-aminocyclohexan-1-oyl)-valyl- leucyl-valyl-valyl-methyl ester hemihydrate","","- C50 H90 N8 O11.5 -","- C50 H90 N8 O11.5 -","- C200 H360 N32 O46 -","4","2","","Chandrappa, Siddappa; Aravinda, Subrayashastry; Raghothama, Srinivasarao; Sonti, Rajesh; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Helix and hairpin nucleation in short peptides using centrally positioned conformationally constrained dipeptide segments.","Organic & biomolecular chemistry","2012","10","14","2815","2823","10.1039/c2ob06817f","","","0.71073","MoKα","","0.1204","0.0644","","","0.1573","0.1814","","","","","","0.976","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152252","11.312","0.004","19.868","0.006","28.099","0.009","90","","90","","90","","6315","4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Leu-Phe-Val-Ac6c-Val-Leu-Phe-Val-OMe","t-Butyloxycarbonyl-leucyl-phenylalanyl-valyl-(1-aminocyclohexan-1-oyl)-valyl- leucyl-phenylalanyl-valyl-methyl ester","","- C58 H90 N8 O11 -","- C58 H90 N8 O11 -","- C232 H360 N32 O44 -","4","1","","Chandrappa, Siddappa; Aravinda, Subrayashastry; Raghothama, Srinivasarao; Sonti, Rajesh; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Helix and hairpin nucleation in short peptides using centrally positioned conformationally constrained dipeptide segments.","Organic & biomolecular chemistry","2012","10","14","2815","2823","10.1039/c2ob06817f","","","0.71073","MoKα","","0.1279","0.0767","","","0.1619","0.1855","","","","","","1.075","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152253","19.837","0.001","15.2026","0.0008","6.3744","0.0004","90","","90","","90","","1922.35","0.18","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","1","","Saha, Pipas; Bhunia, Anup; Saikia, Anil K.","Synthesis of 2,3,5,6-tetrasubstituted tetrahydropyrans via (3,5)-oxonium-ene reaction.","Organic & biomolecular chemistry","2012","10","12","2470","2481","10.1039/c2ob06832j","","","0.71073","MoKα","","0.0856","0.0677","","","0.1644","0.1735","","","","","","0.943","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152254","8.9913","0.0007","19.6654","0.0014","11.4452","0.0009","90","","103.239","0.004","90","","1969.9","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 O4 -","- C23 H26 O4 -","- C92 H104 O16 -","4","1","","Saha, Pipas; Bhunia, Anup; Saikia, Anil K.","Synthesis of 2,3,5,6-tetrasubstituted tetrahydropyrans via (3,5)-oxonium-ene reaction.","Organic & biomolecular chemistry","2012","10","12","2470","2481","10.1039/c2ob06832j","","","0.71073","MoKα","","0.0923","0.0667","","","0.1815","0.1973","","","","","","1.064","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152255","12.0752","0.0003","15.397","0.0004","12.4647","0.0003","90","","104.391","0.001","90","","2244.74","0.1","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 O5 -","- C25 H28 O5 -","- C100 H112 O20 -","4","1","","Saha, Pipas; Bhunia, Anup; Saikia, Anil K.","Synthesis of 2,3,5,6-tetrasubstituted tetrahydropyrans via (3,5)-oxonium-ene reaction.","Organic & biomolecular chemistry","2012","10","12","2470","2481","10.1039/c2ob06832j","","","0.71073","MoKα","","0.0759","0.0615","","","0.1806","0.2203","","","","","","1.07","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152256","12.5282","0.0008","8.7884","0.0006","18.2013","0.0012","90","","94.582","0.002","90","","1997.6","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 O4 -","- C23 H26 O4 -","- C92 H104 O16 -","4","1","","Saha, Pipas; Bhunia, Anup; Saikia, Anil K.","Synthesis of 2,3,5,6-tetrasubstituted tetrahydropyrans via (3,5)-oxonium-ene reaction.","Organic & biomolecular chemistry","2012","10","12","2470","2481","10.1039/c2ob06832j","","","0.71073","MoKα","","0.0967","0.0613","","","0.1695","0.2108","","","","","","1.373","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152257","10.68181","0.0001","11.93226","0.00015","25.6913","0.0003","90","","93.4477","0.0009","90","","3268.64","0.06","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Pyreneacetyl-diethylglycyl-diethylglycinate para-nitrobenzyl ester","","- C37 H39 N3 O6 -","- C37 H39 N3 O6 -","- C148 H156 N12 O24 -","4","1","","Formaggio, Fernando; Crisma, Marco; Ballano, Gema; Peggion, Cristina; Venanzi, Mariano; Toniolo, Claudio","Novel peptide foldameric motifs: a step forward in our understanding of the fully-extended conformation/3(10)-helix coexistence.","Organic & biomolecular chemistry","2012","10","12","2413","2421","10.1039/c2ob06863j","","","1.54178","CuKα","","0.0591","0.0539","","","0.1549","0.1621","","","","","","1.032","","","","has coordinates,has disorder","180308","2020-10-21","18:00:00",""
"7152258","10.0556","0.0002","23.1736","0.0005","11.9038","0.0002","90","","98.01","0.002","90","","2746.81","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Pyreneacetyl-(Deg)5-O-pNO2Bzl","","- C55 H72 N6 O9 -","- C55 H72 N6 O9 -","- C110 H144 N12 O18 -","2","1","","Formaggio, Fernando; Crisma, Marco; Ballano, Gema; Peggion, Cristina; Venanzi, Mariano; Toniolo, Claudio","Novel peptide foldameric motifs: a step forward in our understanding of the fully-extended conformation/3(10)-helix coexistence.","Organic & biomolecular chemistry","2012","10","12","2413","2421","10.1039/c2ob06863j","","","1.54178","CuKα","","0.0705","0.0638","","","0.1774","0.188","","","","","","1.032","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152259","11.591","0.0008","12.462","0.0008","15.4573","0.0012","97.958","0.001","107.43","0.001","91.224","0.001","2105.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-Pyreneacetyl-(Aib)5-OtBu","","- C42 H55 N5 O7 -","- C42 H55 N5 O7 -","- C84 H110 N10 O14 -","2","1","","Formaggio, Fernando; Crisma, Marco; Ballano, Gema; Peggion, Cristina; Venanzi, Mariano; Toniolo, Claudio","Novel peptide foldameric motifs: a step forward in our understanding of the fully-extended conformation/3(10)-helix coexistence.","Organic & biomolecular chemistry","2012","10","12","2413","2421","10.1039/c2ob06863j","","","1.54178","CuKα","","0.0559","0.0537","","","0.1598","0.1638","","","","","","1.031","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152260","14.584","0.002","10.5609","0.0014","15.24","0.002","90","","109.665","0.002","90","","2210.4","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N7 O2 -","- C24 H24 N7 O2 -","- C96 H96 N28 O8 -","4","1","","Hui, Pramiti; Arif, Khaja Md; Chandrasekar, Rajadurai","Syntheses, optical and intramolecular magnetic properties of mono- and di-radicals based on nitronyl-nitroxide and oxoverdazyl groups appended to 2,6-bispyrazolylpyridine cores.","Organic & biomolecular chemistry","2012","10","12","2439","2446","10.1039/c2ob06875c","","","0.71073","MoKα","","0.1084","0.0651","","","0.1373","0.1542","","","","","","1.042","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152261","9.4536","0.0019","9.3865","0.0019","21.293","0.004","90","","100.03","0.03","90","","1860.6","0.7","112","2","112","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 F6 N3 O2 P -","- C19 H16 F6 N3 O2 P -","- C76 H64 F24 N12 O8 P4 -","4","1","","Banerjee, Swagata; Kitchen, Jonathan A.; Gunnlaugsson, Thorfinnur; Kelly, John M.","Synthesis and photophysical evaluation of a pyridinium 4-amino-1,8-naphthalimide derivative that upon intercalation displays preference for AT-rich double-stranded DNA.","Organic & biomolecular chemistry","2012","10","15","3033","3043","10.1039/c2ob06898b","","","0.71073","MoKα","","0.06","0.0548","","","0.1447","0.1512","","","","","","1.085","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152262","7.1563","0.001","8.3628","0.0012","10.5833","0.0015","90","","98.637","0.002","90","","626.19","0.15","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H19 N O7 -","- C11 H19 N O7 -","- C22 H38 N2 O14 -","2","1","","Chiou, Wen-Hua; Chen, Guei-Tang; Kao, Chien-Lun; Gao, Yu-Kai","Syntheses of (-)-pelletierine and (-)-homopipecolic acid.","Organic & biomolecular chemistry","2012","10","13","2518","2520","10.1039/c2ob06984a","","x-ray","0.71073","MoKα","","0.0353","0.0344","","","0.0965","0.0981","","","","","","1.063","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152263","11.257","0.002","5.2096","0.0009","22.234","0.004","90","","104.886","0.008","90","","1260.1","0.4","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O3 -","- C16 H14 O3 -","- C64 H56 O12 -","4","1","","Mitra, Prithiba; Shome, Brateen; Ranjan De, Saroj; Sarkar, Anindya; Mal, Dipakranjan","Stereoselective synthesis of hydroxy stilbenoids and styrenes by atom-efficient olefination with thiophthalides.","Organic & biomolecular chemistry","2012","10","14","2742","2752","10.1039/c2ob06991a","","x-ray","0.71073","MoKα","","0.0903","0.0611","","","0.1506","0.2047","","","","","","1.127","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152264","7.2317","0.0019","8.138","0.002","9.5","0.003","108.982","0.004","90.709","0.004","90.925","0.005","528.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 O2 S -","- C12 H12 O2 S -","- C24 H24 O4 S2 -","2","1","","Mitra, Prithiba; Shome, Brateen; Ranjan De, Saroj; Sarkar, Anindya; Mal, Dipakranjan","Stereoselective synthesis of hydroxy stilbenoids and styrenes by atom-efficient olefination with thiophthalides.","Organic & biomolecular chemistry","2012","10","14","2742","2752","10.1039/c2ob06991a","","","0.71073","MoKα","","0.1034","0.068","","","0.1494","0.2205","","","","","","1.161","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152265","19.0051","0.0004","11.4052","0.0002","15.91","0.0003","90","","109.528","0.001","90","","3250.23","0.11","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N O3 S -","- C17 H21 N O3 S -","- C136 H168 N8 O24 S8 -","8","2","","O'Brien, Matthew; Leach, Andrew; Armstrong, Roly J.; Chong, Keting; Sheridan, Ross","Furanyl cyclic amines: a diastereoselective synthesis of 2,6-syn-disubstituted piperidines under thermodynamic control.","Organic & biomolecular chemistry","2012","10","12","2392","2394","10.1039/c2ob07008a","","","0.71073","MoKα","","0.0955","0.0513","","","0.1013","0.1166","","","","","","1.013","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152266","13.5209","0.0009","16.5318","0.0012","41.077","0.003","90","","90","","90","","9181.7","1.1","293","2","293","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C55 H43 Cl2 N2 O2 P S -","- C55 H43 Cl2 N2 O2 P S -","- C440 H344 Cl16 N16 O16 P8 S8 -","8","1","","Yuan, Zhiliang; Mei, Liangyong; Wei, Yin; Shi, Min; Kattamuri, Padmanabha V.; McDowell, Patrick; Li, Guigen","Asymmetric catalytic Mannich-type reaction of hydrazones with difluoroenoxysilanes using imidazoline-anchored phosphine ligand-zinc(ii) complexes.","Organic & biomolecular chemistry","2012","10","13","2509","2513","10.1039/c2ob07022g","","","0.71073","MoKα","","0.065","0.0472","","","0.0976","0.1032","","","","","","0.909","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152267","12.249","0.004","5.5446","0.0019","16.208","0.006","90","","104.895","0.004","90","","1063.8","0.6","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H16 Br2 F2 N2 O2 -","- C22 H16 Br2 F2 N2 O2 -","- C44 H32 Br4 F4 N4 O4 -","2","1","","Yuan, Zhiliang; Mei, Liangyong; Wei, Yin; Shi, Min; Kattamuri, Padmanabha V.; McDowell, Patrick; Li, Guigen","Asymmetric catalytic Mannich-type reaction of hydrazones with difluoroenoxysilanes using imidazoline-anchored phosphine ligand-zinc(ii) complexes.","Organic & biomolecular chemistry","2012","10","13","2509","2513","10.1039/c2ob07022g","","","0.71073","MoKα","","0.0677","0.0519","","","0.1386","0.1486","","","","","","1.064","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152268","10.0579","0.0008","40.788","0.003","10.7646","0.0009","90","","101.688","0.004","90","","4324.5","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C90 H88 Cl6 N16 O11 -","- C90 H88 Cl6 N16 O11 -","- C180 H176 Cl12 N32 O22 -","2","0.5","","Bullough, Emma K.; Kilner, Colin A.; Little, Marc A.; Willans, Charlotte E.","Tetrakis(methylimidazole) and tetrakis(methylimidazolium) calix[4]arenes: competitive anion binding and deprotonation.","Organic & biomolecular chemistry","2012","10","14","2824","2829","10.1039/c2ob07025a","","","0.71073","MoKα","","0.0795","0.0488","","","0.0988","0.111","","","","","","1.031","","","","has coordinates,has disorder","180308","2020-10-21","18:00:00",""
"7152269","17.58","0.002","39.483","0.005","11.7189","0.0015","90","","130.147","0.004","90","","6217.7","1.4","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C26 H37.5 Br2 N4 O4 -","- C26 H37.5 Br2 N4 O4 -","- C208 H300 Br16 N32 O32 -","8","1","","Bullough, Emma K.; Kilner, Colin A.; Little, Marc A.; Willans, Charlotte E.","Tetrakis(methylimidazole) and tetrakis(methylimidazolium) calix[4]arenes: competitive anion binding and deprotonation.","Organic & biomolecular chemistry","2012","10","14","2824","2829","10.1039/c2ob07025a","","","0.71073","MoKα","","0.1115","0.0628","","","0.178","0.2041","","","","","","1.061","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152270","3.7806","0.0001","24.0853","0.0008","11.7506","0.0004","90","","97.413","0.002","90","","1061.03","0.06","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 N2 O -","- C14 H10 N2 O -","- C56 H40 N8 O4 -","4","1","","Iaroshenko, Viktor O.; Knepper, Ingo; Zahid, Muhammad; Kuzora, Rene; Dudkin, Sergii; Villinger, Alexander; Langer, Peter","Efficient [5 + 1]-strategy for the assembly of 1,8-naphthyridin-4(1H)-ones by domino amination/conjugate addition reactions of 1-(2-chloropyridin-3-yl)prop-2-yn-1-ones with amines.","Organic & biomolecular chemistry","2012","10","15","2955","2959","10.1039/c2ob07030h","","","0.71073","MoKα","","0.0631","0.0568","","","0.1375","0.1405","","","","","","1.065","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152271","7.0872","0.0002","17.7874","0.0005","25.4096","0.0006","90","","91.485","0.001","90","","3202.13","0.15","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 N2 O -","- C21 H16 N2 O -","- C168 H128 N16 O8 -","8","2","","Iaroshenko, Viktor O.; Knepper, Ingo; Zahid, Muhammad; Kuzora, Rene; Dudkin, Sergii; Villinger, Alexander; Langer, Peter","Efficient [5 + 1]-strategy for the assembly of 1,8-naphthyridin-4(1H)-ones by domino amination/conjugate addition reactions of 1-(2-chloropyridin-3-yl)prop-2-yn-1-ones with amines.","Organic & biomolecular chemistry","2012","10","15","2955","2959","10.1039/c2ob07030h","","","0.71073","MoKα","","0.0951","0.0546","","","0.1094","0.1237","","","","","","1.031","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152272","18.4597","0.0018","7.1537","0.0007","11.0986","0.0012","90","","98.355","0.006","90","","1450.1","0.3","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C17 H22 N2 O -","- C17 H22 N2 O -","- C68 H88 N8 O4 -","4","0.5","","Iaroshenko, Viktor O.; Knepper, Ingo; Zahid, Muhammad; Kuzora, Rene; Dudkin, Sergii; Villinger, Alexander; Langer, Peter","Efficient [5 + 1]-strategy for the assembly of 1,8-naphthyridin-4(1H)-ones by domino amination/conjugate addition reactions of 1-(2-chloropyridin-3-yl)prop-2-yn-1-ones with amines.","Organic & biomolecular chemistry","2012","10","15","2955","2959","10.1039/c2ob07030h","","","0.71073","MoKα","","0.0492","0.0419","","","0.1267","0.1332","","","","","","1.099","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152273","9.2174","0.0003","19.7268","0.0007","10.0151","0.0003","90","","110.322","0.002","90","","1707.69","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 Br N2 O -","- C20 H19 Br N2 O -","- C80 H76 Br4 N8 O4 -","4","1","","Iaroshenko, Viktor O.; Knepper, Ingo; Zahid, Muhammad; Kuzora, Rene; Dudkin, Sergii; Villinger, Alexander; Langer, Peter","Efficient [5 + 1]-strategy for the assembly of 1,8-naphthyridin-4(1H)-ones by domino amination/conjugate addition reactions of 1-(2-chloropyridin-3-yl)prop-2-yn-1-ones with amines.","Organic & biomolecular chemistry","2012","10","15","2955","2959","10.1039/c2ob07030h","","","0.71073","MoKα","","0.0556","0.0335","","","0.0724","0.0781","","","","","","1.077","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152274","11.4766","0.0008","3.8102","0.0002","25.7302","0.0016","90","","94.941","0.004","90","","1120.95","0.12","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Cl N O -","- C14 H8 Cl N O -","- C56 H32 Cl4 N4 O4 -","4","1","","Iaroshenko, Viktor O.; Knepper, Ingo; Zahid, Muhammad; Kuzora, Rene; Dudkin, Sergii; Villinger, Alexander; Langer, Peter","Efficient [5 + 1]-strategy for the assembly of 1,8-naphthyridin-4(1H)-ones by domino amination/conjugate addition reactions of 1-(2-chloropyridin-3-yl)prop-2-yn-1-ones with amines.","Organic & biomolecular chemistry","2012","10","15","2955","2959","10.1039/c2ob07030h","","","0.71073","MoKα","","0.0532","0.0364","","","0.0936","0.0991","","","","","","1.07","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152275","8.6083","0.0006","26.5181","0.0019","7.4938","0.0006","90","","98.838","0.004","90","","1690.3","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N2 O1.5 -","- C22 H19 N2 O1.5 -","- C88 H76 N8 O6 -","4","1","","Iaroshenko, Viktor O.; Knepper, Ingo; Zahid, Muhammad; Kuzora, Rene; Dudkin, Sergii; Villinger, Alexander; Langer, Peter","Efficient [5 + 1]-strategy for the assembly of 1,8-naphthyridin-4(1H)-ones by domino amination/conjugate addition reactions of 1-(2-chloropyridin-3-yl)prop-2-yn-1-ones with amines.","Organic & biomolecular chemistry","2012","10","15","2955","2959","10.1039/c2ob07030h","","","0.71073","MoKα","","0.0779","0.0475","","","0.1177","0.1286","","","","","","1.069","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152276","9.987","0.0004","10.6502","0.0004","11.9022","0.0005","94.557","0.002","114.488","0.002","93.883","0.002","1141.35","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 Cl N3 O2 -","- C27 H24 Cl N3 O2 -","- C54 H48 Cl2 N6 O4 -","2","1","","Iaroshenko, Viktor O.; Knepper, Ingo; Zahid, Muhammad; Kuzora, Rene; Dudkin, Sergii; Villinger, Alexander; Langer, Peter","Efficient [5 + 1]-strategy for the assembly of 1,8-naphthyridin-4(1H)-ones by domino amination/conjugate addition reactions of 1-(2-chloropyridin-3-yl)prop-2-yn-1-ones with amines.","Organic & biomolecular chemistry","2012","10","15","2955","2959","10.1039/c2ob07030h","","","0.71073","MoKα","","0.0757","0.0437","","","0.1074","0.116","","","","","","1.043","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152277","8.0156","0.0002","8.4956","0.0004","19.4087","0.001","90","","90","","90","","1321.68","0.1","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 O3 -","- C14 H22 O3 -","- C56 H88 O12 -","4","1","","Schäfer, Christian; Miesch, Michel; Miesch, Laurence","Intramolecular reductive ketone-alkynoate coupling reaction promoted by (η(2)-propene)titanium.","Organic & biomolecular chemistry","2012","10","16","3253","3257","10.1039/c2ob07049a","","","0.71073","MoKα","","0.0825","0.0693","","","0.1803","0.194","","","","","","1.153","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152278","8.3229","0.0004","11.3609","0.0005","11.8761","0.0003","90","","90","","90","","1122.95","0.08","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Schäfer, Christian; Miesch, Michel; Miesch, Laurence","Intramolecular reductive ketone-alkynoate coupling reaction promoted by (η(2)-propene)titanium.","Organic & biomolecular chemistry","2012","10","16","3253","3257","10.1039/c2ob07049a","","","0.71073","MoKα","","0.0442","0.0375","","","0.0911","0.0948","","","","","","1.071","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152279","7.2735","0.0003","9.0784","0.0002","21.1524","0.0008","90","","90","","90","","1396.73","0.08","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C60 H96 O12 -","4","1","","Schäfer, Christian; Miesch, Michel; Miesch, Laurence","Intramolecular reductive ketone-alkynoate coupling reaction promoted by (η(2)-propene)titanium.","Organic & biomolecular chemistry","2012","10","16","3253","3257","10.1039/c2ob07049a","","","0.71073","MoKα","","0.053","0.0457","","","0.1216","0.1291","","","","","","1.068","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152280","8.553","0.002","13.788","0.004","20.858","0.008","88.838","0.014","86.545","0.014","73.382","0.012","2352.7","1.3","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H50 B2 Cl3 F4 N7 O4 -","- C51 H50 B2 Cl3 F4 N7 O4 -","- C102 H100 B4 Cl6 F8 N14 O8 -","2","1","","Haketa, Yohei; Takayama, Mayumi; Maeda, Hiromitsu","Solid-state supramolecular assemblies consisting of planar charged species.","Organic & biomolecular chemistry","2012","10","13","2603","2606","10.1039/c2ob07059f","","","0.71075","MoKα","","0.0926","0.0649","","","0.1725","0.1949","","","","","","1.057","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7152281","8.341","0.003","12.445","0.006","20.303","0.008","79.279","0.015","85.683","0.013","80.571","0.015","2040.6","1.5","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H49 B Cl F6 N5 O2 -","- C45 H49 B Cl F6 N5 O2 -","- C90 H98 B2 Cl2 F12 N10 O4 -","2","1","","Haketa, Yohei; Takayama, Mayumi; Maeda, Hiromitsu","Solid-state supramolecular assemblies consisting of planar charged species.","Organic & biomolecular chemistry","2012","10","13","2603","2606","10.1039/c2ob07059f","","","0.71075","MoKα","","0.1019","0.0662","","","0.1902","0.2129","","","","","","1.109","","","","has coordinates,has disorder","180308","2020-10-21","18:00:00",""
"7152282","11.092","0.004","11.957","0.004","19.33","0.006","77.243","0.01","82.685","0.013","63.623","0.012","2238.8","1.3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H57 B Cl3 F2 N5 O2 -","- C48 H57 B Cl3 F2 N5 O2 -","- C96 H114 B2 Cl6 F4 N10 O4 -","2","1","","Haketa, Yohei; Takayama, Mayumi; Maeda, Hiromitsu","Solid-state supramolecular assemblies consisting of planar charged species.","Organic & biomolecular chemistry","2012","10","13","2603","2606","10.1039/c2ob07059f","","","0.71075","MoKα","","0.1207","0.0721","","","0.1711","0.1972","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152283","15.754","0.005","17.148","0.007","17.17","0.005","116.501","0.012","108.051","0.01","91.068","0.014","3879","2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H100 B2 Cl N7 O4 -","- C90 H103 B2 Cl N7 O4 -","- C180 H206 B4 Cl2 N14 O8 -","2","1","","Haketa, Yohei; Takayama, Mayumi; Maeda, Hiromitsu","Solid-state supramolecular assemblies consisting of planar charged species.","Organic & biomolecular chemistry","2012","10","13","2603","2606","10.1039/c2ob07059f","","","0.71075","MoKα","","0.1546","0.0778","","","0.2066","0.2435","","","","","","1.012","","","","has coordinates,has disorder","180308","2020-10-21","18:00:00",""
"7152284","5.7575","0.0003","10.4335","0.0005","14.3548","0.0007","74.944","0.001","84.193","0.001","77.533","0.001","812.14","0.07","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H22 N2 -","- C20 H22 N2 -","- C40 H44 N4 -","2","1","","Vervisch, Karel; D'hooghe, Matthias; Törnroos, Karl W; De Kimpe, Norbert","Radical-mediated nitrile translocation as the key step in the stereoselective transformation of 2-(4-chloro-2-cyanobutyl)aziridines to methyl cis-(1-arylmethyl-4-phenylpiperidin-2-yl)acetates.","Organic & biomolecular chemistry","2012","10","16","3308","3314","10.1039/c2ob07062f","","","0.71073","MoKα","","0.0516","0.0458","","","0.1246","0.1293","","","","","","1.05","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152285","9.5044","0.0003","11.9561","0.0004","17.0346","0.0006","103.13","0.001","91.678","0.001","105.355","0.001","1809.58","0.11","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H38 N6 O11 Zn2 -","- C33 H38 N6 O11 Zn2 -","- C66 H76 N12 O22 Zn4 -","2","1","","Mistri, Tarun; Dolai, Malay; Chakraborty, Debrup; Khuda-Bukhsh, Anisur Rahman; Das, Kalyan Kumar; Ali, Mahammad","A highly selective and sensitive in vivo fluorosensor for zinc(ii) without cytotoxicity.","Organic & biomolecular chemistry","2012","10","12","2380","2384","10.1039/c2ob07084g","","","0.71073","MoKα","","0.0399","0.0306","","","0.0936","0.1096","","","","","","0.563","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152286","6.64749","0.00014","13.2825","0.0003","33.3205","0.0007","90","","90","","90","","2942.04","0.11","173.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 Br2 N2 O9 -","- C29 H26 Br2 N2 O9 -","- C116 H104 Br8 N8 O36 -","4","1","","Komatsu, Yoshiyuki; Watanabe, Riki; Ikishima, Hideaki; Nakano, Keiji; Ichikawa, Yoshiyasu; Kotsuki, Hiyoshizo","Aminohydroxyacetone synthons: versatile intermediates for the organocatalytic asymmetric aldol reaction.","Organic & biomolecular chemistry","2012","10","15","2993","3001","10.1039/c2ob07107j","","","1.54187","CuKα","","","0.0592","","","","0.0723","","","","","","5.036","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152287","24.115","0.003","10.4602","0.0011","15.5022","0.0017","90","","95.746","0.002","90","","3890.7","0.8","133","2","133","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 O6 -","- C22 H22 O6 -","- C176 H176 O48 -","8","1","","Li, Ende; Yao, Wenjun; Xie, Xin; Wang, Chengyu; Shao, Yushang; Li, Yanzhong","Gold-catalyzed efficient synthesis of 2,4-disubstituted furans from aryloxy-enynes.","Organic & biomolecular chemistry","2012","10","15","2960","2965","10.1039/c2ob07173h","","","0.71073","MoKα","","0.0453","0.0373","","","0.1052","0.1127","","","","","","1.007","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152288","9.225","0.002","12.144","0.003","14.886","0.004","74.73","0.01","78.29","0.02","83.99","0.04","1573","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","p-nitrophenyl-amino-ethylene-amido-rhodamine","","","- C36 H39 N5 O4 -","- C36 H39 N5 O4 -","- C72 H78 N10 O8 -","2","1","","Bag, Bamaprasad; Biswal, Biswonath","Alteration of selectivity in rhodamine based probes for Fe(iii) and Hg(ii) ion induced dual mode signalling responses.","Organic & biomolecular chemistry","2012","10","14","2733","2738","10.1039/c2ob07182g","","","0.71073","MoKα","","0.0811","0.0578","","","0.1632","0.1844","","","","","","1.046","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152289","13.4805","0.0004","20.3239","0.0006","24.982","0.0007","90","","90","","90","","6844.5","0.3","203","","203","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C105 H152 F18 N8 O43 Pd4 S6 Sm2 -","- C105 H144 F18 N8 O43 Pd4 S6 Sm2 -","- C210 H288 F36 N16 O86 Pd8 S12 Sm4 -","2","0.5","","Zhang, Guoqi","A heterotrimetallic Pd-Sm-Pd complex for asymmetric Friedel-Crafts alkylations of pyrroles with nitroalkenes.","Organic & biomolecular chemistry","2012","10","13","2534","2536","10.1039/c2ob25074h","","","0.71073","MoKα","","0.0973","0.0553","","0.0739","0.0549","0.0549","","","","","","1.0093","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152290","12.556","0.002","14.418","0.003","13.45","0.002","90","","101.806","0.003","90","","2383.4","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 F2 O3 -","- C13 H14 F2 O3 -","- C104 H112 F16 O24 -","8","2","","Fornalczyk, Michal; Singh, Kuldip; Stuart, Alison M.","Enantioselective Reformatsky reaction of ethyl iododifluoroacetate with ketones.","Organic & biomolecular chemistry","2012","10","16","3332","3342","10.1039/c2ob25081k","","","0.71073","MoKα","","0.0894","0.0574","","","0.1198","0.1317","","","","","","1.055","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152291","10.052","0.002","7.8441","0.0018","17.153","0.004","90","","106.959","0.003","90","","1293.7","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 F2 O3 -","- C13 H16 F2 O3 -","- C52 H64 F8 O12 -","4","1","","Fornalczyk, Michal; Singh, Kuldip; Stuart, Alison M.","Enantioselective Reformatsky reaction of ethyl iododifluoroacetate with ketones.","Organic & biomolecular chemistry","2012","10","16","3332","3342","10.1039/c2ob25081k","","","0.71073","MoKα","","0.0994","0.0622","","","0.133","0.1463","","","","","","1.086","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152292","7.046","0.003","16.235","0.007","24.642","0.011","90","","90","","90","","2819","2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H18 F2 O3 -","- C14 H18 F2 O3 -","- C112 H144 F16 O24 -","8","1","","Fornalczyk, Michal; Singh, Kuldip; Stuart, Alison M.","Enantioselective Reformatsky reaction of ethyl iododifluoroacetate with ketones.","Organic & biomolecular chemistry","2012","10","16","3332","3342","10.1039/c2ob25081k","","","0.71073","MoKα","","0.0712","0.0498","","","0.1087","0.1184","","","","","","1.042","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152293","7.953","0.003","20.19","0.008","9.179","0.004","90","","93.291","0.009","90","","1471.5","1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 F2 O3 -","- C15 H20 F2 O3 -","- C60 H80 F8 O12 -","4","1","","Fornalczyk, Michal; Singh, Kuldip; Stuart, Alison M.","Enantioselective Reformatsky reaction of ethyl iododifluoroacetate with ketones.","Organic & biomolecular chemistry","2012","10","16","3332","3342","10.1039/c2ob25081k","","","0.71073","MoKα","","0.2035","0.0886","","","0.1417","0.1847","","","","","","0.846","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152294","8.402","0.003","9.71","0.004","19.088","0.007","90","","90","","90","","1557.3","1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 F2 N O2 -","- C18 H19 F2 N O2 -","- C72 H76 F8 N4 O8 -","4","1","","Fornalczyk, Michal; Singh, Kuldip; Stuart, Alison M.","Enantioselective Reformatsky reaction of ethyl iododifluoroacetate with ketones.","Organic & biomolecular chemistry","2012","10","16","3332","3342","10.1039/c2ob25081k","","","0.71073","MoKα","","0.0692","0.0512","","","0.0862","0.0919","","","","","","0.912","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152295","8.8405","0.0017","9.7476","0.0019","19.684","0.004","90","","90","","90","","1696.2","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 F2 N O2 -","- C19 H21 F2 N O2 -","- C76 H84 F8 N4 O8 -","4","1","","Fornalczyk, Michal; Singh, Kuldip; Stuart, Alison M.","Enantioselective Reformatsky reaction of ethyl iododifluoroacetate with ketones.","Organic & biomolecular chemistry","2012","10","16","3332","3342","10.1039/c2ob25081k","","","0.71073","MoKα","","0.0603","0.0497","","","0.0995","0.1055","","","","","","1.007","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152296","8.5802","0.0018","9.972","0.002","19.406","0.004","90","","90","","90","","1660.4","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 F2 N O2 -","- C20 H21 F2 N O2 -","- C80 H84 F8 N4 O8 -","4","1","","Fornalczyk, Michal; Singh, Kuldip; Stuart, Alison M.","Enantioselective Reformatsky reaction of ethyl iododifluoroacetate with ketones.","Organic & biomolecular chemistry","2012","10","16","3332","3342","10.1039/c2ob25081k","","","0.71073","MoKα","","0.0477","0.0421","","","0.0954","0.0981","","","","","","1.034","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152297","10.9353","0.0015","12.0352","0.0017","12.4875","0.0017","73.716","0.001","67.727","0.001","83.617","0.001","1459.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H30 Br N O3 -","- C37 H32 Br N O3 -","- C74 H64 Br2 N2 O6 -","2","1","","Kogiso, Toshitaka; Yamamoto, Kosuke; Suemune, Hiroshi; Usui, Kazuteru","Synthesis and characterization of 1,8-naphthalimide with [6]helicene skeleton.","Organic & biomolecular chemistry","2012","10","15","2934","2936","10.1039/c2ob25223f","","","0.71073","MoKα","","0.0527","0.0506","","","0.1526","0.1542","","","","","","1.067","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152298","10.8355","0.0004","12.6814","0.0005","24.4115","0.0008","90","","94.018","0.002","90","","3346.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H41 N3 O4 S2 -","- C36.006 H41.015 N3 O4 S2 -","- C144.024 H164.06 N12 O16 S8 -","4","1","","Namitharan, Kayambu; Pitchumani, Kasi","Cascade synthesis of bis-N-sulfonylcyclobutenes via Cu(i)/Lewis acid-catalyzed (3 + 2)/(2 + 2) cycloadditions: observation of aggregation-induced emission enhancement from restricted C[double bond, length as m-dash]N photoisomerization.","Organic & biomolecular chemistry","2012","10","15","2937","2941","10.1039/c2ob25226k","","","0.71073","MoKα","","0.0834","0.0456","","","0.1247","0.1574","","","","","","1.023","","","","has coordinates,has disorder","180308","2020-10-21","18:00:00",""
"7152299","7.298","0.0015","13.566","0.003","17.045","0.003","90","","90","","90","","1687.5","0.6","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 O5 -","- C20 H18 O5 -","- C80 H72 O20 -","4","1","","Mijangos, Marco V.; González-Marrero, Joaquin; Miranda, Luis D.; Vincent-Ruz, Paulette; Lujan-Montelongo, Armando; Olivera-Díaz, Diana; Bautista, Elhiu; Ortega, Alfredo; de la Luz Campos-González, María; Gamez-Montaño, Rocio","Microwave-assisted C-3 selective oxidative radical alkylation of flavones.","Organic & biomolecular chemistry","2012","10","15","2946","2949","10.1039/c2ob25249j","","","0.71073","MoKα","","0.1069","0.051","","","0.0969","0.1156","","","","","","1","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152300","8.107","0.0011","12.105","0.0016","11.6138","0.0016","90","","101.055","0.002","90","","1118.6","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 Br N O6 -","- C22 H26 Br N O6 -","- C44 H52 Br2 N2 O12 -","2","1","","Xiao, Hua; Chai, Zhuo; Cao, Dongdong; Wang, Hongyu; Chen, Jinghao; Zhao, Gang","Highly enantioselective [4 + 2] cycloadditions of allenoates and dual activated olefins catalyzed by N-acyl aminophosphines.","Organic & biomolecular chemistry","2012","10","16","3195","3201","10.1039/c2ob25295c","","","0.71073","MoKα","","0.0745","0.0553","","","0.1301","0.1386","","","","","","0.92","","","","has coordinates,has disorder","180309","2020-10-21","18:00:00",""
"7152301","7.366","0.0004","9.0252","0.0005","10.1518","0.0005","84.572","0.002","88.905","0.002","89.911","0.002","671.74","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C34 H26 N2 O6 -","2","1","","Zhou, Feng; Ding, Miao; Zhou, Jian","A catalytic metal-free Ritter reaction to 3-substituted 3-aminooxindoles.","Organic & biomolecular chemistry","2012","10","16","3178","3181","10.1039/c2ob25319d","","","0.71073","MoKα","","0.0554","0.0453","","","0.129","0.1378","","","","","","1.093","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152302","8.4697","0.0001","10.1103","0.0001","13.868","0.0001","90","","90","","90","","1187.53","0.02","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H17 N O6 -","- C10 H17 N O6 -","- C40 H68 N4 O24 -","4","1","","Angelov, Plamen; Chau, Yui Kwan Sonia; Fryer, Paul J.; Moloney, Mark G.; Thompson, Amber L.; Trippier, Paul C.","Biomimetic synthesis, antibacterial activity and structure-activity properties of the pyroglutamate core of oxazolomycin.","Organic & biomolecular chemistry","2012","10","17","3472","3485","10.1039/c2ob00042c","","","1.5418","CuKα","","0.0226","0.0224","","0.0608","0.0607","0.0608","","","","","","0.9946","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152303","9.7787","0.0004","10.1274","0.0003","9.7756","0.0003","90","","108.505","0.004","90","","918.05","0.06","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H23 N O7 -","- C18 H23 N O7 -","- C36 H46 N2 O14 -","2","1","","Angelov, Plamen; Chau, Yui Kwan Sonia; Fryer, Paul J.; Moloney, Mark G.; Thompson, Amber L.; Trippier, Paul C.","Biomimetic synthesis, antibacterial activity and structure-activity properties of the pyroglutamate core of oxazolomycin.","Organic & biomolecular chemistry","2012","10","17","3472","3485","10.1039/c2ob00042c","","","1.5418","CuKα","","0.0438","0.0371","","0.091","0.0865","0.091","","","","","","0.9889","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152304","7.0008","0.0002","9.0561","0.0002","24.0388","0.0005","90","","90","","90","","1524.06","0.06","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C8 H10 O4 -","- C8 H10 O4 -","- C64 H80 O32 -","8","1","","Naud, Sébastien; Macnaughton, Sarah J.; Dyson, Bryony S.; Woollaston, Daniel J.; Dallimore, Jonathan W. P.; Robertson, Jeremy","Conformational preferences of oxy-substituents in butenolide-tetrahydropyran spiroacetals and butenolide-piperidine spiro-N,O-acetals.","Organic & biomolecular chemistry","2012","10","17","3506","3518","10.1039/c2ob06849d","","","0.71073","MoKα","","0.0536","0.0363","","0.102","0.0972","0.102","","","","","","1.0222","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152305","7.5","0.0003","6.0089","0.0002","17.9334","0.0007","90","","94.8761","0.0015","90","","805.28","0.05","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 O4 -","- C8 H10 O4 -","- C32 H40 O16 -","4","1","","Naud, Sébastien; Macnaughton, Sarah J.; Dyson, Bryony S.; Woollaston, Daniel J.; Dallimore, Jonathan W. P.; Robertson, Jeremy","Conformational preferences of oxy-substituents in butenolide-tetrahydropyran spiroacetals and butenolide-piperidine spiro-N,O-acetals.","Organic & biomolecular chemistry","2012","10","17","3506","3518","10.1039/c2ob06849d","","","0.71073","MoKα","","0.061","0.0484","","0.167","0.1581","0.167","","","","","","1.2426","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152306","10.7984","0.0002","14.414","0.0003","18.7238","0.0003","90","","104.773","0.0019","90","","2817.98","0.09","243","","243","","","","","","","","see text","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 N2 -","- C34 H40 N2 -","- C136 H160 N8 -","4","1","","Mitkina, Tatiana; Stanglmair, Christoph; Setzer, Wolfgang; Gruber, Michael; Kisch, Horst; König, Burkhard","Visible light mediated homo- and heterocoupling of benzyl alcohols and benzyl amines on polycrystalline cadmium sulfide.","Organic & biomolecular chemistry","2012","10","17","3556","3561","10.1039/c2ob07053g","","x-ray","1.54184","CuKα","","0.061","0.0535","","","0.1576","0.1659","","","","","","1.052","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152307","8.3183","0.0002","25.3594","0.0006","10.8216","0.0002","90","","90.076","0.002","90","","2282.78","0.09","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 O5 -","- C30 H24 O5 -","- C120 H96 O20 -","4","1","","Zhu, Shugao; Wu, Luling; Huang, Xian","Palladium(0)-catalyzed cyclization of 1,6-diyn-3-yl carbonates with a nucleophilic functionality: efficient synthesis of polycyclic benzo[b]fluorene derivatives via allene intermediates.","Organic & biomolecular chemistry","2012","10","18","3696","3704","10.1039/c2ob07148g","","","0.71073","MoKα","","0.0555","0.0407","","","0.0976","0.1083","","","","","","0.878","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152308","15.678","0.0006","9.3043","0.0006","30.2382","0.0013","90","","104.663","0.002","90","","4267.3","0.4","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 N2 O6 -","- C26 H22 N2 O6 -","- C208 H176 N16 O48 -","8","1","","Wu, Dong-Dong; He, Ming-Tao; Liu, Qi-Di; Wang, Wei; Zhou, Jie; Wang, Lei; Fun, Hoong-Kun; Xu, Jian-Hua; Zhang, Yan","Photoinduced reactions of bicycloalkylidenes with isatin and isoquinolinetrione.","Organic & biomolecular chemistry","2012","10","18","3626","3635","10.1039/c2ob07158d","","","0.71073","MoKα","","0.0503","0.0412","","","0.1113","0.1188","","","","","","1.032","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152309","5.1915","0.0001","12.1482","0.0003","20.353","0.0004","90","","91.797","0.001","90","","1282.98","0.05","296","2","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C60 H60 N4 O12 -","4","2","","Wu, Dong-Dong; He, Ming-Tao; Liu, Qi-Di; Wang, Wei; Zhou, Jie; Wang, Lei; Fun, Hoong-Kun; Xu, Jian-Hua; Zhang, Yan","Photoinduced reactions of bicycloalkylidenes with isatin and isoquinolinetrione.","Organic & biomolecular chemistry","2012","10","18","3626","3635","10.1039/c2ob07158d","","","0.71073","MoKα","","0.056","0.0381","","","0.0858","0.0938","","","","","","1.043","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152310","9.2089","0.0002","15.1611","0.0004","12.0162","0.0002","90","","124.926","0.001","90","","1375.51","0.05","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C64 H60 N4 O16 -","4","1","","Wu, Dong-Dong; He, Ming-Tao; Liu, Qi-Di; Wang, Wei; Zhou, Jie; Wang, Lei; Fun, Hoong-Kun; Xu, Jian-Hua; Zhang, Yan","Photoinduced reactions of bicycloalkylidenes with isatin and isoquinolinetrione.","Organic & biomolecular chemistry","2012","10","18","3626","3635","10.1039/c2ob07158d","","","0.71073","MoKα","","0.0537","0.0445","","","0.1219","0.1286","","","","","","1.036","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152311","13.2402","0.0004","8.7479","0.0002","19.2827","0.0005","90","","123.821","0.002","90","","1855.46","0.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 N O4 -","- C22 H27 N O4 -","- C88 H108 N4 O16 -","4","1","","Wu, Dong-Dong; He, Ming-Tao; Liu, Qi-Di; Wang, Wei; Zhou, Jie; Wang, Lei; Fun, Hoong-Kun; Xu, Jian-Hua; Zhang, Yan","Photoinduced reactions of bicycloalkylidenes with isatin and isoquinolinetrione.","Organic & biomolecular chemistry","2012","10","18","3626","3635","10.1039/c2ob07158d","","","0.71073","MoKα","","0.0884","0.0586","","","0.1126","0.124","","","","","","1.067","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152312","9.0404","0.0002","9.9839","0.0003","10.8814","0.0003","90.88","0.001","103.859","0.001","111.082","0.001","884.12","0.04","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H27 N O3 -","- C22 H27 N O3 -","- C44 H54 N2 O6 -","2","1","","Wu, Dong-Dong; He, Ming-Tao; Liu, Qi-Di; Wang, Wei; Zhou, Jie; Wang, Lei; Fun, Hoong-Kun; Xu, Jian-Hua; Zhang, Yan","Photoinduced reactions of bicycloalkylidenes with isatin and isoquinolinetrione.","Organic & biomolecular chemistry","2012","10","18","3626","3635","10.1039/c2ob07158d","","","0.71073","MoKα","","0.0535","0.0457","","","0.1241","0.1299","","","","","","1.063","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152313","15.562","0.006","10.686","0.004","15.625","0.006","90","","90","","90","","2598.4","1.7","93","2","93","2","","","","","","","","4","P n a 21","P 2c -2n","33","Propionyl-(5,5'6,6'-Tetramethyl-3,3'-di-tert-butyl-1,1-biphenyl)phosphite","4,8-di-tert-butyl-1,2,10,11-tetramethyldibenzo[d,f][1,3,2]dioxaphosphepin-6-yl propionate","","- C27 H37 O4 P -","- C27 H37 O4 P -","- C108 H148 O16 P4 -","4","1","","Coetzee, Jacorien; Eastham, Graham R.; Slawin, Alexandra M. Z.; Cole-Hamilton, David J","Phosphorus containing mixed anhydrides-their preparation, labile behaviour and potential routes to their stabilisation.","Organic & biomolecular chemistry","2012","10","18","3677","3688","10.1039/c2ob07164a","","","0.71075","MoKα","","0.1454","0.0919","","","0.2162","0.2483","","","","","","0.996","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152314","10.82","0.007","16.178","0.01","15.982","0.01","90","","98.366","0.017","90","","2768","3","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","phenylacetyl-(5,5',6,6'-tetramethyl-3,3'-di-tert-butyl-1,1'-biphenyl-2,2'-diyl)phosphite","4,8-di-tert-butyl-1,2,10,11-tetramethyldibenzo[d,f][1,3,2]dioxaphosphepin-6-yl 2-phenylacetate","","- C32 H39 O4 P -","- C32 H39 O4 P -","- C128 H156 O16 P4 -","4","1","","Coetzee, Jacorien; Eastham, Graham R.; Slawin, Alexandra M. Z.; Cole-Hamilton, David J","Phosphorus containing mixed anhydrides-their preparation, labile behaviour and potential routes to their stabilisation.","Organic & biomolecular chemistry","2012","10","18","3677","3688","10.1039/c2ob07164a","","","0.71075","MoKα","","0.2445","0.1477","","","0.3207","0.3668","","","","","","1.002","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152315","10.232","0.003","12.846","0.004","13.644","0.002","78.15","0.02","68.93","0.02","86.69","0.02","1637.6","0.8","93","2","93","2","","","","","","","","4","P -1","-P 1","2","Phenylacetyl(3,3',5,5'-Tetra-tert-butyl-1,1'-biphenyl-2,2'-diyl)phosphite","2,4,8,10-tetra-tert-butyldibenzo[d,f][1,3,2]dioxaphosphepin-6-yl 2-phenylacetate","","- C36 H47 O4 P -","- C36 H47 O4 P -","- C72 H94 O8 P2 -","2","1","","Coetzee, Jacorien; Eastham, Graham R.; Slawin, Alexandra M. Z.; Cole-Hamilton, David J","Phosphorus containing mixed anhydrides-their preparation, labile behaviour and potential routes to their stabilisation.","Organic & biomolecular chemistry","2012","10","18","3677","3688","10.1039/c2ob07164a","","","0.71075","MoKα","","0.1038","0.0789","","","0.2018","0.2238","","","","","","1.066","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152316","16.1185","0.0006","5.7251","0.0002","24.3065","0.0009","90","","106.365","0.004","90","","2152.13","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 I O Se -","- C25 H21 I O Se -","- C100 H84 I4 O4 Se4 -","4","1","","Xu, Jianfeng; Zhu, Shugao; Wu, Luling; Huang, Xian","Chemoselective synthesis of highly substituted 1,2-allenyl ketones, furans, and 2-alkynyl ketones from reaction of lithium selenolates with 1-(1-alkynyl)cyclopropyl ketones and electrophiles.","Organic & biomolecular chemistry","2012","10","18","3705","3714","10.1039/c2ob25071c","","","0.71073","MoKα","","0.0564","0.0368","","","0.0816","0.0921","","","","","","1.039","","","","has coordinates,has disorder","180309","2020-10-21","18:00:00",""
"7152317","8.7411","0.0002","10.8404","0.0002","11.3321","0.0002","94.6197","0.001","106.901","0.0011","91.5749","0.0012","1022.62","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H25 N S2 -","- C24 H8 N S2 -","- C48 H16 N2 S4 -","2","1","","Balaji, Ganapathy; Della Pelle, Andrea M.; Popere, Bhooshan C.; Chandrasekaran, A.; Thayumanavan, S.","Synthesis and properties of thienopyrrole based heteroacenes - indolodibenzothienopyrrole and dicarbazolodithienopyrrole.","Organic & biomolecular chemistry","2012","10","17","3455","3462","10.1039/c2ob25087j","","","0.71073","MoKα","","0.0717","0.0692","","","0.1981","0.2003","","","","","","1.064","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152318","10.9704","0.0004","12.7453","0.0004","15.4994","0.0006","108.851","0.002","97.4139","0.0018","100.602","0.002","1974.07","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H47 N3 O4 S2 -","- C44 H39 N3 O4 S2 -","- C88 H78 N6 O8 S4 -","2","1","","Balaji, Ganapathy; Della Pelle, Andrea M.; Popere, Bhooshan C.; Chandrasekaran, A.; Thayumanavan, S.","Synthesis and properties of thienopyrrole based heteroacenes - indolodibenzothienopyrrole and dicarbazolodithienopyrrole.","Organic & biomolecular chemistry","2012","10","17","3455","3462","10.1039/c2ob25087j","","","0.71073","MoKα","","0.0779","0.0564","","","0.1501","0.1643","","","","","","1.041","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152319","6.8238","0.0002","11.0492","0.0003","16.3885","0.0004","90","","100.76","0.002","90","","1213.93","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 O6 -","- C16 H12 O6 -","- C64 H48 O24 -","4","1","","Scaffidi, Adrian; Waters, Mark T.; Skelton, Brian W.; Bond, Charles S.; Sobolev, Alexandre N.; Bythell-Douglas, Rohan; McKinley, Allan J.; Dixon, Kingsley W.; Ghisalberti, Emilio L.; Smith, Steven M.; Flematti, Gavin R.","Solar irradiation of the seed germination stimulant karrikinolide produces two novel head-to-head cage dimers","Organic & Biomolecular Chemistry","2012","10","20","4069","","10.1039/c2ob25090j","","","0.71073","MoKα","","0.057","0.0393","","","0.1017","0.1062","","","","","","0.955","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152320","17.021","0.0005","11.994","0.001","13.456","0.0005","90","","113.283","0.004","90","","2523.3","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 O6 -","- C16 H12 O6 -","- C128 H96 O48 -","8","2","","Scaffidi, Adrian; Waters, Mark T.; Skelton, Brian W.; Bond, Charles S.; Sobolev, Alexandre N.; Bythell-Douglas, Rohan; McKinley, Allan J.; Dixon, Kingsley W.; Ghisalberti, Emilio L.; Smith, Steven M.; Flematti, Gavin R.","Solar irradiation of the seed germination stimulant karrikinolide produces two novel head-to-head cage dimers","Organic & Biomolecular Chemistry","2012","10","20","4069","","10.1039/c2ob25090j","","","0.71077","synchrotron","","0.3714","0.266","","","0.5261","0.5693","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152321","4.2571","0.0007","14.425","0.002","23.481","0.004","90","","90","","90","","1441.9","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","1","","Sun, Zhong-Xin; Cheng, Ying","N-Heterocyclic carbene-catalyzed cascade annulation reaction of o-vinylarylaldehydes with nitrosoarenes: one-step assembly of functionalized 2,3-benzoxazin-4-ones","Organic & Biomolecular Chemistry","2012","10","20","4088","","10.1039/c2ob25137j","","","0.71073","MoKα","","0.0521","0.044","","","0.1157","0.1209","","","","","","1.084","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152322","10.3319","0.0004","21.2699","0.0008","9.3647","0.0004","90","","120.648","0.002","90","","1770.5","0.13","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H20 I N O -","- C18 H20 I N O -","- C72 H80 I4 N4 O4 -","4","1","","Huang, Jing-Mei; Ye, Zhi-Jun; Chen, Dong-Song; Zhu, Hong","Iodine mediated/Brønsted acid-catalyzed dimerization of vinylarenes: a tandem reaction through Ritter trapping to produce N-(4-iodo-1,3-diarylbutyl) acetamides.","Organic & biomolecular chemistry","2012","10","18","3610","3612","10.1039/c2ob25142f","","","0.71073","MoKα","","0.0368","0.0339","","","0.0975","0.1084","","","","","","1.156","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152323","19.7487","0.0016","9.7599","0.0008","18.467","0.0012","90","","90","","90","","3559.4","0.5","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H18 N2 O -","- C22 H18 N2 O -","- C176 H144 N16 O8 -","8","2","","Bhanuchandra, M.; Kuram, Malleswara Rao; Sahoo, Akhila K.","A convenient approach to β-heteroarylated (C-N bond) ketones from Cs(2)CO(3) promoted reaction between propargyl alcohols and nitrogen-heterocycles.","Organic & biomolecular chemistry","2012","10","17","3538","3555","10.1039/c2ob25165e","","","0.71073","MoKα","","0.1286","0.0554","","","0.0918","0.1178","","","","","","1.04","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152324","10.9862","0.0009","19.4309","0.0013","9.9118","0.0009","90","","115.173","0.01","90","","1914.9","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N2 O -","- C24 H20 N2 O -","- C96 H80 N8 O4 -","4","1","","Bhanuchandra, M.; Kuram, Malleswara Rao; Sahoo, Akhila K.","A convenient approach to β-heteroarylated (C-N bond) ketones from Cs(2)CO(3) promoted reaction between propargyl alcohols and nitrogen-heterocycles.","Organic & biomolecular chemistry","2012","10","17","3538","3555","10.1039/c2ob25165e","","","0.71073","MoKα","","0.062","0.0371","","","0.0962","0.1026","","","","","","1.068","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152325","10","0.0007","11.073","0.0007","10.832","0.002","90","","109.495","0.01","90","","1130.7","0.2","110","2","110","2","","","","","","","see text","7","P 1 21 1","P 2yb","4","CMN103F2","(2S,4S,5R)-3,4-Dimethyl-2-(α-(SFc)-trimethylsylanylferrocenyl)-5- phenyl-[1,3,2]oxazaphospholidine-2-oxide","","- C23 H30 Fe N O2 P Si -","- C23 H30 Fe N O2 P Si -","- C46 H60 Fe2 N2 O4 P2 Si2 -","2","1","","Martins, Nelson; Mateus, Nuno; Vinci, Daniele; Saidi, Ourida; Brigas, Amadeu; Bacsa, John; Xiao, Jianliang","Another side of the oxazaphospholidine oxide chiral ortho-directing group","Organic & Biomolecular Chemistry","2012","10","20","4036","","10.1039/c2ob25187f","","","0.71073","MoKα","","0.0383","0.0353","","","0.0727","0.0739","","","","","","1.054","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152326","12.0764","0.0012","13.3216","0.0013","17.3013","0.0016","90","","90","","90","","2783.4","0.5","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","CHN130FM","","","- C32 H31 Fe N O2 P2 -","- C32 H31 Fe N O2 P2 -","- C128 H124 Fe4 N4 O8 P8 -","4","1","","Martins, Nelson; Mateus, Nuno; Vinci, Daniele; Saidi, Ourida; Brigas, Amadeu; Bacsa, John; Xiao, Jianliang","Another side of the oxazaphospholidine oxide chiral ortho-directing group","Organic & Biomolecular Chemistry","2012","10","20","4036","","10.1039/c2ob25187f","","","0.71073","MoKα","","0.0381","0.0321","","","0.072","0.0738","","","","","","0.98","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152327","10.1623","0.0009","12.0052","0.001","14.5445","0.0013","90","","90","","90","","1774.4","0.3","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","CMN82ff","","","- C20 H22 Fe N O2 P -","- C20 H22 Fe N O2 P -","- C80 H88 Fe4 N4 O8 P4 -","4","1","","Martins, Nelson; Mateus, Nuno; Vinci, Daniele; Saidi, Ourida; Brigas, Amadeu; Bacsa, John; Xiao, Jianliang","Another side of the oxazaphospholidine oxide chiral ortho-directing group","Organic & Biomolecular Chemistry","2012","10","20","4036","","10.1039/c2ob25187f","","","0.71073","MoKα","","0.0242","0.0232","","","0.0568","0.057","","","","","","1.036","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152328","5.817","0.0003","12.8442","0.0007","23.6728","0.0013","90","","90","","90","","1768.71","0.16","180","2","180","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Fe N O2 P -","- C20 H22 Fe N O2 P -","- C80 H88 Fe4 N4 O8 P4 -","4","1","","Martins, Nelson; Mateus, Nuno; Vinci, Daniele; Saidi, Ourida; Brigas, Amadeu; Bacsa, John; Xiao, Jianliang","Another side of the oxazaphospholidine oxide chiral ortho-directing group","Organic & Biomolecular Chemistry","2012","10","20","4036","","10.1039/c2ob25187f","","","0.71073","MoKα","","0.0334","0.0301","","","0.0711","0.0726","","","","","","1.063","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152329","7.6377","0.0003","7.8225","0.0003","32.1299","0.001","93.748","0.002","91.221","0.002","109.094","0.002","1808.28","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H20 N2 O6 -","- C18 H20 N2 O6 -","- C72 H80 N8 O24 -","4","2","","Bennett, Nicholas J.; Elliott, Mark C.; Hewitt, Natalie L.; Kariuki, Benson M.; Morton, Clare A.; Raw, Steven A.; Tomasi, Simone","Diastereoselective alkylation reactions of 1-methylcyclohexa-2,5-diene-1-carboxylic acid","Organic & Biomolecular Chemistry","2012","10","19","3859","","10.1039/c2ob25211b","","","0.71073","MoKα","","0.105","0.0706","","","0.1381","0.1588","","","","","","1.086","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152330","42.526","0.008","15.758","0.003","16.686","0.003","90","","90","","90","","11182","4","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C59 H78 Cl2 O10 -","- C59 H78 Cl2 O10 -","- C472 H624 Cl16 O80 -","8","1","","Shu, Xiaoyan; Fan, Jiazeng; Li, Jian; Wang, Xiaoyang; Chen, Wei; Jia, Xueshun; Li, Chunju","Complexation of neutral 1,4-dihalobutanes with simple pillar[5]arenes that is dominated by dispersion forces.","Organic & biomolecular chemistry","2012","10","17","3393","3397","10.1039/c2ob25251a","","","0.71073","MoKα","","0.1516","0.1193","","","0.2971","0.3259","","","","","","1.096","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152331","21.897","0.004","21.54","0.004","25.2","0.005","90","","98.28","0.004","90","","11762","4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C119 H198 Cl2 O10 -","- C119 H198 Cl2 O10 -","- C476 H792 Cl8 O40 -","4","1","","Shu, Xiaoyan; Fan, Jiazeng; Li, Jian; Wang, Xiaoyang; Chen, Wei; Jia, Xueshun; Li, Chunju","Complexation of neutral 1,4-dihalobutanes with simple pillar[5]arenes that is dominated by dispersion forces.","Organic & biomolecular chemistry","2012","10","17","3393","3397","10.1039/c2ob25251a","","","0.71073","MoKα","","0.2188","0.1394","","","0.3347","0.3894","","","","","","1.508","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7152332","12.2219","0.0011","14.486","0.0013","21.9366","0.0019","89.672","0.002","89.514","0.002","76.132","0.001","3770.4","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C79 H118 F2 O10 -","- C79 H118 F2 O10 -","- C158 H236 F4 O20 -","2","1","","Shu, Xiaoyan; Fan, Jiazeng; Li, Jian; Wang, Xiaoyang; Chen, Wei; Jia, Xueshun; Li, Chunju","Complexation of neutral 1,4-dihalobutanes with simple pillar[5]arenes that is dominated by dispersion forces.","Organic & biomolecular chemistry","2012","10","17","3393","3397","10.1039/c2ob25251a","","","0.71073","MoKα","","0.1521","0.0911","","","0.2284","0.2913","","","","","","1.031","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7152333","15.136","0.002","24.59","0.004","24.775","0.004","61.226","0.002","81.302","0.002","74.159","0.002","7773","2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C79 H118 I2 O10 -","- C79 H118 I2 O10 -","- C316 H472 I8 O40 -","4","2","","Shu, Xiaoyan; Fan, Jiazeng; Li, Jian; Wang, Xiaoyang; Chen, Wei; Jia, Xueshun; Li, Chunju","Complexation of neutral 1,4-dihalobutanes with simple pillar[5]arenes that is dominated by dispersion forces.","Organic & biomolecular chemistry","2012","10","17","3393","3397","10.1039/c2ob25251a","","","0.71073","MoKα","","0.2447","0.197","","","0.494","0.5428","","","","","","2.082","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152334","7.5614","0.0005","11.1691","0.0007","20.0521","0.0013","90","","90","","90","","1693.48","0.19","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 Br N2 O4 S -","- C16 H15 Br N2 O4 S -","- C64 H60 Br4 N8 O16 S4 -","4","1","","Chen, Jie; Zhou, Ling; Yeung, Ying-Yeung","A highly enantioselective approach towards 2-substituted 3-bromopyrrolidines","Organic & Biomolecular Chemistry","2012","10","19","3808","","10.1039/c2ob25327e","","","0.71073","MoKα","","0.0484","0.0348","","","0.0726","0.0764","","","","","","0.954","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152335","7.4711","0.0007","11.1765","0.001","19.4619","0.0017","90","","90","","90","","1625.1","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 Br N2 O4 S2 -","- C14 H13 Br N2 O4 S2 -","- C56 H52 Br4 N8 O16 S8 -","4","1","","Chen, Jie; Zhou, Ling; Yeung, Ying-Yeung","A highly enantioselective approach towards 2-substituted 3-bromopyrrolidines","Organic & Biomolecular Chemistry","2012","10","19","3808","","10.1039/c2ob25327e","","","0.71073","MoKα","","0.0292","0.0269","","","0.0646","0.0656","","","","","","0.833","","","","has coordinates,has disorder","180309","2020-10-21","18:00:00",""
"7152336","6.5782","0.0004","8.7302","0.0005","21.2398","0.0012","90","","90","","90","","1219.78","0.12","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 N O6 -","- C14 H15 N O6 -","- C56 H60 N4 O24 -","4","1","","Ahmad, Sajjad; Swift, Michael D.; Farrugia, Louis J.; Senn, Hans Martin; Sutherland, Andrew","Stereoselective synthesis of functionalised carbocyclic amides: construction of the syn-(4aS,10bS)-phenanthridone skeleton","Organic & Biomolecular Chemistry","2012","10","19","3937","","10.1039/c2ob25334h","","x-ray","0.71073","MoKα","","0.0372","0.0334","","","0.0839","0.0857","","","","","","1.083","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152337","9.5048","0.0003","18.9754","0.0006","19.2401","0.0007","90","","90","","90","","3470.1","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H20 N4 O6 S -","- C34 N O10 S -","- C136 N4 O40 S4 -","4","1","","Leermann, Timo; Broutin, Pierre-Emmanuel; Leroux, Frédéric R.; Colobert, Françoise","Construction of the biaryl-part of vancomycin aglycon via atropo-diastereoselective Suzuki‒Miyaura coupling","Organic & Biomolecular Chemistry","2012","10","20","4095","","10.1039/c2ob25373a","","","0.71073","MoKα","","0.0804","0.0714","","","0.1969","0.2074","","","","","","1.393","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152338","10.6718","0.0005","11.6816","0.0006","14.2167","0.0007","90","","111.935","0.001","90","","1644.01","0.14","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H41 N O9 S -","- C33 H41 N O9 S -","- C66 H82 N2 O18 S2 -","2","1","","Leermann, Timo; Broutin, Pierre-Emmanuel; Leroux, Frédéric R.; Colobert, Françoise","Construction of the biaryl-part of vancomycin aglycon via atropo-diastereoselective Suzuki‒Miyaura coupling","Organic & Biomolecular Chemistry","2012","10","20","4095","","10.1039/c2ob25373a","","","0.71073","MoKα","","0.0296","0.0268","","","0.0666","0.0686","","","","","","1.045","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152339","11.7222","0.0014","10.3371","0.0013","12.2852","0.0016","90","","98.752","0.002","90","","1471.3","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N O4 S -","- C15 H17 N O4 S -","- C60 H68 N4 O16 S4 -","4","1","","Guan, Yifu; Zhang, Hongbin; Pan, Chengxue; Wang, Jia; Huang, Rong; Li, Qilin","Flexible synthesis of montanine-like alkaloids: revisiting the structure of montabuphine","Organic & Biomolecular Chemistry","2012","10","19","3812","","10.1039/c2ob25374g","","","0.71073","MoKα","","0.0844","0.0546","","","0.1018","0.1144","","","","","","1.053","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152340","7.7625","0.0013","10.6733","0.0018","17.788","0.003","90","","97.621","0.002","90","","1460.7","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N O4 S -","- C15 H17 N O4 S -","- C60 H68 N4 O16 S4 -","4","1","","Guan, Yifu; Zhang, Hongbin; Pan, Chengxue; Wang, Jia; Huang, Rong; Li, Qilin","Flexible synthesis of montanine-like alkaloids: revisiting the structure of montabuphine","Organic & Biomolecular Chemistry","2012","10","19","3812","","10.1039/c2ob25374g","","","0.71073","MoKα","","0.1024","0.0521","","","0.1144","0.1402","","","","","","1.017","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152341","9.4618","0.0012","11.8536","0.0015","12.1246","0.0015","117.873","0.002","91.857","0.002","110.815","0.002","1090.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H27 N O7 S -","- C23 H27 N O7 S -","- C46 H54 N2 O14 S2 -","2","1","","Guan, Yifu; Zhang, Hongbin; Pan, Chengxue; Wang, Jia; Huang, Rong; Li, Qilin","Flexible synthesis of montanine-like alkaloids: revisiting the structure of montabuphine","Organic & Biomolecular Chemistry","2012","10","19","3812","","10.1039/c2ob25374g","","","0.71073","MoKα","","0.0453","0.0365","","","0.1045","0.1118","","","","","","1.05","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152342","15.273","0.002","14.335","0.002","9.1567","0.0013","90","","90.0282","0.0021","90","","2004.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O6 S -","- C22 H23 N O6 S -","- C88 H92 N4 O24 S4 -","4","1","","Guan, Yifu; Zhang, Hongbin; Pan, Chengxue; Wang, Jia; Huang, Rong; Li, Qilin","Flexible synthesis of montanine-like alkaloids: revisiting the structure of montabuphine","Organic & Biomolecular Chemistry","2012","10","19","3812","","10.1039/c2ob25374g","","","0.71073","MoKα","","0.0481","0.0367","","","0.0948","0.102","","","","","","1.024","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152343","9.1092","0.0018","10.189","0.002","20.517","0.004","90","","90","","90","","1904.3","0.6","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 O3 S -","- C21 H26 O3 S -","- C84 H104 O12 S4 -","4","1","","Gao, YuZhe; Wang, Xue; Sun, LiDong; Xie, LongGuan; Xu, XiaoHua","Zinc or indium-mediated Barbier-type allylation of aldehydes with 3-bromomethyl-5H-furan-2-one in aqueous media: an efficient synthesis method for α-methylene-γ-butyrolactone","Organic & Biomolecular Chemistry","2012","10","20","3991","","10.1039/c2ob25397f","","","0.71073","MoKα","","0.043","0.0352","","","0.0924","0.1176","","","","","","1.086","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152344","9.1436","0.0018","19.925","0.004","10.386","0.002","90","","100.85","0.03","90","","1858.4","0.7","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 O3 S -","- C21 H26 O3 S -","- C84 H104 O12 S4 -","4","1","","Gao, YuZhe; Wang, Xue; Sun, LiDong; Xie, LongGuan; Xu, XiaoHua","Zinc or indium-mediated Barbier-type allylation of aldehydes with 3-bromomethyl-5H-furan-2-one in aqueous media: an efficient synthesis method for α-methylene-γ-butyrolactone","Organic & Biomolecular Chemistry","2012","10","20","3991","","10.1039/c2ob25397f","","","0.71073","MoKα","","0.0403","0.0357","","","0.0948","0.0988","","","","","","1.071","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152345","11.486","0.0017","7.4766","0.0011","20.639","0.003","90","","95.97","0.003","90","","1762.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Br N O3 S -","- C18 H18 Br N O3 S -","- C72 H72 Br4 N4 O12 S4 -","4","1","","Zhang, Di-Han; Du, Kang; Shi, Min","Gold(i)-catalyzed intramolecular hydroamination and ring-opening of sulfonamide-substituted 2-(arylmethylene)cyclopropylcarbinols.","Organic & biomolecular chemistry","2012","10","18","3763","3766","10.1039/c2ob25512j","","","0.71073","MoKα","","0.0912","0.0579","","","0.1295","0.1423","","","","","","1.092","","","","has coordinates,has disorder","180309","2020-10-21","18:00:00",""
"7152346","9.7862","0.0003","11.6935","0.0004","18.199","0.0009","90","","97.545","0.001","90","","2064.57","0.14","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 N2 O6 -","- C23 H28 N2 O6 -","- C92 H112 N8 O24 -","4","1","","Voskuhl, Jens; Waller, Mark; Bandaru, Sateesh; Tkachenko, Boryslav A.; Fregonese, Carlo; Wibbeling, Birgit; Schreiner, Peter R.; Ravoo, Bart Jan","Nanodiamonds in sugar rings: an experimental and theoretical investigation of cyclodextrin-nanodiamond inclusion complexes.","Organic & biomolecular chemistry","2012","10","23","4524","4530","10.1039/c2ob06915f","","","0.71073","MoKα","","0.0833","0.0609","","","0.1372","0.1539","","","","","","1.062","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152347","8.9831","0.0001","11.8982","0.0001","13.1146","0.0001","106.512","0.001","109.88","0.001","101.331","0.001","1195.17","0.03","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H32 N2 O6 -","- C27 H32 N2 O6 -","- C54 H64 N4 O12 -","2","1","","Voskuhl, Jens; Waller, Mark; Bandaru, Sateesh; Tkachenko, Boryslav A.; Fregonese, Carlo; Wibbeling, Birgit; Schreiner, Peter R.; Ravoo, Bart Jan","Nanodiamonds in sugar rings: an experimental and theoretical investigation of cyclodextrin-nanodiamond inclusion complexes.","Organic & biomolecular chemistry","2012","10","23","4524","4530","10.1039/c2ob06915f","","","1.54178","CuKα","","0.0579","0.0492","","","0.1358","0.1456","","","","","","1.012","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152348","8.8685","0.0002","11.1349","0.0002","14.0791","0.0003","94.026","0.001","96.563","0.001","109.563","0.001","1292.7","0.05","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H36 N2 O6 -","- C31 H36 N2 O6 -","- C62 H72 N4 O12 -","2","1","","Voskuhl, Jens; Waller, Mark; Bandaru, Sateesh; Tkachenko, Boryslav A.; Fregonese, Carlo; Wibbeling, Birgit; Schreiner, Peter R.; Ravoo, Bart Jan","Nanodiamonds in sugar rings: an experimental and theoretical investigation of cyclodextrin-nanodiamond inclusion complexes.","Organic & biomolecular chemistry","2012","10","23","4524","4530","10.1039/c2ob06915f","","","0.71073","MoKα","","0.0725","0.0603","","","0.1447","0.1574","","","","","","1.023","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152349","7.3012","0.0002","9.1671","0.0002","21.9003","0.0004","90","","90","","90","","1465.81","0.06","120","2","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N O3 -","- C17 H19 N O4 -","- C68 H76 N4 O16 -","4","1","","Tchabanenko, Kirill; Sloan, Colleen; Bunetel, Yves-Mael; Mullen, Philip","Diastereoselective 1,3-dipolar cycloaddition of pyrylium ylides with chiral enamides.","Organic & biomolecular chemistry","2012","10","21","4215","4219","10.1039/c2ob07007c","","","0.71073","MOKα","","0.0633","0.055","","","0.1589","0.1669","","","","","","1.247","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152350","18.687","0.005","8.149","0.005","18.235","0.005","90","0.005","115.58","0.005","90","0.005","2504.7","1.8","298","2","298","2","","","","","","","","6","C 1 2 1","C 2y","5","azetidine","","","- C27 H33 N O2 S Si -","- C27 H33 N O2 S Si -","- C108 H132 N4 O8 S4 Si4 -","4","1","","Narhe, Bharat D.; Sriramurthy, Vardhineedi; Yadav, Veejendra K.","A smooth rearrangement of N-p-toluenesulfonyl 2-tert-butyldiphenylsilylmethyl-substituted azetidines into N-p-toluenesulfonyl 3-tert-butyldiphenylsilyl-substituted pyrrolidines.","Organic & biomolecular chemistry","2012","10","22","4390","4399","10.1039/c2ob07140a","","","0.71069","MoKα","","0.0623","0.0521","","","0.1137","0.1231","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152351","11.241","0.005","13.09","0.005","19.226","0.005","90","0.005","90","0.005","90","0.005","2829","1.8","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","trans allyl azetidine","","","- C30 H37 N O2 S Si -","- C30 H37 N O2 S Si -","- C120 H148 N4 O8 S4 Si4 -","4","1","","Narhe, Bharat D.; Sriramurthy, Vardhineedi; Yadav, Veejendra K.","A smooth rearrangement of N-p-toluenesulfonyl 2-tert-butyldiphenylsilylmethyl-substituted azetidines into N-p-toluenesulfonyl 3-tert-butyldiphenylsilyl-substituted pyrrolidines.","Organic & biomolecular chemistry","2012","10","22","4390","4399","10.1039/c2ob07140a","","","0.71069","MoKα","","0.0408","0.0381","","","0.0941","0.0967","","","","","","0.935","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152352","10.1607","0.0007","13.0737","0.001","22.9043","0.0017","90","","90","","90","","3042.6","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","benzyl pyrrolidine","","","- C34 H39 N O2 S Si -","- C34 H39 N O2 S Si -","- C136 H156 N4 O8 S4 Si4 -","4","1","","Narhe, Bharat D.; Sriramurthy, Vardhineedi; Yadav, Veejendra K.","A smooth rearrangement of N-p-toluenesulfonyl 2-tert-butyldiphenylsilylmethyl-substituted azetidines into N-p-toluenesulfonyl 3-tert-butyldiphenylsilyl-substituted pyrrolidines.","Organic & biomolecular chemistry","2012","10","22","4390","4399","10.1039/c2ob07140a","","","0.71073","MoKα","","0.0432","0.0389","","","0.0914","0.0944","","","","","","1.063","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152353","10.158","0.005","13.071","0.005","22.898","0.005","90","0.005","90","0.005","90","0.005","3040","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H39 N O2 S Si -","- C34 H39 N O2 S Si -","- C136 H156 N4 O8 S4 Si4 -","4","1","","Narhe, Bharat D.; Sriramurthy, Vardhineedi; Yadav, Veejendra K.","A smooth rearrangement of N-p-toluenesulfonyl 2-tert-butyldiphenylsilylmethyl-substituted azetidines into N-p-toluenesulfonyl 3-tert-butyldiphenylsilyl-substituted pyrrolidines.","Organic & biomolecular chemistry","2012","10","22","4390","4399","10.1039/c2ob07140a","","","0.71069","MoKα","","0.0744","0.0545","","","0.1093","0.1213","","","","","","1.01","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152354","9.969","0.005","10.025","0.005","29.109","0.005","90","0.005","90","0.005","90","0.005","2909","2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","4-flurophenylpyrrolidine","","","- C33 H36 F N O2 S Si -","- C33 H36 F N O2 S Si -","- C132 H144 F4 N4 O8 S4 Si4 -","4","1","","Narhe, Bharat D.; Sriramurthy, Vardhineedi; Yadav, Veejendra K.","A smooth rearrangement of N-p-toluenesulfonyl 2-tert-butyldiphenylsilylmethyl-substituted azetidines into N-p-toluenesulfonyl 3-tert-butyldiphenylsilyl-substituted pyrrolidines.","Organic & biomolecular chemistry","2012","10","22","4390","4399","10.1039/c2ob07140a","","","0.71069","MoKα","","0.0607","0.0474","","","0.1039","0.1125","","","","","","1.015","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152355","13.4861","0.0014","8.3629","0.0009","14.9897","0.0016","90","","110.252","0.002","90","","1586.1","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","sulfoxide","","","- C35 H41 N O3 S Si -","- C35 H41 N O3 S Si -","- C70 H82 N2 O6 S2 Si2 -","2","1","","Narhe, Bharat D.; Sriramurthy, Vardhineedi; Yadav, Veejendra K.","A smooth rearrangement of N-p-toluenesulfonyl 2-tert-butyldiphenylsilylmethyl-substituted azetidines into N-p-toluenesulfonyl 3-tert-butyldiphenylsilyl-substituted pyrrolidines.","Organic & biomolecular chemistry","2012","10","22","4390","4399","10.1039/c2ob07140a","","","0.71073","MoKα","","0.0549","0.0462","","","0.103","0.1103","","","","","","1.026","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152356","8.458","0.005","36.758","0.005","9.963","0.005","90","0.005","90.409","0.005","90","0.005","3097","2","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","REUT","","","- C34 H38 F N O3 S Si -","- C34 H38 F N O3 S Si -","- C136 H152 F4 N4 O12 S4 Si4 -","4","2","","Narhe, Bharat D.; Sriramurthy, Vardhineedi; Yadav, Veejendra K.","A smooth rearrangement of N-p-toluenesulfonyl 2-tert-butyldiphenylsilylmethyl-substituted azetidines into N-p-toluenesulfonyl 3-tert-butyldiphenylsilyl-substituted pyrrolidines.","Organic & biomolecular chemistry","2012","10","22","4390","4399","10.1039/c2ob07140a","","","0.71069","MoKα","","0.093","0.0643","","","0.1459","0.187","","","","","","1.015","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152357","16.8073","0.0004","9.1044","0.0002","23.0328","0.0005","90","","131.716","0.001","90","","2630.86","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 N2 O3 S Si2 -","- C24 H32 N2 O3 S Si2 -","- C96 H128 N8 O12 S4 Si8 -","4","1","","Zhang, Bao; Wee, Andrew G. H.","Conformational, steric and electronic effects on the site- and chemoselectivity of the metal-catalyzed reaction of N-bis(trimethylsilyl)methyl, N-(2-indolyl)methyl α-diazoamides.","Organic & biomolecular chemistry","2012","10","23","4597","4608","10.1039/c2ob25103e","","","0.71073","MoKα","","0.0543","0.0403","","","0.0938","0.1019","","","","","","1.053","","","","has coordinates,has disorder","180309","2020-10-21","18:00:00",""
"7152358","9.0478","0.0009","18.6125","0.0018","14.1521","0.0014","90","","96.359","0.001","90","","2368.6","0.4","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H32 N2 O4 S Si2 -","- C20 H32 N2 O4 S Si2 -","- C80 H128 N8 O16 S4 Si8 -","4","1","","Zhang, Bao; Wee, Andrew G. H.","Conformational, steric and electronic effects on the site- and chemoselectivity of the metal-catalyzed reaction of N-bis(trimethylsilyl)methyl, N-(2-indolyl)methyl α-diazoamides.","Organic & biomolecular chemistry","2012","10","23","4597","4608","10.1039/c2ob25103e","","","0.71073","MoKα","","0.0479","0.0403","","","0.1086","0.1152","","","","","","1.045","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152359","6.9084","0.0019","14.098","0.004","14.21","0.004","90","","90","","90","","1384","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Br N O4 -","- C14 H14 Br N O4 -","- C56 H56 Br4 N4 O16 -","4","1","","Li, Wenyi; Liu, Xiaodong; Mao, Zhifeng; Chen, Qiao; Wang, Rui","New approach to the preparation of bicyclo octane derivatives via the enantioselective cascade reaction catalyzed by chiral diamine-Ni(OAc)(2) complex.","Organic & biomolecular chemistry","2012","10","24","4767","4773","10.1039/c2ob25135c","","","0.71073","MoKα","","0.056","0.0368","","","0.0675","0.0727","","","","","","0.982","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152360","9.7923","0.0014","8.0377","0.0011","14.52","0.002","90","","93.817","0.002","90","","1140.3","0.3","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 N O -","- C13 H18 N O -","- C52 H72 N4 O4 -","4","1","","Hsieh, Min-Tsang; Shia, Kak-Shan; Liu, Hsing-Jang; Kuo, Sheng-Chu","Palladium(ii) acetate mediated oxidative cyclization of ω-unsaturated α-cyano ketones for facile construction of methylenecyclohexane ring system.","Organic & biomolecular chemistry","2012","10","23","4609","4617","10.1039/c2ob25161b","","","0.71073","MoKα","","0.0699","0.0575","","","0.1757","0.1905","","","","","","1.095","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152361","13.1764","0.0014","7.0909","0.0007","19.046","0.002","90","","92.154","0.003","90","","1778.3","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N5 O4 -","- C18 H19 N5 O4 -","- C72 H76 N20 O16 -","4","1","","Hsieh, Min-Tsang; Shia, Kak-Shan; Liu, Hsing-Jang; Kuo, Sheng-Chu","Palladium(ii) acetate mediated oxidative cyclization of ω-unsaturated α-cyano ketones for facile construction of methylenecyclohexane ring system.","Organic & biomolecular chemistry","2012","10","23","4609","4617","10.1039/c2ob25161b","","","0.71073","MoKα","","0.131","0.0583","","","0.1055","0.1289","","","","","","0.908","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152362","14.605","0.004","6.1389","0.0017","20.396","0.005","90","","91.627","0.018","90","","1827.9","0.8","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N3 O3 -","- C23 H19 N3 O3 -","- C92 H76 N12 O12 -","4","1","","Maurya, Hardesh K.; Gautam, Sanjay K.; Pratap, Ramendra; Tandon, Vishnu K.; Kumar, Abhinav; Bajpai, Vikas; Kumar, Brijesh; Ram, Vishnu Ji","Sequential approach to the synthesis of 'U and Z' shaped polycyclic heteroarenes.","Organic & biomolecular chemistry","2012","10","25","4977","4986","10.1039/c2ob25173f","","","0.71073","MoKα","","0.0654","0.0398","","","0.0901","0.1022","","","","","","1.004","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152363","27.9648","0.0013","9.851","0.0006","34.664","0.0017","90","","101.179","0.004","90","","9368.1","0.9","140","1","140","1","","","","","","","","3","A 1 2/a 1","-A 2ya","15","cone-3","","","- C57 H66 O6 -","- C57 H66 O6 -","- C456 H528 O48 -","8","1","","Ni, Xin-Long; Rahman, Shofiur; Wang, Shi; Jin, Cheng-Cheng; Zeng, Xi; Hughes, David L.; Redshaw, Carl; Yamato, Takehiko","Hexahomotrioxacalix[3]arene derivatives as ionophores for molecular recognition of dopamine, serotonin and phenylethylamine.","Organic & biomolecular chemistry","2012","10","23","4618","4626","10.1039/c2ob25177a","","","0.71073","Mo-Kα","","0.0872","0.0772","","","0.1336","0.1385","","","","","","1.243","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152364","11.6724","0.0011","14.7955","0.0009","16.7566","0.0018","97.92","0.007","98.124","0.008","105.744","0.007","2709.8","0.4","293","1","293","1","","","","","","","","4","P -1","-P 1","2","cone-5","","","- C54 H87 N3 O6 -","- C54 H87 N3 O6 -","- C108 H174 N6 O12 -","2","1","","Ni, Xin-Long; Rahman, Shofiur; Wang, Shi; Jin, Cheng-Cheng; Zeng, Xi; Hughes, David L.; Redshaw, Carl; Yamato, Takehiko","Hexahomotrioxacalix[3]arene derivatives as ionophores for molecular recognition of dopamine, serotonin and phenylethylamine.","Organic & biomolecular chemistry","2012","10","23","4618","4626","10.1039/c2ob25177a","","","0.71073","Mo-Kα","","0.0759","0.0554","","","0.1463","0.1567","","","","","","1.061","","","","has coordinates,has disorder","180309","2020-10-21","18:00:00",""
"7152365","11.1369","0.0019","18.913","0.003","4.0311","0.0007","90","","90","","90","","849.1","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-Amino-2,8-dimethyl-6<i>H</i>-pyrimido[1,2-<i>a</i>][1,3,5]triazin-6-one","","- C8 H9 N5 O -","- C8 H9 N5 O -","- C32 H36 N20 O4 -","4","1","","Sachdeva, Nikhil; Dolzhenko, Anton V.; Keung Chui, Wai","Regioselective synthesis of pyrimido[1,2-a][1,3,5]triazin-6-ones via reaction of 1-(6-oxo-1,6-dihydropyrimidin-2-yl)guanidines with triethylorthoacetate: observation of an unexpected rearrangement.","Organic & biomolecular chemistry","2012","10","23","4586","4596","10.1039/c2ob25195g","","","0.71073","MoKα","","0.0588","0.0527","","","0.1137","0.1169","","","","","","1.145","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152366","9.1448","0.0013","6.7638","0.001","22.369","0.003","90","","94.61","0.003","90","","1379.1","0.3","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H19 N5 O4 -","- C10 H19 N5 O4 -","- C40 H76 N20 O16 -","4","1","","Sachdeva, Nikhil; Dolzhenko, Anton V.; Keung Chui, Wai","Regioselective synthesis of pyrimido[1,2-a][1,3,5]triazin-6-ones via reaction of 1-(6-oxo-1,6-dihydropyrimidin-2-yl)guanidines with triethylorthoacetate: observation of an unexpected rearrangement.","Organic & biomolecular chemistry","2012","10","23","4586","4596","10.1039/c2ob25195g","","","0.71073","MoKα","","0.0611","0.053","","","0.1473","0.1559","","","","","","1.079","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152367","7.4179","0.0009","11.2238","0.0015","17.288","0.002","90","","90","","90","","1439.3","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H20 N6 O -","- C14 H20 N6 O -","- C56 H80 N24 O4 -","4","1","","Sachdeva, Nikhil; Dolzhenko, Anton V.; Keung Chui, Wai","Regioselective synthesis of pyrimido[1,2-a][1,3,5]triazin-6-ones via reaction of 1-(6-oxo-1,6-dihydropyrimidin-2-yl)guanidines with triethylorthoacetate: observation of an unexpected rearrangement.","Organic & biomolecular chemistry","2012","10","23","4586","4596","10.1039/c2ob25195g","","","0.71073","MoKα","","0.0519","0.0478","","","0.1168","0.1193","","","","","","1.061","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152368","8.5632","0.0003","11.8122","0.0004","10.9084","0.0004","90","","91.69","0.001","90","","1102.91","0.07","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H29 B N2 O6 -","- C20 H29 B N2 O6 -","- C40 H58 B2 N4 O12 -","2","1","","Martínez-Castro, Elisa; González-Benjumea, Alejandro; López, Oscar; Maya, Inés; Alvarez, Eleuterio; Fernández-Bolaños, José G","Intramolecular cyclization of alkoxyaminosugars: access to novel glycosidase inhibitor families.","Organic & biomolecular chemistry","2012","10","21","4220","4228","10.1039/c2ob25213a","","","0.71073","MoKα","","0.0368","0.0339","","","0.0863","0.0889","","","","","","1.033","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152369","29.5615","0.001","12.2972","0.0003","10.5852","0.0004","90","","110.902","0.004","90","","3594.7","0.2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 Cl2 N2 O3 -","- C19 H16 Cl2 N2 O3 -","- C152 H128 Cl16 N16 O24 -","8","1","","Harding, Sarah L.; Savage, G. Paul","Facial selectivity induced by N-aryl atropisomerism in benzonitrile oxide cycloadditions with 4-methylene-2-oxazolidinones.","Organic & biomolecular chemistry","2012","10","24","4759","4766","10.1039/c2ob25271f","","","0.71073","MoKα","","0.0515","0.0385","","","0.0915","0.1002","","","","","","1.027","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152370","9.9538","0.0003","14.0904","0.0004","9.3597","0.0003","90","","105.647","0.003","90","","1264.08","0.07","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C56 H68 N4 O8 -","4","1","","Harding, Sarah L.; Savage, G. Paul","Facial selectivity induced by N-aryl atropisomerism in benzonitrile oxide cycloadditions with 4-methylene-2-oxazolidinones.","Organic & biomolecular chemistry","2012","10","24","4759","4766","10.1039/c2ob25271f","","","0.71073","MoKα","","0.0574","0.0447","","","0.1184","0.128","","","","","","1.052","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152371","9.3763","0.0007","11.1992","0.0009","13.5473","0.0011","90","","107.455","0.002","90","","1357.06","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Cl4 Pd Sn -","- C8 H12 Cl4 Pd Sn -","- C32 H48 Cl16 Pd4 Sn4 -","4","1","","Das, Debjit; Pratihar, Sanjay; Roy, Ujjal Kanti; Mal, Dipakranjan; Roy, Sujit","First example of a heterobimetallic 'Pd-Sn' catalyst for direct activation of alcohol: efficient allylation, benzylation and propargylation of arenes, heteroarenes, active methylenes and allyl-Si nucleophiles.","Organic & biomolecular chemistry","2012","10","23","4537","4542","10.1039/c2ob25275a","","","0.71073","MoKα","","0.0348","0.0251","","","0.0542","0.0574","","","","","","1.029","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7152372","25.2489","0.0006","15.9776","0.0003","7.6958","0.0001","90","","90","","90","","3104.62","0.1","293","2","293","2","","","","","","","synthesis as described","4","P n a 21","P 2c -2n","33","","","","- C29 H46 O5 Si2 -","- C29 H46 O5 Si2 -","- C116 H184 O20 Si8 -","4","1","","Dubois, Sébastien; Rodier, Fabien; Blanc, Romain; Rahmani, Raphaël; Héran, Virginie; Thibonnet, Jérôme; Commeiras, Laurent; Parrain, Jean-Luc","Dramatic influence of the substitution of alkylidene-5H-furan-2-ones in Diels-Alder cycloadditions with o-quinonedimethide as diene partner: en route to the CDEF polycyclic ring system of lactonamycin.","Organic & biomolecular chemistry","2012","10","24","4712","4719","10.1039/c2ob25299f","","x-ray","0.71073","MoKα","","0.0765","0.054","","","0.1436","0.1683","","","","","","1.183","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152373","8.569","0.0002","8.7336","0.0002","11.8798","0.0003","81.646","0.001","85.931","0.001","88.264","0.002","877.23","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 N O5 P -","- C19 H18 N O5 P -","- C38 H36 N2 O10 P2 -","2","1","","Duncanson, Philip; Cheong, Yuen-Ki; Motevalli, Majid; Griffiths, D. Vaughan","A novel approach to isoindolo[2,1-a]indol-6-ones.","Organic & biomolecular chemistry","2012","10","21","4266","4279","10.1039/c2ob25314c","","","0.71073","MoKα","","0.0498","0.0408","","","0.0982","0.1037","","","","","","1.052","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152374","22.2526","0.0005","7.0132","0.0002","25.1963","0.0006","90","","106.297","0.002","90","","3774.19","0.17","120","2","120","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C23 H20 N O5 P -","- C23 H20 N O5 P -","- C184 H160 N8 O40 P8 -","8","1","","Duncanson, Philip; Cheong, Yuen-Ki; Motevalli, Majid; Griffiths, D. Vaughan","A novel approach to isoindolo[2,1-a]indol-6-ones.","Organic & biomolecular chemistry","2012","10","21","4266","4279","10.1039/c2ob25314c","","","0.71073","MoKα","","0.0747","0.054","","","0.1035","0.1142","","","","","","1.092","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152375","12.4096","0.0003","9.6934","0.0002","27.4755","0.0007","90","","92.943","0.001","90","","3300.7","0.13","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 Cl2 N O5 P -","- C15 H14 Cl2 N O5 P -","- C120 H112 Cl16 N8 O40 P8 -","8","2","","Duncanson, Philip; Cheong, Yuen-Ki; Motevalli, Majid; Griffiths, D. Vaughan","A novel approach to isoindolo[2,1-a]indol-6-ones.","Organic & biomolecular chemistry","2012","10","21","4266","4279","10.1039/c2ob25314c","","","0.71073","MoKα","","0.0838","0.0648","","","0.1204","0.1298","","","","","","1.144","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152376","3.7524","0.0007","12.666","0.003","21.009","0.004","90","","90","","90","","998.5","0.4","120","2","120","2","","","","","","","","5","P 21 n b","P -2bc 2a","33","","","","- C11 H5 Cl2 N O2 -","- C11 H5 Cl2 N O2 -","- C44 H20 Cl8 N4 O8 -","4","1","","Duncanson, Philip; Cheong, Yuen-Ki; Motevalli, Majid; Griffiths, D. Vaughan","A novel approach to isoindolo[2,1-a]indol-6-ones.","Organic & biomolecular chemistry","2012","10","21","4266","4279","10.1039/c2ob25314c","","","0.71073","MoKα","","0.0983","0.0842","","","0.2141","0.226","","","","","","1.078","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152377","10.344","0.004","13.082","0.005","14.935","0.006","85.488","0.009","83.72","0.008","80.284","0.009","1976.3","1.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H44 N4 O Si -","- C50 H44 N4 O Si -","- C100 H88 N8 O2 Si2 -","2","1","","Toganoh, Motoki; Yamamoto, Takaaki; Hihara, Takayoshi; Akimaru, Hisanori; Furuta, Hiroyuki","Regulation of NH-tautomerism in N-confused porphyrin by N-alkylation.","Organic & biomolecular chemistry","2012","10","22","4367","4374","10.1039/c2ob25351h","","","0.71069","MoKα","","0.1429","0.062","","","0.1426","0.1653","","","","","","0.854","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152378","10.881","0.004","12.396","0.005","14.261","0.006","84.614","0.014","73.106","0.011","74.751","0.013","1775.4","1.2","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H34 Cl2 N4 -","- C46 H34 Cl2 N4 -","- C92 H68 Cl4 N8 -","2","1","","Toganoh, Motoki; Yamamoto, Takaaki; Hihara, Takayoshi; Akimaru, Hisanori; Furuta, Hiroyuki","Regulation of NH-tautomerism in N-confused porphyrin by N-alkylation.","Organic & biomolecular chemistry","2012","10","22","4367","4374","10.1039/c2ob25351h","","","0.71075","MoKα","","0.0806","0.0696","","","0.1837","0.1934","","","","","","1.065","","","","has coordinates,has disorder","180309","2020-10-21","18:00:00",""
"7152379","9.315","0.003","10.631","0.004","15.819","0.005","90","","90","","90","","1566.5","0.9","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 Br N2 O3 -","- C17 H13 Br N2 O3 -","- C68 H52 Br4 N8 O12 -","4","1","","Jia, Yang; Yang, Wen; Du, Da-Ming","Asymmetric Friedel-Crafts alkylation of indoles with 3-nitro-2H-chromenes catalyzed by diphenylamine-linked bis(oxazoline) and bis(thiazoline) Zn(II) complexes.","Organic & biomolecular chemistry","2012","10","24","4739","4746","10.1039/c2ob25360g","","","0.71073","MoKα","","0.0481","0.0291","","","0.0367","0.0377","","","","","","0.988","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7152380","7.106","0.003","14.861","0.003","11.691","0.003","90","","101.499","0.016","90","","1209.8","0.6","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C48 H72 O12 -","4","1","","Defaut, Benedicte; Parsons, Thomas B.; Spencer, Neil; Male, Louise; Kariuki, Benson M.; Grainger, Richard S.","Synthesis of the trans-hydrindane core of dictyoxetane.","Organic & biomolecular chemistry","2012","10","25","4926","4932","10.1039/c2ob25384d","","","1.54178","CuKα","","0.0735","0.0497","","","0.1273","0.1473","","","","","","1.068","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152381","10.0589","0.0001","10.5323","0.0001","12.3056","0.0001","90","","100.646","0.001","90","","1281.26","0.02","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 O4 S -","- C13 H18 O4 S -","- C52 H72 O16 S4 -","4","1","","Defaut, Benedicte; Parsons, Thomas B.; Spencer, Neil; Male, Louise; Kariuki, Benson M.; Grainger, Richard S.","Synthesis of the trans-hydrindane core of dictyoxetane.","Organic & biomolecular chemistry","2012","10","25","4926","4932","10.1039/c2ob25384d","","","1.54178","CuKα","","0.0314","0.0306","","","0.0849","0.0857","","","","","","1.018","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152382","7.4247","0.0007","9.3395","0.0009","16.7423","0.0015","90","","90","","90","","1160.96","0.19","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 N O6 -","- C10 H15 N O6 -","- C40 H60 N4 O24 -","4","1","","Kamimura, Akio; Miyazaki, Koichiro; Suzuki, Shuzo; Ishikawa, Shingo; Uno, Hidemitsu","Total synthesis of ent-calystegine B4 via nitro-Michael/aldol reaction.","Organic & biomolecular chemistry","2012","10","22","4362","4366","10.1039/c2ob25386k","","","0.7107","MoKα","","0.0342","0.0327","","","0.0823","0.0833","","","","","","1.101","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152383","10.8043","0.0004","5.7743","0.0002","14.0245","0.0005","90","","110.062","0.0018","90","","821.86","0.05","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H25 N O6 -","- C15 H25 N O6 -","- C30 H50 N2 O12 -","2","1","","Kamimura, Akio; Miyazaki, Koichiro; Suzuki, Shuzo; Ishikawa, Shingo; Uno, Hidemitsu","Total synthesis of ent-calystegine B4 via nitro-Michael/aldol reaction.","Organic & biomolecular chemistry","2012","10","22","4362","4366","10.1039/c2ob25386k","","","1.54187","CuKα","","","0.0341","","","","0.0902","","","","","","1.086","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152384","11.0257","0.0006","7.5583","0.0004","14.7907","0.0009","90","","95.487","0.004","90","","1226.94","0.12","198","2","198","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H46 O2 -","- C27 H46 O2 -","- C54 H92 O4 -","2","1","","Saini, Ratni; Boland, Sebastian; Kataeva, Olga; Schmidt, Arndt W.; Kurzchalia, Teymuras V.; Knölker, Hans-Joachim","Stereoselective synthesis and hormonal activity of novel dafachronic acids and naturally occurring steroids isolated from corals.","Organic & biomolecular chemistry","2012","10","21","4159","4163","10.1039/c2ob25394a","","","0.71073","MoKα","","0.1005","0.0442","","","0.0837","0.0967","","","","","","0.829","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152385","11.658","0.003","6.105","0.002","17.568","0.005","90","","106.1","0.02","90","","1201.3","0.6","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H44 O2 -","- C27 H44 O2 -","- C54 H88 O4 -","2","1","","Saini, Ratni; Boland, Sebastian; Kataeva, Olga; Schmidt, Arndt W.; Kurzchalia, Teymuras V.; Knölker, Hans-Joachim","Stereoselective synthesis and hormonal activity of novel dafachronic acids and naturally occurring steroids isolated from corals.","Organic & biomolecular chemistry","2012","10","21","4159","4163","10.1039/c2ob25394a","","","0.71073","MoKα","","0.1092","0.0534","","","0.085","0.0957","","","","","","0.922","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152386","19.497","0.002","5.5899","0.0007","16.139","0.002","90","","106.361","0.003","90","","1687.7","0.3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C84 H80 N8 O8 -","4","1","","Shiva Kumar, K.; Rambabu, D.; Prasad, Bagineni; Mujahid, Mohammad; Krishna, G. Rama; Basaveswara Rao, M. V.; Malla Reddy, C.; Vanaja, G. R.; Kalle, Arunasree M.; Pal, Manojit","A new approach to construct a fused 2-ylidene chromene ring: highly regioselective synthesis of novel chromeno quinoxalines.","Organic & biomolecular chemistry","2012","10","24","4774","4781","10.1039/c2ob25416f","","","0.71073","MoKα","","0.0936","0.0579","","","0.1549","0.1905","","","","","","1.042","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152387","22.232","0.018","10.636","0.007","17.824","0.014","90","","133.986","0.007","90","","3032","4","153","2","153","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C41 H32 N4 -","- C41 H32 N4 -","- C164 H128 N16 -","4","0.5","","Murai, Toshiaki; Nagaya, Eri; Shibahara, Fumitoshi; Maruyama, Toshifumi","Imidazo[1,5-a]pyridine-1-ylalkylalcohols: synthesis via intramolecular cyclization of N-thioacyl 1,2-aminoalcohols and their silyl ethers and molecular structures.","Organic & biomolecular chemistry","2012","10","25","4943","4953","10.1039/c2ob25438g","","","0.7107","MoKα","","0.1551","0.1049","","","0.1825","0.2078","","","","","","1","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152388","8.513","0.002","23.17","0.006","11.837","0.003","90","","103.189","0.003","90","","2273.2","1","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 Cl2 N2 O -","- C28 H22 Cl2 N2 O -","- C112 H88 Cl8 N8 O4 -","4","1","","Murai, Toshiaki; Nagaya, Eri; Shibahara, Fumitoshi; Maruyama, Toshifumi","Imidazo[1,5-a]pyridine-1-ylalkylalcohols: synthesis via intramolecular cyclization of N-thioacyl 1,2-aminoalcohols and their silyl ethers and molecular structures.","Organic & biomolecular chemistry","2012","10","25","4943","4953","10.1039/c2ob25438g","","","0.7107","MoKα","","0.0637","0.0587","","","0.1159","0.1189","","","","","","1","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152389","25.97","0.02","4.887","0.004","11.168","0.009","90","","90","","90","","1417","2","203","2","203","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H14 N4 O -","- C18 H14 N4 O -","- C72 H56 N16 O4 -","4","1","","Murai, Toshiaki; Nagaya, Eri; Shibahara, Fumitoshi; Maruyama, Toshifumi","Imidazo[1,5-a]pyridine-1-ylalkylalcohols: synthesis via intramolecular cyclization of N-thioacyl 1,2-aminoalcohols and their silyl ethers and molecular structures.","Organic & biomolecular chemistry","2012","10","25","4943","4953","10.1039/c2ob25438g","","","0.7107","MoKα","","0.0532","0.0522","","","0.114","0.1145","","","","","","1","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152390","5.5779","0.0005","10.4276","0.001","31.686","0.003","90","","90","","90","","1843","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 O5 S -","- C18 H22 O5 S -","- C72 H88 O20 S4 -","4","1","","Pei, Cheng-Kui; Jiang, Yu; Shi, Min","Synthesis of optically active dihydropyrans from asymmetric [4 + 2] cycloaddition of β,γ-unsaturated α-ketoesters with allenic esters.","Organic & biomolecular chemistry","2012","10","22","4355","4361","10.1039/c2ob25475a","","","0.71073","MoKα","","0.0495","0.0447","","","0.1151","0.1188","","","","","","1.075","","","","has coordinates,has disorder","180309","2020-10-21","18:00:00",""
"7152391","13.71","0.005","13.748","0.005","11.855","0.005","90","0.005","100.854","0.005","90","0.005","2194.5","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N3 O2 -","- C26 H25 N3 O2 -","- C104 H100 N12 O8 -","4","1","","Lin, Shaoxia; Wei, Ying; Liang, Fushun; Zhao, Baozhong; Liu, Yanling; Liu, Pengjun","Multi-component anion relay cascade of 1-acetylcyclopropanecarboxamides, aldehydes and acrylonitrile: access to biscyanoethylated furo[3,2-c]pyridinones.","Organic & biomolecular chemistry","2012","10","23","4571","4576","10.1039/c2ob25550b","","","0.71073","MoKα","","0.1189","0.0454","","","0.0933","0.0993","","","","","","0.858","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152392","4.1304","0.0002","12.9948","0.0005","21.5358","0.0009","90","","90","","90","","1155.91","0.09","150","2","150","2","","","","","","","synthesis as described","5","P c 21 n","P -2n -2ac","33","","","","- C9 H7 I2 N3 O -","- C9 H7 I2 N3 O -","- C36 H28 I8 N12 O4 -","4","1","","Chevallier, Floris; Blin, Thomas; Nagaradja, Elisabeth; Lassagne, Frédéric; Roisnel, Thierry; Halauko, Yury S.; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","Deproto-metallation and computed CH acidity of 2-aryl-1,2,3-triazoles.","Organic & biomolecular chemistry","2012","10","25","4878","4885","10.1039/c2ob25554e","","x-ray","0.71073","MoKα","","0.0235","0.0228","","","0.0498","0.0502","","","","","","1.056","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152393","7.8011","0.0019","9.106","0.002","15.558","0.004","90","","90","","90","","1105.2","0.5","150","2","150","2","","","","","","","synthesis as described","5","P 21 c n","P -2n 2a","33","","","","- C8 H4 Cl I2 N3 -","- C8 H4 Cl I2 N3 -","- C32 H16 Cl4 I8 N12 -","4","1","","Chevallier, Floris; Blin, Thomas; Nagaradja, Elisabeth; Lassagne, Frédéric; Roisnel, Thierry; Halauko, Yury S.; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","Deproto-metallation and computed CH acidity of 2-aryl-1,2,3-triazoles.","Organic & biomolecular chemistry","2012","10","25","4878","4885","10.1039/c2ob25554e","","x-ray","0.71073","MoKα","","0.0182","0.0178","","","0.0386","0.0388","","","","","","1.048","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152394","4.3176","0.0003","13.3505","0.001","15.2661","0.0012","90","","90","","90","","879.97","0.11","150","2","150","2","","","","","","","synthesis as described","4","P c 21 n","P -2n -2ac","33","","","","- C8 H6 I N3 -","- C8 H6 I N3 -","- C32 H24 I4 N12 -","4","1","","Chevallier, Floris; Blin, Thomas; Nagaradja, Elisabeth; Lassagne, Frédéric; Roisnel, Thierry; Halauko, Yury S.; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","Deproto-metallation and computed CH acidity of 2-aryl-1,2,3-triazoles.","Organic & biomolecular chemistry","2012","10","25","4878","4885","10.1039/c2ob25554e","","x-ray","0.71073","MoKα","","0.0228","0.0183","","","0.0398","0.0419","","","","","","1.064","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152395","4.2056","0.0005","13.2551","0.0018","17.169","0.002","90","","90","","90","","957.1","0.2","150","2","150","2","","","","","","","synthesis as described","5","P c 21 n","P -2n -2ac","33","","","","- C8 H5 Cl I N3 -","- C8 H5 Cl I N3 -","- C32 H20 Cl4 I4 N12 -","4","1","","Chevallier, Floris; Blin, Thomas; Nagaradja, Elisabeth; Lassagne, Frédéric; Roisnel, Thierry; Halauko, Yury S.; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","Deproto-metallation and computed CH acidity of 2-aryl-1,2,3-triazoles.","Organic & biomolecular chemistry","2012","10","25","4878","4885","10.1039/c2ob25554e","","x-ray","0.71073","MoKα","","0.0196","0.0183","","","0.0418","0.0424","","","","","","1.056","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152396","10.3473","0.0015","7.1028","0.0008","15.555","0.002","90","","104.138","0.006","90","","1108.6","0.3","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 I2 N3 -","- C9 H7 I2 N3 -","- C36 H28 I8 N12 -","4","1","","Chevallier, Floris; Blin, Thomas; Nagaradja, Elisabeth; Lassagne, Frédéric; Roisnel, Thierry; Halauko, Yury S.; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","Deproto-metallation and computed CH acidity of 2-aryl-1,2,3-triazoles.","Organic & biomolecular chemistry","2012","10","25","4878","4885","10.1039/c2ob25554e","","x-ray","0.71073","MoKα","","0.0282","0.0249","","","0.0588","0.0603","","","","","","1.134","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152397","7.7817","0.0006","10.5301","0.0008","14.2726","0.0011","79.833","0.004","89.092","0.004","80.124","0.004","1133.98","0.15","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C9 H7 I2 N3 O -","- C9 H7 I2 N3 O -","- C36 H28 I8 N12 O4 -","4","2","","Chevallier, Floris; Blin, Thomas; Nagaradja, Elisabeth; Lassagne, Frédéric; Roisnel, Thierry; Halauko, Yury S.; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","Deproto-metallation and computed CH acidity of 2-aryl-1,2,3-triazoles.","Organic & biomolecular chemistry","2012","10","25","4878","4885","10.1039/c2ob25554e","","x-ray","0.71073","MoKα","","0.049","0.0374","","","0.0895","0.0968","","","","","","1.032","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152398","10.8653","0.0004","7.707","0.0002","13.2464","0.0005","90","","93.5294","0.0018","90","","1107.13","0.07","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 Cl I2 N3 -","- C8 H4 Cl I2 N3 -","- C32 H16 Cl4 I8 N12 -","4","1","","Chevallier, Floris; Blin, Thomas; Nagaradja, Elisabeth; Lassagne, Frédéric; Roisnel, Thierry; Halauko, Yury S.; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","Deproto-metallation and computed CH acidity of 2-aryl-1,2,3-triazoles.","Organic & biomolecular chemistry","2012","10","25","4878","4885","10.1039/c2ob25554e","","x-ray","0.71073","MoKα","","0.0243","0.0224","","","0.056","0.0567","","","","","","1.277","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152399","7.993","0.002","14.366","0.004","8.736","0.002","90","","94.686","0.013","90","","999.8","0.4","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 I N3 -","- C9 H8 I N3 -","- C36 H32 I4 N12 -","4","1","","Chevallier, Floris; Blin, Thomas; Nagaradja, Elisabeth; Lassagne, Frédéric; Roisnel, Thierry; Halauko, Yury S.; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","Deproto-metallation and computed CH acidity of 2-aryl-1,2,3-triazoles.","Organic & biomolecular chemistry","2012","10","25","4878","4885","10.1039/c2ob25554e","","x-ray","0.71073","MoKα","","0.0373","0.0337","","","0.0783","0.0799","","","","","","1.095","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152400","5.3015","0.0002","12.8502","0.0005","25.7032","0.0009","90","","90","","90","","1751.04","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(2-fluorophenyl)-5-(4-methylbenzyl)-3-phenyl-1H-pyrazole","","- C23 H19 F N2 -","- C23 H19 F N2 -","- C92 H76 F4 N8 -","4","1","","Borkin, Dmitry A.; Puscau, Mirela; Carlson, Alena; Solan, Agnes; Wheeler, Kraig A.; Török, Béla; Dembinski, Roman","Synthesis of diversely 1,3,5-trisubstituted pyrazoles via 5-exo-dig cyclization.","Organic & biomolecular chemistry","2012","10","23","4505","4508","10.1039/c2ob25580d","","","1.54178","CuKα","","0.0398","0.0333","","","0.0767","0.0799","","","","","","1.041","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152401","7.5034","0.0002","12.2919","0.0004","13.0178","0.0004","90","","90","","90","","1200.65","0.06","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","SAW694 IC-1","","","- C12 H17 N O3 -","- C12 H17 N O3 -","- C48 H68 N4 O12 -","4","1","","Warren, Sarah A.; Stokes, Stephen; Frampton, Christopher S.; White, Andrew J. P.; Spivey, Alan C.","Synthesis of anti and syn hydroxy-iso-evoninic acids.","Organic & biomolecular chemistry","2012","10","24","4685","4688","10.1039/c2ob25625h","","","1.54178","CuKα","","0.0338","0.0302","","","0.0734","0.076","","","","","","1.006","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152402","5.97836","0.00004","12.6707","0.00007","15.76352","0.00009","90","","90","","90","","1194.09","0.012","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 N O3 -","- C12 H17 N O3 -","- C48 H68 N4 O12 -","4","1","","Warren, Sarah A.; Stokes, Stephen; Frampton, Christopher S.; White, Andrew J. P.; Spivey, Alan C.","Synthesis of anti and syn hydroxy-iso-evoninic acids.","Organic & biomolecular chemistry","2012","10","24","4685","4688","10.1039/c2ob25625h","","","1.54184","CuKα","","0.0264","0.0262","","","0.0723","0.0726","","","","","","1.049","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152403","5.6867","0.0002","10.1514","0.0004","22.3376","0.0009","85.717","0.002","83.067","0.002","84.035","0.002","1270.62","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H9 Cl3 O4 -","- C11 H9 Cl3 O4 -","- C44 H36 Cl12 O16 -","4","2","","Jaiswal, Rakesh; Dickman, Michael H.; Kuhnert, Nikolai","First diastereoselective synthesis of methyl caffeoyl- and feruloyl-muco-quinates.","Organic & biomolecular chemistry","2012","10","27","5266","5277","10.1039/c2ob25124h","","","0.71073","MoKα","","0.0728","0.0436","","","0.0908","0.103","","","","","","1.032","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152404","9.0784","0.0008","9.583","0.0007","9.3296","0.0009","90","","104.683","0.004","90","","785.15","0.12","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H24 O8 -","- C14 H24 O8 -","- C28 H48 O16 -","2","1","","Jaiswal, Rakesh; Dickman, Michael H.; Kuhnert, Nikolai","First diastereoselective synthesis of methyl caffeoyl- and feruloyl-muco-quinates.","Organic & biomolecular chemistry","2012","10","27","5266","5277","10.1039/c2ob25124h","","","0.71073","MoKα","","0.0512","0.0393","","","0.0961","0.1047","","","","","","1.059","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152405","10.0094","0.0011","12.121","0.001","12.9524","0.0012","90","","90","","90","","1571.4","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H24 O8 -","- C14 H24 O8 -","- C56 H96 O32 -","4","1","","Jaiswal, Rakesh; Dickman, Michael H.; Kuhnert, Nikolai","First diastereoselective synthesis of methyl caffeoyl- and feruloyl-muco-quinates.","Organic & biomolecular chemistry","2012","10","27","5266","5277","10.1039/c2ob25124h","","","0.71073","MoKα","","0.0552","0.0389","","","0.0923","0.0991","","","","","","1.078","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152406","8.7884","0.0005","9.8407","0.0004","17.4343","0.001","79.265","0.003","85.517","0.004","66.444","0.003","1357.94","0.13","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H16 O4 -","- C15 H16 O4 -","- C60 H64 O16 -","4","2","","Jaiswal, Rakesh; Dickman, Michael H.; Kuhnert, Nikolai","First diastereoselective synthesis of methyl caffeoyl- and feruloyl-muco-quinates.","Organic & biomolecular chemistry","2012","10","27","5266","5277","10.1039/c2ob25124h","","","0.71073","MoKα","","0.1091","0.0505","","","0.1171","0.1428","","","","","","0.998","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152407","7.8579","0.0009","10.1629","0.0011","11.0489","0.0012","90","","90.616","0.004","90","","882.3","0.17","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O2 -","- C20 H30 O2 -","- C40 H60 O4 -","2","1","","Zou, Juan; Pan, Lutai; Li, Qiji; Pu, Jianxin; Yao, Ping; Zhu, Min; Banas, Jeffrey A.; Zhang, Hongjie; Sun, Handong","Rubesanolides C-E: abietane diterpenoids isolated from Isodon rubescens and evaluation of their anti-biofilm activity.","Organic & biomolecular chemistry","2012","10","26","5039","5044","10.1039/c2ob25192b","","","0.71073","MoKα","","0.054","0.0486","","","0.131","0.1358","","","","","","1.051","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152408","6.6246","0.0001","16.0121","0.0002","16.5233","0.0002","90","","90","","90","","1752.69","0.04","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C80 H120 O16 -","4","1","","Zou, Juan; Pan, Lutai; Li, Qiji; Pu, Jianxin; Yao, Ping; Zhu, Min; Banas, Jeffrey A.; Zhang, Hongjie; Sun, Handong","Rubesanolides C-E: abietane diterpenoids isolated from Isodon rubescens and evaluation of their anti-biofilm activity.","Organic & biomolecular chemistry","2012","10","26","5039","5044","10.1039/c2ob25192b","","","1.54178","CuKα","","0.0339","0.0335","","","0.0948","0.0952","","","","","","1.086","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152409","10.19","0.0009","11.952","0.0011","14.064","0.0013","83.637","0.002","82.432","0.001","68.667","0.001","1577.9","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H29 Br Cl N7 O4 -","- C29 H29 Br Cl N7 O4 -","- C58 H58 Br2 Cl2 N14 O8 -","2","1","","Li, Jing; Yu, Yan; Tu, Man-Su; Jiang, Bo; Wang, Shu-Liang; Tu, Shu-Jiang","New domino heteroannulation of enaminones: synthesis of diverse fused naphthyridines.","Organic & biomolecular chemistry","2012","10","28","5361","5365","10.1039/c2ob25349f","","","0.71073","MoKα","","0.2931","0.1395","","","0.3371","0.4255","","","","","","1.039","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152410","13.63","0.0005","10.2681","0.0003","22.3237","0.0006","90","","119.548","0.002","90","","2717.96","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H33 N P2 S -","- C30 H33 N P2 S -","- C120 H132 N4 P8 S4 -","4","1","","El Hajjouji, Hajar; Belmonte, Eva; García-López, Jesús; Fernández, Ignacio; Iglesias, María José; Roces, Laura; García-Granda, Santiago; El Laghdach, Anas; López Ortiz, Fernando","Transformations of diphenylphosphinothioic acid tertiary amides mediated by directed ortho metallation.","Organic & biomolecular chemistry","2012","10","29","5647","5658","10.1039/c2ob25395j","","","0.71073","MoKα","","0.0443","0.0423","","","0.108","0.1095","","","","","","1.027","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152411","10.6237","0.0001","16.3773","0.0002","15.8989","0.0002","90","","125.406","0.001","90","","2254.65","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 N P S Sn -","- C21 H32 N P S Sn -","- C84 H128 N4 P4 S4 Sn4 -","4","1","","El Hajjouji, Hajar; Belmonte, Eva; García-López, Jesús; Fernández, Ignacio; Iglesias, María José; Roces, Laura; García-Granda, Santiago; El Laghdach, Anas; López Ortiz, Fernando","Transformations of diphenylphosphinothioic acid tertiary amides mediated by directed ortho metallation.","Organic & biomolecular chemistry","2012","10","29","5647","5658","10.1039/c2ob25395j","","","1.54184","CuKα","","0.0301","0.0272","","","0.0686","0.0708","","","","","","1.045","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152412","5.7182","0.0003","12.0175","0.0007","30.1828","0.0017","90","","90","","90","","2074.1","0.2","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 Cl2 N2 O2 -","- C20 H30 Cl2 N2 O2 -","- C80 H120 Cl8 N8 O8 -","4","1","","Ortiz, Adrian; Young, Ian S.; Sawyer, James R.; Hsiao, Yi; Singh, Amarjit; Sugiyama, Masano; Corbett, R. Michael; Chau, Melissa; Shi, Zhongping; Conlon, David A.","Synthetic approaches to a chiral 4-amino-3-hydroxy piperidine with pharmaceutical relevance.","Organic & biomolecular chemistry","2012","10","27","5253","5257","10.1039/c2ob25411e","","","1.54178","CuKα","","0.0402","0.0372","","","0.0966","0.0979","","","","","","1.101","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152413","7.5722","0.0004","9.8018","0.0005","10.6602","0.0005","75.7436","0.0014","72.7353","0.0014","80.784","0.0013","729.05","0.06","123","","123","","","","101","","","","4,4-dimethylpyrrolidine-3-carboxylic acid","5","P 1","P 1","1","N-nosyl 4,4-dimethylpyrrolidine-3-carboxylic acid","(S)-N-(2-nitrophenylsulphonyl)-4,4-dimethylpyrrolidine-3-carboxylic acid","","- C13 H16 N2 O6 S -","- C13 H16 N2 O6 S -","- C26 H32 N4 O12 S2 -","2","2","","Yoshida, Masanori; Masaki, Erika; Ikehara, Hiroto; Hara, Shoji","Enantioselective synthesis of gabapentin analogues via organocatalytic asymmetric Michael addition of α-branched aldehydes to β-nitroacrylates.","Organic & biomolecular chemistry","2012","10","27","5289","5297","10.1039/c2ob25413a","","x-ray","0.71075","MoKa","","","0.044","","","","0.1235","","","","","","1.09","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152414","7.6251","0.0004","10.1757","0.0005","12.2433","0.0006","104.314","0.001","91.763","0.001","100.041","0.001","903.66","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H42 N12 O S2 -","- C20 H21 N6 O0.5 S -","- C40 H42 N12 O S2 -","2","1","","Adepu, Raju; Rambabu, D.; Prasad, Bagineni; Meda, Chandana Lakshmi T.; Kandale, Ajit; Rama Krishna, G.; Malla Reddy, C.; Chennuru, Lakshmi N.; Parsa, Kishore V. L.; Pal, Manojit","Novel thieno[2,3-d]pyrimidines: their design, synthesis, crystal structure analysis and pharmacological evaluation.","Organic & biomolecular chemistry","2012","10","29","5554","5569","10.1039/c2ob25420d","","","0.71073","MoKα","","0.0527","0.0429","","","0.1316","0.1426","","","","","","0.998","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152415","11.092","0.005","11.448","0.005","15.672","0.007","89.924","0.008","89.583","0.009","62.283","0.007","1761.7","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 N3 O3 S -","- C19 H19 N3 O3 S -","- C76 H76 N12 O12 S4 -","4","2","","Adepu, Raju; Rambabu, D.; Prasad, Bagineni; Meda, Chandana Lakshmi T.; Kandale, Ajit; Rama Krishna, G.; Malla Reddy, C.; Chennuru, Lakshmi N.; Parsa, Kishore V. L.; Pal, Manojit","Novel thieno[2,3-d]pyrimidines: their design, synthesis, crystal structure analysis and pharmacological evaluation.","Organic & biomolecular chemistry","2012","10","29","5554","5569","10.1039/c2ob25420d","","","0.71073","MoKα","","0.1761","0.138","","","0.3287","0.3472","","","","","","1.92","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152416","14.266","0.008","13.805","0.004","12.483","0.003","73.773","0.014","69.52","0.03","71.78","0.03","2147.3","1.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H58 O11 -","- C46 H58 O11 -","- C92 H116 O22 -","2","1","","Galli, Marzia; Berrocal, José Augusto; Di Stefano, Stefano; Cacciapaglia, Roberta; Mandolini, Luigi; Baldini, Laura; Casnati, Alessandro; Ugozzoli, Franco","Highly efficient intramolecular Cannizzaro reaction between 1,3-distal formyl groups at the upper rim of a cone-calix[4]arene.","Organic & biomolecular chemistry","2012","10","26","5109","5112","10.1039/c2ob25458a","","","1.54178","CuKα","","0.1216","0.0894","","","0.2518","0.2914","","","","","","1.065","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152417","56.216","0.011","4.9368","0.001","15.39","0.003","90","","101.42","0.03","90","","4186.6","1.5","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C21 H31 O6.5 -","- C21 H31 O6.5 -","- C168 H248 O52 -","8","2","","Zhang, Fan; Ding, Gang; Li, Li; Cai, Xiaoyue; Si, Yikang; Guo, Liangdong; Che, Yongsheng","Isolation, antimicrobial activity, and absolute configuration of the furylidene tetronic acid core of pestalotic acids A-G.","Organic & biomolecular chemistry","2012","10","27","5307","5314","10.1039/c2ob25469g","","","0.71073","MoKα","","0.1076","0.0853","","","0.1754","0.1886","","","","","","1.169","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152418","12.535","0.004","14.086","0.005","16.533","0.006","95.902","0.014","105.791","0.013","91.983","0.013","2788.2","1.7","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C51 H57 N15 O11 S3 -","- C51 H57 N15 O11 S3 -","- C102 H114 N30 O22 S6 -","2","1","","Aldrey, Anxela; Macías, Alejandro; Bastida, Rufina; Zaragoza, Guillermo; Rama, Gustavo; López, Miguel Vázquez","A chemosensor for dihydrogenphosphate based on an oxoazamacrocycle possessing three thiourea arms.","Organic & biomolecular chemistry","2012","10","28","5379","5384","10.1039/c2ob25498k","","x-ray","0.7107","MoKα","","0.1516","0.1011","","","0.2647","0.2891","","","","","","0.997","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152419","10.6022","0.0007","13.4737","0.001","18.5141","0.0014","79.826","0.004","84.575","0.004","89.938","0.004","2591.2","0.3","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C49 H51 F3 N12 O10 S3 -","- C49 H51 F3 N12 O10 S3 -","- C98 H102 F6 N24 O20 S6 -","2","1","","Aldrey, Anxela; Macías, Alejandro; Bastida, Rufina; Zaragoza, Guillermo; Rama, Gustavo; López, Miguel Vázquez","A chemosensor for dihydrogenphosphate based on an oxoazamacrocycle possessing three thiourea arms.","Organic & biomolecular chemistry","2012","10","28","5379","5384","10.1039/c2ob25498k","","x-ray","0.7107","MoKα","","0.1072","0.0568","","","0.1172","0.1416","","","","","","1.029","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152420","11.308","0.0009","11.3298","0.0009","15.5036","0.0008","76.884","0.003","88.093","0.002","85.182","0.002","1927.4","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C47.5 H45 N O2 P2 -","- C47.5 H45 N O2 P2 -","- C95 H90 N2 O4 P4 -","2","1","","Zagidullin, Almaz; Ganushevich, Yulia; Miluykov, Vasili; Krivolapov, Dmitry; Kataeva, Olga; Sinyashin, Oleg; Hey-Hawkins, Evamarie","Reactions of 1-alkyl-1,2-diphospholes with 1,3-dipoles: diphenyldiazomethane and nitrones.","Organic & biomolecular chemistry","2012","10","27","5298","5306","10.1039/c2ob25532d","","","0.71073","MoKα","","0.0495","0.0376","","","0.114","0.1211","","","","","","1.18","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152421","10.231","0.003","14.736","0.004","20.826","0.005","90","","102.29","0.004","90","","3067.9","1.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H37 N O2 P2 -","- C35 H37 N O2 P2 -","- C140 H148 N4 O8 P8 -","4","1","","Zagidullin, Almaz; Ganushevich, Yulia; Miluykov, Vasili; Krivolapov, Dmitry; Kataeva, Olga; Sinyashin, Oleg; Hey-Hawkins, Evamarie","Reactions of 1-alkyl-1,2-diphospholes with 1,3-dipoles: diphenyldiazomethane and nitrones.","Organic & biomolecular chemistry","2012","10","27","5298","5306","10.1039/c2ob25532d","","","0.71073","MoKα","","0.0694","0.0427","","","0.106","0.116","","","","","","0.962","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152422","10.726","0.001","19.139","0.002","19.555","0.002","90","","96.13","0.006","90","","3991.4","0.7","198","2","198","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H44 O1.5 P4 -","- C48 H44 O1.5 P4 -","- C192 H176 O6 P16 -","4","1","","Zagidullin, Almaz; Ganushevich, Yulia; Miluykov, Vasili; Krivolapov, Dmitry; Kataeva, Olga; Sinyashin, Oleg; Hey-Hawkins, Evamarie","Reactions of 1-alkyl-1,2-diphospholes with 1,3-dipoles: diphenyldiazomethane and nitrones.","Organic & biomolecular chemistry","2012","10","27","5298","5306","10.1039/c2ob25532d","","","0.71073","MoKα","","0.2242","0.0517","","","0.0586","0.0836","","","","","","0.696","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152423","10.185","0.002","10.3","0.002","15.865","0.004","72.942","0.002","82.792","0.002","67.62","0.002","1471.1","0.6","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","Dipolar cycloaddition reactions of 1-alkyl-1,2-diphospholes","","- C37 H32 P2 -","- C37 H32 P2 -","- C74 H64 P4 -","2","1","","Zagidullin, Almaz; Ganushevich, Yulia; Miluykov, Vasili; Krivolapov, Dmitry; Kataeva, Olga; Sinyashin, Oleg; Hey-Hawkins, Evamarie","Reactions of 1-alkyl-1,2-diphospholes with 1,3-dipoles: diphenyldiazomethane and nitrones.","Organic & biomolecular chemistry","2012","10","27","5298","5306","10.1039/c2ob25532d","","x-ray","0.71073","MoKα","","0.0598","0.0464","","","0.1397","0.1536","","","","","","0.873","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152424","25.7271","0.0018","5.6497","0.0004","13.2772","0.0009","90","","112.41","0.001","90","","1784.1","0.2","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H20 O6 -","- C20 H20 O6 -","- C80 H80 O24 -","4","1","","Williams, D Bradley G; Simelane, Sandile B.; Kinfe, Henok H.","Aluminium triflate catalysed O-glycosidation: temperature-switched selective Ferrier rearrangement or direct addition with alcohols.","Organic & biomolecular chemistry","2012","10","29","5636","5642","10.1039/c2ob25540e","","","0.71073","MoKα","","0.0299","0.0291","","","0.0782","0.0794","","","","","","1.024","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152425","5.771","0.0011","10.93","0.002","28.102","0.006","90","","90","","90","","1772.6","0.6","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 O3 -","- C21 H18 O3 -","- C84 H72 O12 -","4","1","","Ramachary, Dhevalapally B.; Mondal, Rumpa; Madhavachary, R.","Direct catalytic asymmetric synthesis of highly functionalized (2-ethynylphenyl)alcohols via Barbas-List aldol reaction: scope and synthetic applications.","Organic & biomolecular chemistry","2012","10","26","5094","5101","10.1039/c2ob25563d","","","0.71073","MoKα","","0.0668","0.0556","","","0.1239","0.1295","","","","","","1.116","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7152426","9.26806","0.00016","13.0043","0.0002","16.2697","0.0002","90","","90","","90","","1960.9","0.05","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H15 Br N4 O3 -","- C22 H15 Br N4 O3 -","- C88 H60 Br4 N16 O12 -","4","1","","Wei, Wen-Tao; Chen, Chun-Xia; Lu, Rui-Jiong; Wang, Jin-Jia; Zhang, Xue-Jing; Yan, Ming","Enantioselective synthesis of 3,3'-dihydropyrryl-spirooxindoles via an organocatalytic three-component reaction.","Organic & biomolecular chemistry","2012","10","27","5245","5252","10.1039/c2ob25629k","","","1.5418","CuKα","","0.0312","0.0272","","","0.0694","0.0853","","","","","","1.125","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152427","19.3107","0.0004","17.019","0.0004","23.1391","0.0004","90","","93.5198","0.001","90","","7590.3","0.3","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H82 N2 S2 Si4 -","- C68 H82 N2 S2 Si4 -","- C272 H328 N8 S8 Si16 -","4","1","","Maeda, Chihiro; Yoshioka, Naoki","Peripherally ethynylated carbazole-based core-modified porphyrins.","Organic & biomolecular chemistry","2012","10","27","5182","5185","10.1039/c2ob25645b","","","1.54187","CuKα","","0.1199","0.0991","","","0.2981","0.3224","","","","","","1.15","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7152428","8.1931","0.0002","11.5561","0.0003","13.5965","0.0004","65.465","0.001","89.457","0.001","70.356","0.001","1090.13","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","ethyl (2RS,3RS,5RS)-4-(4-bromophenyl)-2-(4-methoxyphenyl)-2,3,4,5-tetrohydro-2,5- epoxy-1,4-benzoxazepine-3-carboxylate","","- C25 H22 Br N O5 -","- C25 H22 Br N O5 -","- C50 H44 Br2 N2 O10 -","2","1","","Kadina, Anastasia P.; Khlebnikov, Alexander F.; Novikov, Mikhail S.; Pérez, Pedro J; Yufit, Dmitry S.","Intramolecular cycloaddition of azomethine ylides, from imines of O-acylsalicylic aldehyde and ethyl diazoacetate, to ester carbonyl - experimental and DFT computational study.","Organic & biomolecular chemistry","2012","10","29","5582","5591","10.1039/c2ob25676b","","","0.71073","MOKα","","0.0358","0.0283","","","0.0671","0.07","","","","","","1.097","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152429","11.9682","0.0003","13.505","0.0003","14.0716","0.0004","91.862","0.001","92.106","0.001","111.135","0.001","2117.42","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H63 N5 O3 -","- C47 H63 N5 O3 -","- C94 H126 N10 O6 -","2","1","","Mateus, Pedro; Delgado, Rita; Brandão, Paula; Félix, Vítor","A polyoxapolyaza macrobicyclic receptor for the recognition of zwitterions.","Organic & biomolecular chemistry","2012","10","29","5529","5532","10.1039/c2ob25725d","","","0.71073","MoKα","","0.0652","0.0495","","","0.1276","0.1387","","","","","","1.02","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152430","5.5086","0.0004","8.9755","0.0007","11.5642","0.0009","103.51","0.001","95.81","0.001","101.073","0.001","539.16","0.07","185","2","185","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C26 H26 N2 O4 -","2","1","","Liu, Xu; Xin, Xin; Xiang, Dexuan; Zhang, Rui; Kumar, Santosh; Zhou, Fenguo; Dong, Dewen","Facile and efficient synthesis of quinolin-2(1H)-ones via cyclization of penta-2,4-dienamides mediated by H(2)SO(4).","Organic & biomolecular chemistry","2012","10","29","5643","5646","10.1039/c2ob25767j","","","0.71073","MoKα","","0.0501","0.0432","","","0.1167","0.1239","","","","","","1.043","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152431","9.4738","0.0006","17.4767","0.0012","26.9117","0.0017","90","","90","","90","","4455.8","0.5","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H62 Cl2 Fe2 N2 O4 -","- C40 H62 Cl2 Fe2 N2 O4 -","- C160 H248 Cl8 Fe8 N8 O16 -","4","1","","Muthupandi, Pandi; Sekar, Govindasamy","Synthesis of an unusual dinuclear chiral iron complex and its application in asymmetric hydrophosphorylation of aldehydes.","Organic & biomolecular chemistry","2012","10","28","5347","5352","10.1039/c2ob25810b","","","0.71073","MoKα","","0.0577","0.037","","","0.0855","0.0999","","","","","","1.033","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152432","9.2365","0.0004","9.7935","0.0004","17.7681","0.0008","90","","101.569","0.003","90","","1574.61","0.12","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H14 Cl N O5 -","- C17 H14 Cl N O5 -","- C68 H56 Cl4 N4 O20 -","4","2","","Aitken, David J.; Bernard, Angela M.; Capitta, Francesca; Frongia, Angelo; Guillot, Régis; Ollivier, Jean; Piras, Pier Paolo; Secci, Francesco; Spiga, Marco","Very high stereoselectivity in organocatalyzed desymmetrizing aldol reactions of 3-substituted cyclobutanones.","Organic & biomolecular chemistry","2012","10","26","5045","5048","10.1039/c2ob25813g","","x-ray","0.71073","MoKα","","0.1446","0.0671","","","0.1311","0.1606","","","","","","1.023","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152433","8.7119","0.0013","12.724","0.0018","15.85","0.002","66.646","0.003","80.311","0.003","70.794","0.003","1521.8","0.4","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14 Cl N O4 -","- C17 H14 Cl N O4 -","- C68 H56 Cl4 N4 O16 -","4","2","","Aitken, David J.; Bernard, Angela M.; Capitta, Francesca; Frongia, Angelo; Guillot, Régis; Ollivier, Jean; Piras, Pier Paolo; Secci, Francesco; Spiga, Marco","Very high stereoselectivity in organocatalyzed desymmetrizing aldol reactions of 3-substituted cyclobutanones.","Organic & biomolecular chemistry","2012","10","26","5045","5048","10.1039/c2ob25813g","","x-ray","0.71073","MoKα","","0.0805","0.0484","","","0.1216","0.138","","","","","","1.044","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152434","9.1476","0.0009","10.5282","0.0011","19.4696","0.0018","90","","103.17","0.001","90","","1825.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 O2 S -","- C22 H16 N2 O2 S -","- C88 H64 N8 O8 S4 -","4","1","","Liu, Jia-Yan; Zhang, Hao; Feng, Bao-Ming; Jiang, Bo; Wang, Shu-Liang; Tu, Shu-Jiang","A multicomponent synthetic strategy for two-carbon-tethered 1,3-oxathiole-indole pairs.","Organic & biomolecular chemistry","2012","10","26","5036","5038","10.1039/c2ob25817j","","","0.71073","MoKα","","0.085","0.0448","","","0.0875","0.0993","","","","","","1.014","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152435","8.0391","0.0017","18.123","0.003","11.275","0.002","90","","105.499","0.009","90","","1582.9","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O6 -","- C19 H15 N O6 -","- C76 H60 N4 O24 -","4","1","","Siva Swaroop, Pandrangi; Raut, Gajanan N.; Gonnade, Rajesh G.; Verma, Priyanka; Gokhale, Rajesh S.; Srinivasa Reddy, D.","Antituberculosis agent diaportheone B: synthesis, absolute configuration assignment, and anti-TB activity of its analogues.","Organic & biomolecular chemistry","2012","10","28","5385","5394","10.1039/c2ob25831e","","","0.71073","MoKα","","0.0967","0.0718","","","0.1112","0.1192","","","","","","1.171","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152436","7.6833","0.0005","12.1129","0.0008","13.7371","0.0009","97.44","0.003","97.44","0.003","102.311","0.003","1222.16","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 Br2 O4 -","- C12 H10 Br2 O4 -","- C48 H40 Br8 O16 -","4","2","","Siva Swaroop, Pandrangi; Raut, Gajanan N.; Gonnade, Rajesh G.; Verma, Priyanka; Gokhale, Rajesh S.; Srinivasa Reddy, D.","Antituberculosis agent diaportheone B: synthesis, absolute configuration assignment, and anti-TB activity of its analogues.","Organic & biomolecular chemistry","2012","10","28","5385","5394","10.1039/c2ob25831e","","","0.71073","MoKα","","0.0306","0.0225","","","0.0492","0.0521","","","","","","1.045","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152437","13.574","0.006","17.699","0.008","21.533","0.009","90","","90","","90","","5173","4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Br2 O4 -","- C12 H10 Br2 O4 -","- C192 H160 Br32 O64 -","16","4","","Siva Swaroop, Pandrangi; Raut, Gajanan N.; Gonnade, Rajesh G.; Verma, Priyanka; Gokhale, Rajesh S.; Srinivasa Reddy, D.","Antituberculosis agent diaportheone B: synthesis, absolute configuration assignment, and anti-TB activity of its analogues.","Organic & biomolecular chemistry","2012","10","28","5385","5394","10.1039/c2ob25831e","","","0.71073","MoKα","","0.0702","0.0352","","","0.0513","0.0589","","","","","","1.02","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152438","11.27","0.002","12.954","0.002","13.331","0.001","90","","108.9","0.01","90","","1841.3","0.5","198","2","198","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Cl N O3 S -","- C21 H18 Cl N O3 S -","- C84 H72 Cl4 N4 O12 S4 -","4","1","","Börger, Carsten; Krahl, Micha P.; Gruner, Margit; Kataeva, Olga; Knölker, Hans-Joachim","First total synthesis of the biscarbazole alkaloid oxydimurrayafoline.","Organic & biomolecular chemistry","2012","10","27","5189","5193","10.1039/c2ob25842k","","","0.71073","MoKα","","0.065","0.0352","","","0.0728","0.0809","","","","","","1.018","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152439","10.5103","0.0013","13.662","0.0016","25.537","0.003","90","","90","","90","","3666.9","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H32 Cl2 N10 O8 -","- C40 H32 Cl2 N10 O8 -","- C160 H128 Cl8 N40 O32 -","4","1","","Zhou, Feng; Fu, Haoliang; Ong, Wei Qiang; Ye, Ruijuan; Yuan, Weixing; Lu, Yu-Jing; Huo, Yan-Ping; Zhang, Kun; Su, Haibin; Zeng, Huaqiang","Locking high energy 1D chain of dichloromethane molecules containing abnormally short ClCl contacts of 2.524 Å inside organic crystals.","Organic & biomolecular chemistry","2012","10","29","5525","5528","10.1039/c2ob25888a","","","0.71073","MoKα","","0.1167","0.0866","","","0.185","0.2012","","","","","","1.101","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152440","10.5003","0.0013","13.6695","0.0017","25.51","0.003","90","","90","","90","","3661.5","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H32 Cl2 N10 O8 -","- C40 H32 Cl2 N10 O8 -","- C160 H128 Cl8 N40 O32 -","4","1","","Zhou, Feng; Fu, Haoliang; Ong, Wei Qiang; Ye, Ruijuan; Yuan, Weixing; Lu, Yu-Jing; Huo, Yan-Ping; Zhang, Kun; Su, Haibin; Zeng, Huaqiang","Locking high energy 1D chain of dichloromethane molecules containing abnormally short ClCl contacts of 2.524 Å inside organic crystals.","Organic & biomolecular chemistry","2012","10","29","5525","5528","10.1039/c2ob25888a","","","0.71073","MoKα","","0.0764","0.0641","","","0.1579","0.1665","","","","","","1.067","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152441","12.3304","0.0017","12.3304","0.0017","38.821","0.008","90","","90","","90","","5902.3","1.7","173","2","173","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C33 H42 Cl N O4 -","- C33 H42 Cl N O4 -","- C264 H336 Cl8 N8 O32 -","8","1","","Chen, Song; Rong, Chao; Feng, Pengju; Li, Songlei; Shi, Yian","Stereoselective construction of the tetracyclic core of Cryptotrione.","Organic & biomolecular chemistry","2012","10","29","5518","5520","10.1039/c2ob25923k","","","0.71073","MoKα","","0.0932","0.0906","","","0.1577","0.1587","","","","","","1.321","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152442","7.2914","0.0002","13.7723","0.0003","17.2777","0.0004","90","","99.684","0.002","90","","1710.29","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N6 O2 -","- C18 H20 N6 O2 -","- C72 H80 N24 O8 -","4","1","","Gale, Philip A.; Hiscock, Jennifer R.; Lalaoui, Noémie; Light, Mark E.; Wells, Neil J.; Wenzel, Marco","Benzimidazole-based anion receptors: tautomeric switching and selectivity.","Organic & biomolecular chemistry","2012","10","30","5909","5915","10.1039/c1ob06800h","","","0.71073","MoKα","","0.0523","0.0444","","","0.1151","0.1222","","","","","","1.024","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152443","21.464","0.015","8.35","0.006","20.873","0.014","90","","98.375","0.012","90","","3701","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H50 F5 N5 O4 -","- C37 H50 F5 N5 O4 -","- C148 H200 F20 N20 O16 -","4","1","","Gale, Philip A.; Hiscock, Jennifer R.; Lalaoui, Noémie; Light, Mark E.; Wells, Neil J.; Wenzel, Marco","Benzimidazole-based anion receptors: tautomeric switching and selectivity.","Organic & biomolecular chemistry","2012","10","30","5909","5915","10.1039/c1ob06800h","","","0.71075","MoKα","","0.1445","0.1173","","","0.1791","0.1917","","","","","","1.269","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152444","16.627","0.004","8.9654","0.0018","17.878","0.004","90","","93.051","0.004","90","","2661.3","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H7 F5 N4 O -","- C14 H7 F5 N4 O -","- C112 H56 F40 N32 O8 -","8","2","","Gale, Philip A.; Hiscock, Jennifer R.; Lalaoui, Noémie; Light, Mark E.; Wells, Neil J.; Wenzel, Marco","Benzimidazole-based anion receptors: tautomeric switching and selectivity.","Organic & biomolecular chemistry","2012","10","30","5909","5915","10.1039/c1ob06800h","","","0.71075","MoKα","","0.068","0.0571","","","0.1081","0.113","","","","","","1.143","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152445","29.489","0.005","7.2109","0.0011","18.264","0.003","90","","119.114","0.008","90","","3393","1","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H21 N6 O3.5 -","- C17 H21 N6 O3.5 -","- C136 H168 N48 O28 -","8","1","","Gale, Philip A.; Hiscock, Jennifer R.; Lalaoui, Noémie; Light, Mark E.; Wells, Neil J.; Wenzel, Marco","Benzimidazole-based anion receptors: tautomeric switching and selectivity.","Organic & biomolecular chemistry","2012","10","30","5909","5915","10.1039/c1ob06800h","","","0.71073","MoKα","","0.0693","0.0567","","","0.1514","0.1606","","","","","","1.08","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7152446","8.2256","0.0014","11.0205","0.0018","18.212","0.003","90","","90","","90","","1650.9","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 Br F3 N O -","- C18 H13 Br F3 N O -","- C72 H52 Br4 F12 N4 O4 -","4","1","","Ye, Ke-Yin; Dai, Li-Xin; You, Shu-Li","Enantioselective synthesis of 2,5-dihydrobenzo[b]azepine derivatives via iridium-catalyzed asymmetric allylic amination with 2-allylanilines and ring-closing-metathesis reaction.","Organic & biomolecular chemistry","2012","10","30","5932","5939","10.1039/c2ob00036a","","","0.71073","MoKα","","0.0382","0.0302","","","0.0719","0.0751","","","","","","1.038","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152447","6.0553","0.0002","13.8095","0.0005","15.5347","0.0005","90","","90","","90","","1299.02","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N O5 -","- C14 H13 N O5 -","- C56 H52 N4 O20 -","4","1","","Ramachary, Dhevalapally B.; Madhavachary, R.; Prasad, M. Shiva","Observation of neighboring ortho-hydroxyl group participation in organocatalytic asymmetric sequential Michael-lactonization reactions: synthesis of highly substituted chiral spirodihydrocoumarins.","Organic & biomolecular chemistry","2012","10","30","5825","5829","10.1039/c2ob07122c","","","1.54184","CuKα","","0.0539","0.0438","","","0.1094","0.1146","","","","","","1.075","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152448","9.2659","0.0004","14.2973","0.0005","29.1661","0.0011","90","","90","","90","","3863.8","0.3","213.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H62 N2 O6 -","- C43 H62 N2 O6 -","- C172 H248 N8 O24 -","4","1","","Sasaki, Toshiyuki; Shizuki, Norie; Hiraishi, Eri; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Construction of multi-component supramolecular architectures of bile acids and cinchona alkaloids through helical-pitch-synchronized crystallization.","Organic & biomolecular chemistry","2012","10","30","5985","5992","10.1039/c2ob25072a","","","1.54187","CuKα","","","0.0862","","","","0.1872","","","","","","1.021","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152449","9.3208","0.0004","14.1964","0.0006","29.1726","0.0013","90","","90","","90","","3860.2","0.3","213.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H62 N2 O5 -","- C43 H62 N2 O5 -","- C172 H248 N8 O20 -","4","1","","Sasaki, Toshiyuki; Shizuki, Norie; Hiraishi, Eri; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Construction of multi-component supramolecular architectures of bile acids and cinchona alkaloids through helical-pitch-synchronized crystallization.","Organic & biomolecular chemistry","2012","10","30","5985","5992","10.1039/c2ob25072a","","","1.54187","CuKα","","","0.0613","","","","0.1779","","","","","","1.14","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152450","15.1052","0.0002","6.5375","0.0001","23.8816","0.0004","90","","95.864","0.0006","90","","2345.97","0.06","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H77 N2 O8 -","- C51 H78 N2 O8 -","- C102 H156 N4 O16 -","2","1","","Sasaki, Toshiyuki; Shizuki, Norie; Hiraishi, Eri; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Construction of multi-component supramolecular architectures of bile acids and cinchona alkaloids through helical-pitch-synchronized crystallization.","Organic & biomolecular chemistry","2012","10","30","5985","5992","10.1039/c2ob25072a","","","0.7","synchrotron","","","0.1076","","","","0.3477","","","","","","1.9","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152451","11.406","0.0006","7.8884","0.0004","27.0427","0.0014","90","","96.296","0.003","90","","2418.5","0.2","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H80 N2 O10 -","- C51 H80 N2 O10 -","- C102 H160 N4 O20 -","2","1","","Sasaki, Toshiyuki; Shizuki, Norie; Hiraishi, Eri; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Construction of multi-component supramolecular architectures of bile acids and cinchona alkaloids through helical-pitch-synchronized crystallization.","Organic & biomolecular chemistry","2012","10","30","5985","5992","10.1039/c2ob25072a","","","1.54187","CuKα","","","0.0865","","","","0.2553","","","","","","1.047","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152452","11.2617","0.0005","7.6842","0.0003","27.7084","0.0012","90","","93.487","0.002","90","","2393.37","0.18","213.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C52 H80 N2 O10 -","- C52 H80 N2 O10 -","- C104 H160 N4 O20 -","2","1","","Sasaki, Toshiyuki; Shizuki, Norie; Hiraishi, Eri; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Construction of multi-component supramolecular architectures of bile acids and cinchona alkaloids through helical-pitch-synchronized crystallization.","Organic & biomolecular chemistry","2012","10","30","5985","5992","10.1039/c2ob25072a","","","1.54187","CuKα","","","0.1664","","","","0.475","","","","","","1.327","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152453","4.641","0.002","10.535","0.003","15.936","0.004","90","","90","","90","","779.2","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 F O3 -","- C7 H9 F O3 -","- C28 H36 F4 O12 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Malone, John F.; McIntyre, Peter B. A.; Stevenson, Paul J.; Allen, Christopher C. R.; Kwit, Marcin; Gawronski, Jacek","Structure, stereochemistry and synthesis of enantiopure cyclohexenone cis-diol bacterial metabolites derived from phenols.","Organic & biomolecular chemistry","2012","10","30","6217","6229","10.1039/c2ob25079a","","","0.71073","MoKα","","0.0547","0.0448","","","0.1107","0.1151","","","","","","1.052","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152454","8.2716","0.0012","10.4218","0.0018","10.0531","0.0018","90","","106.384","0.013","90","","831.4","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 F O6 -","- C17 H21 F O6 -","- C34 H42 F2 O12 -","2","1","","Boyd, Derek R.; Sharma, Narain D.; Malone, John F.; McIntyre, Peter B. A.; Stevenson, Paul J.; Allen, Christopher C. R.; Kwit, Marcin; Gawronski, Jacek","Structure, stereochemistry and synthesis of enantiopure cyclohexenone cis-diol bacterial metabolites derived from phenols.","Organic & biomolecular chemistry","2012","10","30","6217","6229","10.1039/c2ob25079a","","","0.71073","MoKα","","0.0303","0.0276","","","0.0786","0.0806","","","","","","1.026","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152455","12.125","0.002","4.8704","0.0015","14.1","0.003","90","","92.283","0.006","90","","832","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H9 Cl O3 -","- C7 H9 Cl O3 -","- C28 H36 Cl4 O12 -","4","2","","Boyd, Derek R.; Sharma, Narain D.; Malone, John F.; McIntyre, Peter B. A.; Stevenson, Paul J.; Allen, Christopher C. R.; Kwit, Marcin; Gawronski, Jacek","Structure, stereochemistry and synthesis of enantiopure cyclohexenone cis-diol bacterial metabolites derived from phenols.","Organic & biomolecular chemistry","2012","10","30","6217","6229","10.1039/c2ob25079a","","","0.71073","MoKα","","0.085","0.0503","","","0.1098","0.1266","","","","","","1.038","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152456","11.185","0.005","11.218","0.01","10.307","0.005","104.76","0.05","91.6","0.04","100.21","0.05","1227.1","1.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 Cl3 N O4 -","- C22 H30 Cl3 N O4 -","- C44 H60 Cl6 N2 O8 -","2","1","","Hallett, David J.; Tanikkul, Nongluk; Thomas, Eric J.","Remote stereocontrol in reactions between 4- and 5-alkoxyalk-2-enylstannanes and 1-alkoxycarbonylimines and analogues: stereoselective approaches to novel α-amino acids.","Organic & biomolecular chemistry","2012","10","30","6130","6158","10.1039/c2ob25097g","","","1.54178","CuKα","","0.101","0.0725","","","0.204","0.2327","","","","","","1.092","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152457","9.681","0.003","28.33","0.01","6.26","0.002","90","","90","","90","","1716.9","1","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C80 H84 N4 O16 -","4","1","","Hallett, David J.; Tanikkul, Nongluk; Thomas, Eric J.","Remote stereocontrol in reactions between 4- and 5-alkoxyalk-2-enylstannanes and 1-alkoxycarbonylimines and analogues: stereoselective approaches to novel α-amino acids.","Organic & biomolecular chemistry","2012","10","30","6130","6158","10.1039/c2ob25097g","","","1.5418","CuKα","","0.1436","0.0735","","","0.1465","0.1915","","","","","","1.201","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152458","22.1832","0.0006","5.8375","0.0002","14.5119","0.0004","90","","105.895","0.0012","90","","1807.36","0.09","150","","150","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H31 N O4 -","- C16 H31 N O4 -","- C64 H124 N4 O16 -","4","1","","Davies, Stephen G.; Foster, Emma M.; Frost, Aileen B.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","On the origins of diastereoselectivity in the conjugate additions of the antipodes of lithium N-benzyl-(N-α-methylbenzyl)amide to enantiopure cis- and trans-dioxolane containing α,β-unsaturated esters.","Organic & biomolecular chemistry","2012","10","30","6186","6200","10.1039/c2ob25099c","","","0.71073","MoKα","","0.0494","0.0465","","0.121","0.1165","0.121","","","","","","0.9701","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152459","5.7565","0.0002","19.43","0.0008","8.1386","0.0003","90","","96.168","0.002","90","","905.02","0.06","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H31 N O4 -","- C16 H31 N O4 -","- C32 H62 N2 O8 -","2","1","","Davies, Stephen G.; Foster, Emma M.; Frost, Aileen B.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","On the origins of diastereoselectivity in the conjugate additions of the antipodes of lithium N-benzyl-(N-α-methylbenzyl)amide to enantiopure cis- and trans-dioxolane containing α,β-unsaturated esters.","Organic & biomolecular chemistry","2012","10","30","6186","6200","10.1039/c2ob25099c","","","0.71073","MoKα","","0.0433","0.0365","","0.0936","0.0839","0.0936","","","","","","0.9192","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152460","7.9717","0.0002","12.5518","0.0003","13.0678","0.0003","90","","95.5854","0.0009","90","","1301.35","0.05","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H39 N O4 -","- C28 H39 N O4 -","- C56 H78 N2 O8 -","2","1","","Davies, Stephen G.; Foster, Emma M.; Frost, Aileen B.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","On the origins of diastereoselectivity in the conjugate additions of the antipodes of lithium N-benzyl-(N-α-methylbenzyl)amide to enantiopure cis- and trans-dioxolane containing α,β-unsaturated esters.","Organic & biomolecular chemistry","2012","10","30","6186","6200","10.1039/c2ob25099c","","","0.71073","MoKα","","0.0457","0.0432","","0.1173","0.1153","0.1173","","","","","","0.9837","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152461","9.326","0.0002","13.7383","0.0003","20.3169","0.0006","90","","90","","90","","2603.07","0.11","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H39 N O4 -","- C28 H39 N O4 -","- C112 H156 N4 O16 -","4","1","","Davies, Stephen G.; Foster, Emma M.; Frost, Aileen B.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","On the origins of diastereoselectivity in the conjugate additions of the antipodes of lithium N-benzyl-(N-α-methylbenzyl)amide to enantiopure cis- and trans-dioxolane containing α,β-unsaturated esters.","Organic & biomolecular chemistry","2012","10","30","6186","6200","10.1039/c2ob25099c","","","0.71073","MoKα","","0.0451","0.0364","","0.0984","0.089","0.0984","","","","","","0.959","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152462","16.0394","0.0003","16.0394","0.0003","21.4724","0.0006","90","","90","","90","","5524","0.2","120","2","120","2","","","","","","","","4","P 41","P 4w","76","","","","- C47 H77 Cl5 O15 -","- C47 H77 Cl5 O15 -","- C188 H308 Cl20 O60 -","4","1","","Paterson, Ian; Anderson, Edward A.; Dalby, Stephen M.; Lim, Jong Ho; Maltas, Philip","The stereocontrolled total synthesis of spirastrellolide A methyl ester. Fragment coupling studies and completion of the synthesis.","Organic & biomolecular chemistry","2012","10","30","5873","5886","10.1039/c2ob25101a","","","0.71073","MoKα","","0.0637","0.0508","","","0.1168","0.1239","","","","","","1.083","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152463","6.95676","0.00013","12.7545","0.0003","24.6435","0.0005","90","","90","","90","","2186.62","0.08","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 N3 O5 S -","- C24 H21 N3 O5 S -","- C96 H84 N12 O20 S4 -","4","1","","Tsukano, Chihiro; Yokouchi, Shinsuke; Girard, Anne-Lise; Kuribayashi, Toshifumi; Sakamoto, Shota; Enomoto, Taro; Takemoto, Yoshiji","Platinum catalyzed 7-endo cyclization of internal alkynyl amides and its application to synthesis of the caprazamycin core.","Organic & biomolecular chemistry","2012","10","30","6074","6086","10.1039/c2ob25111f","","","1.54187","CuKα","","","0.0388","","","","0.0627","","","","","","1.829","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152464","8.831","0.002","9.455","0.003","21.605","0.006","90","","99.62","0.008","90","","1778.6","0.9","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Marek-70 (Bishnu)","","","- C18 H26 O4 -","- C18 H26 O4 -","- C72 H104 O16 -","4","1","","Mejuch, Tom; Dutta, Bishnu; Botoshansky, Mark; Marek, Ilan","Convergent diastereoselective preparation of adjacent quaternary stereocenters in an acyclic system.","Organic & biomolecular chemistry","2012","10","30","5803","5806","10.1039/c2ob25121c","","","0.71073","MoKα","","0.161","0.0795","","","0.2151","0.2578","","","","","","0.921","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152465","8.032","0.001","9.304","0.001","11.542","0.001","103.644","0.004","92.877","0.004","97.279","0.003","828.56","0.15","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Marek-88 ( Tom)","","","- C17 H24 O4 -","- C17 H24 O4 -","- C34 H48 O8 -","2","1","","Mejuch, Tom; Dutta, Bishnu; Botoshansky, Mark; Marek, Ilan","Convergent diastereoselective preparation of adjacent quaternary stereocenters in an acyclic system.","Organic & biomolecular chemistry","2012","10","30","5803","5806","10.1039/c2ob25121c","","","0.71073","MoKα","","0.0773","0.0599","","","0.1827","0.1958","","","","","","1.116","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152466","10.09","0.002","30.792","0.006","31.472","0.006","103.63","0.03","91.68","0.03","93.67","0.03","9473","3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H94 N12 O4 Zn2 -","- C120 H94 N12 O4 Zn2 -","- C480 H376 N48 O16 Zn8 -","4","2","","Mulholland, Amy R.; Thordarson, Pall; Mensforth, Emily J.; Langford, Steven J.","Porphyrin dyads linked by a rotatable 3,3'-biphenyl scaffold: a new binding motif for small ditopic molecules.","Organic & biomolecular chemistry","2012","10","30","6045","6053","10.1039/c2ob25147g","","","0.71254","synchrotron","","0.1346","0.0992","","","0.2726","0.3072","","","","","","1.016","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152467","13.087","0.003","13.192","0.002","14.62","0.003","103.23","0.02","107.21","0.03","108.81","0.02","2130.5","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Compound X","","","- C82 H100 Cl12 N6 O6 -","- C82 H100 Cl12 N6 O6 -","- C82 H100 Cl12 N6 O6 -","1","0.5","","Kaufmann, Lena; Dzyuba, Egor V.; Malberg, Friedrich; Löw, Nora L; Groschke, Matthias; Brusilowskij, Boris; Huuskonen, Juhani; Rissanen, Kari; Kirchner, Barbara; Schalley, Christoph A.","Substituent effects on axle binding in amide pseudorotaxanes: comparison of NMR titration and ITC data with DFT calculations.","Organic & biomolecular chemistry","2012","10","30","5954","5964","10.1039/c2ob25196e","","","1.54178","CuKα","","0.0956","0.0758","","","0.1974","0.216","","","","","","1.038","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152468","25.976","0.005","19.61","0.004","19.93","0.004","90","","126.21","0.03","90","","8191","4","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Compound X","","","- C88 H102 Cl6 N6 O6 -","- C88 H102 Cl6 N6 O6 -","- C352 H408 Cl24 N24 O24 -","4","0.5","","Kaufmann, Lena; Dzyuba, Egor V.; Malberg, Friedrich; Löw, Nora L; Groschke, Matthias; Brusilowskij, Boris; Huuskonen, Juhani; Rissanen, Kari; Kirchner, Barbara; Schalley, Christoph A.","Substituent effects on axle binding in amide pseudorotaxanes: comparison of NMR titration and ITC data with DFT calculations.","Organic & biomolecular chemistry","2012","10","30","5954","5964","10.1039/c2ob25196e","","","0.71073","MoKα","","0.1135","0.0695","","","0.1553","0.1742","","","","","","1.046","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152469","16.478","0.004","17.317","0.004","22.065","0.005","78.786","0.003","78.864","0.003","65.622","0.003","5580","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C107 H119.5 F12 N7.5 O25.5 S4 -","- C107 H118.5 F12 N7.5 O25.5 S4 -","- C214 H237 F24 N15 O51 S8 -","2","1","","Mercer, Darren J.; Yacoub, Joe; Zhu, Kelong; Loeb, Stephanie K.; Loeb, Stephen J.","[2]Pseudorotaxanes, [2]rotaxanes and metal-organic rotaxane frameworks containing tetra-substituted dibenzo[24]crown-8 wheels.","Organic & biomolecular chemistry","2012","10","30","6094","6104","10.1039/c2ob25200g","","","0.71073","MoKα","","0.1636","0.1114","","","0.3178","0.3647","","","","","","1.291","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152470","20.057","0.003","22.223","0.003","18.474","0.003","90","","109.497","0.002","90","","7762","2","173","2","173","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C119 H169 B6 Cd F24 N31 O60 -","- C96 H100 B6 Cd F24 N8 O14 -","- C192 H200 B12 Cd2 F48 N16 O28 -","2","1","","Mercer, Darren J.; Yacoub, Joe; Zhu, Kelong; Loeb, Stephanie K.; Loeb, Stephen J.","[2]Pseudorotaxanes, [2]rotaxanes and metal-organic rotaxane frameworks containing tetra-substituted dibenzo[24]crown-8 wheels.","Organic & biomolecular chemistry","2012","10","30","6094","6104","10.1039/c2ob25200g","","","0.71073","MoKα","","0.1188","0.0855","","","0.2214","0.2405","","","","","","0.926","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152471","18.248","0.009","20.018","0.01","28.528","0.014","90","","92.355","0.008","90","","10412","9","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C172 H158 F24 N18 O47 Ru2 S8 -","- C172 H152 F24 N18 O47 Ru2 S8 -","- C344 H304 F48 N36 O94 Ru4 S16 -","2","0.5","","Mercer, Darren J.; Yacoub, Joe; Zhu, Kelong; Loeb, Stephanie K.; Loeb, Stephen J.","[2]Pseudorotaxanes, [2]rotaxanes and metal-organic rotaxane frameworks containing tetra-substituted dibenzo[24]crown-8 wheels.","Organic & biomolecular chemistry","2012","10","30","6094","6104","10.1039/c2ob25200g","","","0.71073","MoKα","","0.4242","0.2267","","","0.4545","0.5573","","","","","","1.292","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152472","21.417","0.003","25.553","0.003","13.838","0.002","90","","103.228","0.002","90","","7372.2","1.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C138 H144 F12 N12 O39 S4 -","- C138 H126 F12 N12 O39 S4 -","- C276 H252 F24 N24 O78 S8 -","2","0.5","","Mercer, Darren J.; Yacoub, Joe; Zhu, Kelong; Loeb, Stephanie K.; Loeb, Stephen J.","[2]Pseudorotaxanes, [2]rotaxanes and metal-organic rotaxane frameworks containing tetra-substituted dibenzo[24]crown-8 wheels.","Organic & biomolecular chemistry","2012","10","30","6094","6104","10.1039/c2ob25200g","","","0.71073","MoKα","","0.2414","0.1361","","","0.2818","0.3449","","","","","","1.104","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152473","37.627","0.006","12.68","0.002","20.775","0.003","90","","123.038","0.002","90","","8309","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C82 H94 B2 F8 N8 O24 -","- C76 H76 B2 F8 N2 O12 -","- C304 H304 B8 F32 N8 O48 -","4","0.5","","Mercer, Darren J.; Yacoub, Joe; Zhu, Kelong; Loeb, Stephanie K.; Loeb, Stephen J.","[2]Pseudorotaxanes, [2]rotaxanes and metal-organic rotaxane frameworks containing tetra-substituted dibenzo[24]crown-8 wheels.","Organic & biomolecular chemistry","2012","10","30","6094","6104","10.1039/c2ob25200g","","","0.71073","MoKα","","0.1669","0.1216","","","0.3558","0.3818","","","","","","1.259","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152474","12.554","0.004","13.774","0.005","15.329","0.005","80.404","0.005","68.495","0.004","89.969","0.005","2426.3","1.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H57 Cl3 O12 -","- C52 H56 O12 -","- C104 H112 O24 -","2","1","","Mercer, Darren J.; Yacoub, Joe; Zhu, Kelong; Loeb, Stephanie K.; Loeb, Stephen J.","[2]Pseudorotaxanes, [2]rotaxanes and metal-organic rotaxane frameworks containing tetra-substituted dibenzo[24]crown-8 wheels.","Organic & biomolecular chemistry","2012","10","30","6094","6104","10.1039/c2ob25200g","","","0.71073","MoKα","","0.2106","0.1434","","","0.356","0.3936","","","","","","1.165","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152475","27.729","0.003","16.8628","0.0019","23.505","0.003","90","","106.757","0.001","90","","10524","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C104 H116 F12 N4 O26 S4 -","- C104 H114 F12 N4 O26 S4 -","- C416 H456 F48 N16 O104 S16 -","4","0.5","","Mercer, Darren J.; Yacoub, Joe; Zhu, Kelong; Loeb, Stephanie K.; Loeb, Stephen J.","[2]Pseudorotaxanes, [2]rotaxanes and metal-organic rotaxane frameworks containing tetra-substituted dibenzo[24]crown-8 wheels.","Organic & biomolecular chemistry","2012","10","30","6094","6104","10.1039/c2ob25200g","","","0.71073","MoKα","","0.1499","0.109","","","0.291","0.3206","","","","","","1.086","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152476","6.8058","0.0003","8.713","0.0004","13.1696","0.0005","90","","91.746","0.003","90","","780.58","0.06","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H22 O3 S -","- C15 H22 O3 S -","- C30 H44 O6 S2 -","2","1","","Ou, Jun; Wong, Wing-Tak; Chiu, Pauline","Desymmetrizing reductive aldol cyclizations of enethioate derivatives of 1,3-diones catalyzed by a chiral copper hydride.","Organic & biomolecular chemistry","2012","10","30","5971","5978","10.1039/c2ob25206f","","","0.71073","MoKα","","0.0816","0.0621","","","0.1676","0.1852","","","","","","1.102","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152477","8.6495","0.0006","8.6869","0.0006","13.4401","0.0009","72.062","0.004","89.472","0.004","85.803","0.005","958.09","0.12","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H22 O3 S -","- C22 H22 O3 S -","- C44 H44 O6 S2 -","2","2","","Ou, Jun; Wong, Wing-Tak; Chiu, Pauline","Desymmetrizing reductive aldol cyclizations of enethioate derivatives of 1,3-diones catalyzed by a chiral copper hydride.","Organic & biomolecular chemistry","2012","10","30","5971","5978","10.1039/c2ob25206f","","","0.71073","MoKα","","0.0852","0.0709","","","0.2023","0.2362","","","","","","1.107","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152478","9.3018","0.0003","16.8469","0.0005","25.9616","0.0008","90","","90","","90","","4068.4","0.2","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C88 H81 Br2 Cu2 Fe2 N3 P4 -","- C88 H81 Br2 Cu2 Fe2 N3 P4 -","- C176 H162 Br4 Cu4 Fe4 N6 P8 -","2","0.5","","Ou, Jun; Wong, Wing-Tak; Chiu, Pauline","Desymmetrizing reductive aldol cyclizations of enethioate derivatives of 1,3-diones catalyzed by a chiral copper hydride.","Organic & biomolecular chemistry","2012","10","30","5971","5978","10.1039/c2ob25206f","","","0.71073","MoKα","","0.0811","0.0566","","","0.1375","0.1487","","","","","","1.072","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152479","36.714","0.004","36.714","0.004","15.1151","0.0015","90","","90","","120","","17644","3","193","2","193","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- C46 H32 O2 -","- C46 H32 O2 -","- C828 H576 O36 -","18","1","","Fort, Eric H.; Scott, Lawrence T.","Facile air-oxidation of large aromatic hydrocarbon bay regions to bay region quinones: predicted oxygen-sensitivity of hydrogen-terminated carbon nanotubes.","Organic & biomolecular chemistry","2012","10","30","5747","5749","10.1039/c2ob25208b","","","0.71073","MoKα","","0.0874","0.0628","","","0.1718","0.1886","","","","","","1.069","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152480","17.8976","0.0004","11.2875","0.0003","18.4543","0.0005","90","","95.4952","0.0012","90","","3710.99","0.16","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tert-butyl 3-(3-(3-(but-3-en-1-yl)-3-(3-(2-(tert-butoxy)-2-oxoethoxy) -5-isopropoxybenzoyl)ureido)-4-isopropoxyphenyl)propanoate","","- C37 H52 N2 O9 -","- C37 H52 N2 O9 -","- C148 H208 N8 O36 -","4","1","","Thompson, Sam; Hamilton, Andrew D.","Amphiphilic α-helix mimetics based on a benzoylurea scaffold.","Organic & biomolecular chemistry","2012","10","30","5780","5782","10.1039/c2ob25273b","","","0.71073","MoKα","","0.1212","0.0612","","0.0788","0.0524","0.0478","","","","","","1.1257","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152481","8.8237","0.0007","12.5753","0.0009","24.9768","0.0016","83.919","0.006","83.43","0.006","69.943","0.007","2579.6","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 N7 O4 -","- C26 H25 N7 O4 -","- C104 H100 N28 O16 -","4","2","","Shafran, Yuri; Rozin, Yuri; Beryozkina, Tetyana; Zhidovinov, Sergei; Eltsov, Oleg; Subbotina, Julia; Leban, Johann; Novikova, Rashida; Bakulev, Vasiliy","Self condensation of enamines mediated by acetylation. A novel approach to 1-(azol-5-yl)-(1E,3Z)-butadiene-4-N,N-dimethylamines.","Organic & biomolecular chemistry","2012","10","30","5795","5798","10.1039/c2ob25331c","","","0.71073","MoKα","","0.1135","0.0408","","","0.0751","0.0814","","","","","","1","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152482","4.9211","0.0003","12.5759","0.0008","23.0138","0.0015","90","","90","","90","","1424.26","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N3 O2 -","- C18 H15 N3 O2 -","- C72 H60 N12 O8 -","4","1","","Cao, Liming; Maciejewski, John P.; Elzner, Stephan; Amantini, David; Wipf, Peter","Synthesis of 1,2,4-triazines and the triazinoisoquinolinedione DEF ring system of noelaquinone.","Organic & biomolecular chemistry","2012","10","30","5811","5814","10.1039/c2ob25353d","","","1.54178","CuKα","","0.0815","0.0784","","","0.1707","0.1722","","","","","","1.784","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152483","17.193","0.004","4.8775","0.0012","17.519","0.004","90","","102.213","0.014","90","","1435.9","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N3 O2 -","- C18 H16 N3 O2 -","- C72 H64 N12 O8 -","4","1","","Cao, Liming; Maciejewski, John P.; Elzner, Stephan; Amantini, David; Wipf, Peter","Synthesis of 1,2,4-triazines and the triazinoisoquinolinedione DEF ring system of noelaquinone.","Organic & biomolecular chemistry","2012","10","30","5811","5814","10.1039/c2ob25353d","","","1.54178","CuKα","","0.1448","0.0553","","","0.1221","0.1628","","","","","","0.929","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152484","4.9819","0.0005","6.5576","0.0006","28.039","0.003","90","","90","","90","","916.01","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H9 N3 O2 -","- C11 H9 N3 O2 -","- C44 H36 N12 O8 -","4","1","","Cao, Liming; Maciejewski, John P.; Elzner, Stephan; Amantini, David; Wipf, Peter","Synthesis of 1,2,4-triazines and the triazinoisoquinolinedione DEF ring system of noelaquinone.","Organic & biomolecular chemistry","2012","10","30","5811","5814","10.1039/c2ob25353d","","","1.54178","CuKα","","0.0462","0.0366","","","0.0897","0.0933","","","","","","1.058","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152485","11.1962","0.001","13.6978","0.0016","20.614","0.002","87.116","0.007","76.553","0.007","68.06","0.007","2849.7","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H29 N5 O10 -","- C28 H29 N5 O10 -","- C112 H116 N20 O40 -","4","2","","Escribano-Cuesta, Ana; Pérez-Galán, Patricia; Herrero-Gómez, Elena; Sekine, Masaki; Braga, Ataualpa A. C.; Maseras, Feliu; Echavarren, Antonio M.","The role of cyclobutenes in gold(i)-catalysed skeletal rearrangement of 1,6-enynes.","Organic & biomolecular chemistry","2012","10","30","6105","6111","10.1039/c2ob25419k","","","1.54178","CuKα","","0.1353","0.1066","","","0.2549","0.2805","","","","","","0.999","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152486","8.549","0.004","8.811","0.004","14.226","0.006","88.044","0.016","87.18","0.019","85.651","0.018","1066.7","0.8","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H27 N O8 -","- C22 H27 N O8 -","- C44 H54 N2 O16 -","2","1","","Hashimoto, Yoshimitsu; Takada, Akiomi; Takikawa, Hiroshi; Suzuki, Keisuke","Synthesis of isoxazoles en route to semi-aromatized polyketides: dehydrogenation of benzonitrile oxide-para-quinone acetal cycloadducts.","Organic & biomolecular chemistry","2012","10","30","6003","6009","10.1039/c2ob25423a","","","0.71075","MoKα","","0.066","0.0611","","","0.2191","0.2317","","","","","","1.99","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152487","8.5986","0.0008","9.3898","0.001","26.681","0.003","90","","90.782","0.003","90","","2154","0.4","169","2","169","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 N O8 -","- C22 H27 N O8 -","- C88 H108 N4 O32 -","4","1","","Hashimoto, Yoshimitsu; Takada, Akiomi; Takikawa, Hiroshi; Suzuki, Keisuke","Synthesis of isoxazoles en route to semi-aromatized polyketides: dehydrogenation of benzonitrile oxide-para-quinone acetal cycloadducts.","Organic & biomolecular chemistry","2012","10","30","6003","6009","10.1039/c2ob25423a","","","0.71075","MoKα","","0.0719","0.0564","","","0.1369","0.1436","","","","","","1.082","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152488","6.8683","0.0012","9.2342","0.0015","10.5078","0.0019","111.922","0.004","90.897","0.004","96.504","0.004","613.06","0.18","168","2","168","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C26 H30 N2 O8 -","2","1","","Hashimoto, Yoshimitsu; Takada, Akiomi; Takikawa, Hiroshi; Suzuki, Keisuke","Synthesis of isoxazoles en route to semi-aromatized polyketides: dehydrogenation of benzonitrile oxide-para-quinone acetal cycloadducts.","Organic & biomolecular chemistry","2012","10","30","6003","6009","10.1039/c2ob25423a","","","0.71075","MoKα","","0.0528","0.0436","","","0.1227","0.1339","","","","","","1.114","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152489","10.301","0.005","8.437","0.004","23.76","0.011","90","","100.05","0.04","90","","2033.3","1.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N O8 -","- C21 H23 N O8 -","- C84 H92 N4 O32 -","4","1","","Hashimoto, Yoshimitsu; Takada, Akiomi; Takikawa, Hiroshi; Suzuki, Keisuke","Synthesis of isoxazoles en route to semi-aromatized polyketides: dehydrogenation of benzonitrile oxide-para-quinone acetal cycloadducts.","Organic & biomolecular chemistry","2012","10","30","6003","6009","10.1039/c2ob25423a","","","0.71075","MoKα","","0.0595","0.049","","","0.1535","0.1622","","","","","","1.262","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152490","7.3141","0.0014","11.871","0.003","12.579","0.002","72.852","0.01","83.715","0.008","89.902","0.011","1036.8","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N O9 -","- C22 H25 N O9 -","- C44 H50 N2 O18 -","2","1","","Hashimoto, Yoshimitsu; Takada, Akiomi; Takikawa, Hiroshi; Suzuki, Keisuke","Synthesis of isoxazoles en route to semi-aromatized polyketides: dehydrogenation of benzonitrile oxide-para-quinone acetal cycloadducts.","Organic & biomolecular chemistry","2012","10","30","6003","6009","10.1039/c2ob25423a","","x-ray","0.71075","MoKα","","0.0536","0.0445","","","0.1155","0.1277","","","","","","1.068","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152491","14.467","0.006","9.266","0.003","15.337","0.004","90","","96.767","0.016","90","","2041.6","1.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N O8 -","- C21 H23 N O8 -","- C84 H92 N4 O32 -","4","1","","Hashimoto, Yoshimitsu; Takada, Akiomi; Takikawa, Hiroshi; Suzuki, Keisuke","Synthesis of isoxazoles en route to semi-aromatized polyketides: dehydrogenation of benzonitrile oxide-para-quinone acetal cycloadducts.","Organic & biomolecular chemistry","2012","10","30","6003","6009","10.1039/c2ob25423a","","","0.71075","MoKα","","0.0638","0.0577","","","0.2092","0.2153","","","","","","1.795","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152492","8.4243","0.0018","8.6769","0.0016","9.173","0.0017","108.968","0.005","103.816","0.006","94.519","0.006","606.8","0.2","169","2","169","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N O5 -","- C13 H15 N O5 -","- C26 H30 N2 O10 -","2","1","","Hashimoto, Yoshimitsu; Takada, Akiomi; Takikawa, Hiroshi; Suzuki, Keisuke","Synthesis of isoxazoles en route to semi-aromatized polyketides: dehydrogenation of benzonitrile oxide-para-quinone acetal cycloadducts.","Organic & biomolecular chemistry","2012","10","30","6003","6009","10.1039/c2ob25423a","","","0.71075","MoKα","","0.0467","0.0406","","","0.1068","0.11","","","","","","1.057","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152493","13.062","0.0011","12.0982","0.0008","16.2166","0.0013","90","","90","","90","","2562.7","0.3","169","2","169","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 N O5 -","- C13 H15 N O5 -","- C104 H120 N8 O40 -","8","1","","Hashimoto, Yoshimitsu; Takada, Akiomi; Takikawa, Hiroshi; Suzuki, Keisuke","Synthesis of isoxazoles en route to semi-aromatized polyketides: dehydrogenation of benzonitrile oxide-para-quinone acetal cycloadducts.","Organic & biomolecular chemistry","2012","10","30","6003","6009","10.1039/c2ob25423a","","","0.71075","MoKα","","0.0562","0.044","","","0.1169","0.1234","","","","","","1.059","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152494","7.573","0.006","8.394","0.005","18.258","0.012","87.48","0.02","83.12","0.03","69.44","0.03","1078.9","1.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N O8 -","- C22 H25 N O8 -","- C44 H50 N2 O16 -","2","1","","Hashimoto, Yoshimitsu; Takada, Akiomi; Takikawa, Hiroshi; Suzuki, Keisuke","Synthesis of isoxazoles en route to semi-aromatized polyketides: dehydrogenation of benzonitrile oxide-para-quinone acetal cycloadducts.","Organic & biomolecular chemistry","2012","10","30","6003","6009","10.1039/c2ob25423a","","","0.71075","MoKα","","0.1636","0.1503","","","0.444","0.4465","","","","","","2.821","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152495","7.633","0.002","8.046","0.002","14.859","0.005","77.08","0.02","88.83","0.02","62.32","0.02","784","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C36 H40 O8 -","2","1","","Rueping, Magnus; Merino, Estíbaliz; Bolte, Michael","Efficient proline and prolinol ether mediated 3-component synthesis of 3- and 3,4-substituted chromenone derivatives.","Organic & biomolecular chemistry","2012","10","30","6201","6210","10.1039/c2ob25443c","","","0.71073","MoKα","","0.2177","0.1039","","","0.2413","0.3108","","","","","","0.96","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152496","10.7772","0.0008","6.5073","0.0005","25.4062","0.0019","90","","90.353","0.006","90","","1781.7","0.2","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H21 Br O4 -","- C19 H21 Br O4 -","- C76 H84 Br4 O16 -","4","1","","Rueping, Magnus; Merino, Estíbaliz; Bolte, Michael","Efficient proline and prolinol ether mediated 3-component synthesis of 3- and 3,4-substituted chromenone derivatives.","Organic & biomolecular chemistry","2012","10","30","6201","6210","10.1039/c2ob25443c","","","0.71073","MoKα","","0.0572","0.0528","","","0.1355","0.1394","","","","","","1.005","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152497","8.8972","0.0002","12.2375","0.0003","12.7413","0.0003","90","","90","","90","","1387.27","0.06","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Gregg, Claire; Perkins, Michael V.","Total synthesis and structural elucidation of ent-micropyrone and (+)-ascosalipyrone.","Organic & biomolecular chemistry","2012","10","32","6547","6553","10.1039/c2ob25501d","","","0.7107","MoKα","","0.064","0.0451","","","0.1149","0.1196","","","","","","0.964","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152498","8.1642","0.0003","12.0184","0.0005","14.2772","0.0005","90","","90","","90","","1400.89","0.09","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Gregg, Claire; Perkins, Michael V.","Total synthesis and structural elucidation of ent-micropyrone and (+)-ascosalipyrone.","Organic & biomolecular chemistry","2012","10","32","6547","6553","10.1039/c2ob25501d","","","0.7107","MoKα","","0.0487","0.0374","","","0.0907","0.0935","","","","","","0.973","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152499","30.181","0.003","9.9266","0.0008","14.6281","0.0012","90","","118.99","","90","","3833.4","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H32 B2 N2 -","- C20 H32 B2 N2 -","- C160 H256 B16 N16 -","8","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0432","0.038","","","0.101","0.1051","","","","","","1.053","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7152500","8.6278","0.0007","11.1348","0.0008","13.2544","0.001","71.123","0.001","89.295","0.001","87.433","0.001","1203.64","0.16","247","2","247","2","","","","","","","","4","P -1","-P 1","2","BBN-picoline-dimer","","","- C28 H40 B2 N2 -","- C28 H40 B2 N2 -","- C56 H80 B4 N4 -","2","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.1029","0.0511","","","0.1161","0.1372","","","","","","1.028","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152501","20.0937","0.0016","9.9331","0.0008","15.1773","0.0012","90","","112.871","0.001","90","","2791.1","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","diphenylboronpicoline-dimer","","","- C36 H32 B2 N2 -","- C36 H32 B2 N2 -","- C144 H128 B8 N8 -","4","0.5","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0501","0.0363","","","0.0827","0.0907","","","","","","1.033","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152502","19.7442","0.0008","8.9337","0.0004","16.7141","0.0007","90","","103.467","0.001","90","","2867.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","borafluorenylpicoline-CH3CN-solvate","","","- C38 H26 B2 N3 -","- C38 H26 B2 N3 -","- C152 H104 B8 N12 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0656","0.0531","","","0.1483","0.1596","","","","","","1.044","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152503","10.166","0.004","13.303","0.006","15.011","0.006","90","","90","","90","","2030.1","1.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","diethylboronpicoline-LiOMe-TMEDA","","","- C17 H35 B Li N3 O -","- C17 H35 B Li N3 O -","- C68 H140 B4 Li4 N12 O4 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0446","0.041","","","0.1014","0.1044","","","","","","1.105","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152504","9.537","0.002","19.523","0.005","11.571","0.003","90","","91.102","0.003","90","","2154","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","BBN-picoline-LiOMe-TMEDA","","","- C21 H39 B Li N3 O -","- C21 H39 B Li N3 O -","- C84 H156 B4 Li4 N12 O4 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0974","0.0915","","","0.2621","0.2649","","","","","","1.292","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152505","9.1997","0.0005","10.062","0.0005","13.7746","0.0007","75.513","0.001","85.615","0.001","66.257","0.001","1129.62","0.1","101","2","101","2","","","","","","","","6","P -1","-P 1","2","BBNpicoline-LiOMe-2THF","","","- C23 H39 B Li N O3 -","- C23 H39 B Li N O3 -","- C46 H78 B2 Li2 N2 O6 -","2","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0708","0.0585","","","0.1394","0.1486","","","","","","1.051","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152506","7.4473","0.0004","9.7852","0.0006","20.4386","0.0012","90","","90","","90","","1489.43","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","diethylboronpicoline-benzaldehyde","","","- C17 H21 B N2 -","- C17 H21 B N2 -","- C68 H84 B4 N8 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0324","0.0288","","","0.0676","0.0696","","","","","","1.052","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152507","10.285","0.002","24.538","0.005","10.285","0.002","90","","93.67","","90","","2590.3","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","diethylboronpicoline-13dicyanobenzene","","","- C28 H36 B2 N4 -","- C28 H36 B2 N4 -","- C112 H144 B8 N16 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0692","0.0409","","","0.0993","0.1104","","","","","","0.94","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152508","6.7145","0.0004","15.9589","0.0009","23.1949","0.0013","90","","90","","90","","2485.5","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","diethylboronpicoline-14dicyanobenzene","","","- C28 H36 B2 N4 -","- C28 H36 B2 N4 -","- C112 H144 B8 N16 -","4","0.5","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0568","0.0399","","","0.0892","0.0986","","","","","","1.015","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152509","8.6575","0.0005","14.9677","0.0009","14.9962","0.0009","90","","90","","90","","1943.3","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","diethylboronpicoline-benzophenone","","","- C23 H26 B N O -","- C23 H26 B N O -","- C92 H104 B4 N4 O4 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0289","0.0275","","","0.068","0.0691","","","","","","1.06","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152510","8.2474","0.0006","18.4202","0.0013","11.0654","0.0008","90","","97.891","0.001","90","","1665.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","diethylboronpicoline-2chloroacetophenone","","","- C18 H23 B Cl N O -","- C18 H23 B Cl N O -","- C72 H92 B4 Cl4 N4 O4 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0417","0.0341","","","0.0838","0.0879","","","","","","1.054","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152511","13.0246","0.0011","7.6223","0.0007","16.3135","0.0014","90","","91.507","0.001","90","","1619","0.2","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","diethylboronpicoline-4Chlorobenzaldehyde","","","- C17 H21 B Cl N O -","- C17 H21 B Cl N O -","- C68 H84 B4 Cl4 N4 O4 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0354","0.0333","","","0.086","0.0874","","","","","","0.984","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152512","9.2247","0.001","16.045","0.0018","10.9529","0.0012","90","","93.999","0.001","90","","1617.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","diethylboronpicoline-4nitrobenzaldehyde","","","- C17 H21 B N2 O3 -","- C17 H21 B N2 O3 -","- C68 H84 B4 N8 O12 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0639","0.0568","","","0.1399","0.1454","","","","","","0.902","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152513","8.3937","0.0006","10.2137","0.0007","11.238","0.0012","108.665","0.001","102.699","0.001","100.782","0.001","855.21","0.12","109","2","109","2","","","","","","","","6","P -1","-P 1","2","diethylboronpicoline-4trifluorotolualdehyde","","","- C18 H21 B F3 N O -","- C18 H21 B F3 N O -","- C36 H42 B2 F6 N2 O2 -","2","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0402","0.0351","","","0.0891","0.0928","","","","","","1.051","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152514","8.2346","0.001","8.449","0.001","20.337","0.002","90","","99.733","0.002","90","","1394.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","diethylboronpicoline-crotonaldehyde","","","- C14 H22 B N O -","- C14 H22 B N O -","- C56 H88 B4 N4 O4 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.071","0.0436","","","0.0842","0.0947","","","","","","1.069","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152515","8.4677","0.0004","11.4989","0.0005","14.424","0.0007","90","","101.503","0.001","90","","1376.24","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","BBNpicoline-n,n-dimethylacetamide","","","- C16 H22 B N O -","- C16 H22 B N O -","- C64 H88 B4 N4 O4 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0395","0.0353","","","0.0842","0.0879","","","","","","0.972","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152516","10.5949","0.0007","7.6737","0.0005","24.2686","0.0016","90","","100.587","0.001","90","","1939.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","diphenylboronpicoline-acetonitrile","","","- C21 H21 B Cl2 N2 -","- C21 H21 B Cl2 N2 -","- C84 H84 B4 Cl8 N8 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0532","0.0346","","","0.0806","0.0894","","","","","","1.074","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152517","17.8677","0.0008","20.0262","0.0009","10.9651","0.0005","90","","102.768","0.001","90","","3826.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","diphenylboronpicoline-benzonitrile","","","- C25 H21 B N2 -","- C25 H21 B N2 -","- C200 H168 B8 N16 -","8","2","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0462","0.0346","","","0.0833","0.0917","","","","","","1.02","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152518","8.4273","0.0008","10.2028","0.0009","12.7409","0.0012","95.769","0.001","105.923","0.001","104.904","0.001","1000.62","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","diphenylboronpicoline-4chlorobenzaldehyde","","","- C25 H21 B Cl N O -","- C25 H21 B Cl N O -","- C50 H42 B2 Cl2 N2 O2 -","2","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0558","0.0434","","","0.1015","0.1085","","","","","","1.05","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152519","8.4944","0.0004","9.8689","0.0005","10.9392","0.0006","63.499","0.001","87.637","0.001","81.64","0.001","811.67","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","diphenylboronpicoline-n,n-dimethylacetamide","","","- C20 H18 B N O -","- C20 H18 B N O -","- C40 H36 B2 N2 O2 -","2","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0399","0.0337","","","0.0854","0.0901","","","","","","1.05","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152520","38.885","0.002","7.5009","0.0004","24.1696","0.0013","90","","123.084","0.002","90","","5906.7","0.6","100","2","","","","","","","","","Dipeptide synthesized according to Mutters procedure followed by acylation with the Fmoc alanine fluoride.","4","C 1 2 1","C 2y","5","","Fmoc-Ala-(R)-MeSer(psipro)-Ala-OtBu","","- C60 H74 N6 O14 -","- C60 H74 N6 O14 -","- C240 H296 N24 O56 -","4","1","","Katarzyńska, Joanna; Mazur, Adam; Wolf, Wojciech M.; Teat, Simon J.; Jankowski, Stefan; Leplawy, Mirosław T; Zabrocki, Janusz","4-Methylpseudoproline derived from α-methylserine - synthesis and conformational studies.","Organic & biomolecular chemistry","2012","10","33","6705","6716","10.1039/c2ob25732g","","","","","","0.0647","0.0608","","","0.1712","0.1763","","","","","","","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152521","14.9433","0.0004","16.7585","0.0004","17.4804","0.0004","109.705","0.001","98.331","0.001","112.991","0.001","3595.46","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H86 Cl6 O9 Se6 -","- C65 H86 Cl6 O9 Se6 -","- C130 H172 Cl12 O18 Se12 -","2","1","","Thomas, Joice; Dobrzańska, Liliana; Van Hecke, Kristof; Sonawane, Mahendra P.; Robeyns, Koen; Van Meervelt, Luc; Woźniak, Krzysztof; Smet, Mario; Maes, Wouter; Dehaen, Wim","Homoselenacalix[4]arenes: synthetic exploration and metallosupramolecular chemistry.","Organic & biomolecular chemistry","2012","10","32","6526","6536","10.1039/c2ob25760b","","","1.54178","CuKα","","0.0701","0.0497","","","0.1095","0.1188","","","","","","1.033","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152522","28.31","0.004","28.31","0.004","14.618","0.003","90","","90","","90","","11716","3","100","2","100","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C60 H88 O6 Se4 -","- C60 H88 O6 Se4 -","- C480 H704 O48 Se32 -","8","0.5","","Thomas, Joice; Dobrzańska, Liliana; Van Hecke, Kristof; Sonawane, Mahendra P.; Robeyns, Koen; Van Meervelt, Luc; Woźniak, Krzysztof; Smet, Mario; Maes, Wouter; Dehaen, Wim","Homoselenacalix[4]arenes: synthetic exploration and metallosupramolecular chemistry.","Organic & biomolecular chemistry","2012","10","32","6526","6536","10.1039/c2ob25760b","","","0.71073","MoKα","","0.0539","0.0364","","","0.0844","0.0928","","","","","","1.079","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152523","13.801","0.007","27.671","0.012","31.568","0.016","90","","93.689","0.014","90","","12030","10","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H72 Ag F3 O7 S Se4 -","- C53 H72 Ag F3 O7 S Se4 -","- C424 H576 Ag8 F24 O56 S8 Se32 -","8","2","","Thomas, Joice; Dobrzańska, Liliana; Van Hecke, Kristof; Sonawane, Mahendra P.; Robeyns, Koen; Van Meervelt, Luc; Woźniak, Krzysztof; Smet, Mario; Maes, Wouter; Dehaen, Wim","Homoselenacalix[4]arenes: synthetic exploration and metallosupramolecular chemistry.","Organic & biomolecular chemistry","2012","10","32","6526","6536","10.1039/c2ob25760b","","","1.54178","CuKα","","0.094","0.0837","","","0.1718","0.1779","","","","","","1.071","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152524","13.994","0.002","13.994","0.002","14.223","0.003","90","","90","","90","","2785.3","0.8","100","2","100","2","","","","","","","","7","P -4 n 2","P -4 -2n","118","","","","- C52 H72 Ag F6 O4 P Se4 -","- C52 H72 Ag F6 O4 P Se4 -","- C104 H144 Ag2 F12 O8 P2 Se8 -","2","0.25","","Thomas, Joice; Dobrzańska, Liliana; Van Hecke, Kristof; Sonawane, Mahendra P.; Robeyns, Koen; Van Meervelt, Luc; Woźniak, Krzysztof; Smet, Mario; Maes, Wouter; Dehaen, Wim","Homoselenacalix[4]arenes: synthetic exploration and metallosupramolecular chemistry.","Organic & biomolecular chemistry","2012","10","32","6526","6536","10.1039/c2ob25760b","","","0.71073","MoKα","","0.1032","0.0512","","","0.0887","0.0937","","","","","","0.988","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152525","10.8677","0.0013","12.6155","0.001","26.392","0.005","90","","95.784","0.008","90","","3600","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H90 Cl6 O8 Se4 -","- C64 H90 Cl6 O8 Se4 -","- C128 H180 Cl12 O16 Se8 -","2","0.5","","Thomas, Joice; Dobrzańska, Liliana; Van Hecke, Kristof; Sonawane, Mahendra P.; Robeyns, Koen; Van Meervelt, Luc; Woźniak, Krzysztof; Smet, Mario; Maes, Wouter; Dehaen, Wim","Homoselenacalix[4]arenes: synthetic exploration and metallosupramolecular chemistry.","Organic & biomolecular chemistry","2012","10","32","6526","6536","10.1039/c2ob25760b","","","1.54178","CuKα","","0.0548","0.0456","","","0.1082","0.1137","","","","","","1.055","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152526","12.8286","0.0007","12.1802","0.0007","11.4263","0.0006","90","","111.313","0.001","90","","1663.31","0.16","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(1R*,4aS*,10aS*)-1-(3,4-dimethoxyphenyl)-1,3,4,4a,10,10a-hexahydropyrano [4,3-b]chromene","","- C20 H22 O4 -","- C20 H22 O4 -","- C80 H88 O16 -","4","1","","Subba Reddy, B. V.; Jalal, Sayed; Borkar, Prashant; Yadav, J. S.; Reddy, P. P.; Kunwar, A. C.; Sridhar, B.","The stereoselective synthesis of cis-/trans-fused hexahydropyrano[4,3-b]chromenes via Prins cyclization trapping by a tethered nucleophile.","Organic & biomolecular chemistry","2012","10","32","6562","6568","10.1039/c2ob25771h","","","0.71073","MoKα","","0.0358","0.0327","","","0.09","0.0938","","","","","","1.047","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152527","11.086","0.002","12.727","0.003","13.649","0.003","73.23","0.03","84.08","0.03","83.37","0.03","1826.6","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N3 O2 -","- C21 H21 N3 O2 -","- C84 H84 N12 O8 -","4","2","","Zhao, Fei; Wang, Yang; Zhang, Wen-Xiong; Xi, Zhenfeng","Metal-free synthesis of cyclic di-oxoguanidines via one-pot sequential transformation of amines, carbodiimides and acyl dichlorides.","Organic & biomolecular chemistry","2012","10","31","6266","6270","10.1039/c2ob25799h","","","0.71073","MoKα","","0.0755","0.0655","","","0.13","0.1364","","","","","","1.143","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152528","8.8707","0.0018","10.082","0.002","18.499","0.004","90","","90","","90","","1654.4","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 Br N3 O2 -","- C15 H18 Br N3 O2 -","- C60 H72 Br4 N12 O8 -","4","1","","Zhao, Fei; Wang, Yang; Zhang, Wen-Xiong; Xi, Zhenfeng","Metal-free synthesis of cyclic di-oxoguanidines via one-pot sequential transformation of amines, carbodiimides and acyl dichlorides.","Organic & biomolecular chemistry","2012","10","31","6266","6270","10.1039/c2ob25799h","","","0.71073","MoKα","","0.1173","0.0398","","","0.0521","0.061","","","","","","0.735","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152529","11.082","0.002","8.7","0.0017","16.612","0.003","90","","100.67","0.03","90","","1573.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N3 O2 -","- C17 H19 N3 O2 -","- C68 H76 N12 O8 -","4","1","","Zhao, Fei; Wang, Yang; Zhang, Wen-Xiong; Xi, Zhenfeng","Metal-free synthesis of cyclic di-oxoguanidines via one-pot sequential transformation of amines, carbodiimides and acyl dichlorides.","Organic & biomolecular chemistry","2012","10","31","6266","6270","10.1039/c2ob25799h","","","0.71073","MoKα","","0.137","0.0598","","","0.1324","0.1391","","","","","","1.008","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152530","9.869","0.002","14.785","0.003","16.173","0.003","90","","95.51","0.03","90","","2348.9","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4,8-bis(4-phenoxyphenyl)-1,5-naphthyridine","","","- C32 H22 N2 O2 -","- C32 H22 N2 O2 -","- C128 H88 N8 O8 -","4","1","","Wang, Kun-Yan; Chen, Chen; Liu, Jin-Fang; Wang, Qin; Chang, Jin; Zhu, Hong-Jun; Li, Chong","Novel multifunctional organic semiconductor materials based on 4,8-substituted 1,5-naphthyridine: synthesis, single crystal structures, opto-electrical properties and quantum chemistry calculation.","Organic & biomolecular chemistry","2012","10","33","6693","6704","10.1039/c2ob25926e","","","0.71073","MoKα","","0.1729","0.0756","","","0.1411","0.1725","","","","","","1.004","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152531","8.942","0.0018","10.249","0.002","21.626","0.004","90","","96.87","0.03","90","","1967.7","0.7","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","4,8-bis(9,9-dibutyl-9H-fluoren-2-yl)-1,5-naphthyridine","","","- C25 H27 N -","- C25 H27 N -","- C100 H108 N4 -","4","1","","Wang, Kun-Yan; Chen, Chen; Liu, Jin-Fang; Wang, Qin; Chang, Jin; Zhu, Hong-Jun; Li, Chong","Novel multifunctional organic semiconductor materials based on 4,8-substituted 1,5-naphthyridine: synthesis, single crystal structures, opto-electrical properties and quantum chemistry calculation.","Organic & biomolecular chemistry","2012","10","33","6693","6704","10.1039/c2ob25926e","","","0.71073","MoKα","","0.1535","0.0766","","","0.1626","0.1974","","","","","","1.005","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152532","11.973","0.002","7.802","0.0016","12.534","0.003","90","","102.95","0.03","90","","1141.1","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4,8-bis(4-(tert-butyl)phenyl)-1,5-naphthyridine","","","- C14 H15 N -","- C14 H15 N -","- C56 H60 N4 -","4","1","","Wang, Kun-Yan; Chen, Chen; Liu, Jin-Fang; Wang, Qin; Chang, Jin; Zhu, Hong-Jun; Li, Chong","Novel multifunctional organic semiconductor materials based on 4,8-substituted 1,5-naphthyridine: synthesis, single crystal structures, opto-electrical properties and quantum chemistry calculation.","Organic & biomolecular chemistry","2012","10","33","6693","6704","10.1039/c2ob25926e","","","0.71073","MoKα","","0.181","0.0759","","","0.1069","0.134","","","","","","1.002","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152533","8.9397","0.0006","11.7671","0.0008","17.0494","0.0012","96.72","0.003","97.088","0.003","103.4","0.003","1711.5","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O4 -","- C19 H19 N O4 -","- C76 H76 N4 O16 -","4","2","","Zhang, Ya-Ru; Xie, Jian-Wu; Huang, Xu-Jiao; Zhu, Wei-Dong","Construction of functionalized 2,3-dihydro-1,4-benzoxazines via [5 + 1] annulations of 2-halo-1,3-dicarbonyl compounds with imines.","Organic & biomolecular chemistry","2012","10","32","6554","6561","10.1039/c2ob25927c","","","0.71073","MoKα","","","0.055","","","0.1548","0.177","","","","","","1.065","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152534","9.0853","0.0007","9.0853","0.0007","23.592","0.004","90","","90","","90","","1947.3","0.4","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C20 H20 Cl N O5 -","- C20 H20 Cl N O5 -","- C80 H80 Cl4 N4 O20 -","4","1","","Zhang, Ya-Ru; Xie, Jian-Wu; Huang, Xu-Jiao; Zhu, Wei-Dong","Construction of functionalized 2,3-dihydro-1,4-benzoxazines via [5 + 1] annulations of 2-halo-1,3-dicarbonyl compounds with imines.","Organic & biomolecular chemistry","2012","10","32","6554","6561","10.1039/c2ob25927c","","","0.71073","MoKα","","","0.0592","","","0.1586","0.1862","","","","","","1.045","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152535","12.4785","0.0004","13.3392","0.0005","10.0137","0.0004","90","","103.019","0.002","90","","1623.97","0.1","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H15 N O5 -","- C18 H15 N O5 -","- C72 H60 N4 O20 -","4","1","","Zhang, Ya-Ru; Xie, Jian-Wu; Huang, Xu-Jiao; Zhu, Wei-Dong","Construction of functionalized 2,3-dihydro-1,4-benzoxazines via [5 + 1] annulations of 2-halo-1,3-dicarbonyl compounds with imines.","Organic & biomolecular chemistry","2012","10","32","6554","6561","10.1039/c2ob25927c","","","0.71073","MoKα","","","0.0386","","","0.1052","0.1113","","","","","","1.046","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152536","12.0158","0.0005","9.3261","0.0004","14.7056","0.0006","90","","98.3","0.003","90","","1630.66","0.12","295","","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Br N O S -","- C18 H16 Br N O S -","- C72 H64 Br4 N4 O4 S4 -","4","1","","Bertolasi, Valerio; Bortolini, Olga; Donvito, Adelaide; Fantin, Giancarlo; Fogagnolo, Marco; Giovannini, Pier Paolo; Massi, Alessandro; Pacifico, Salvatore","Unexpected reactivity of diaryl α-diketones with thiazolium carbenes: discovery of a novel multicomponent reaction for the facile synthesis of 1,4-thiazin-3-ones.","Organic & biomolecular chemistry","2012","10","32","6579","6586","10.1039/c2ob25928a","","","0.71073","MoKα","","0.0688","0.0438","","","0.0982","0.1098","","","","","","1.051","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152537","26.031","0.0009","5.2668","0.0002","25.435","0.0011","90","","114.261","0.002","90","","3179.2","0.2","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 N2 S -","- C20 H16 N2 S -","- C160 H128 N16 S8 -","8","1","","Wu, Hung-Chou; Yang, Chia-Wen; Hwang, Long-Chih; Wu, Ming-Jung","Au(i)-catalyzed and iodine-mediated cyclization of enynylpyrazoles to provide pyrazolo[1,5-a]pyridines.","Organic & biomolecular chemistry","2012","10","33","6640","6648","10.1039/c2ob25973g","","","0.71073","MoKα","","0.1318","0.0664","","","0.1323","0.1602","","","","","","1.054","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152538","11.123","0.005","7.632","0.004","12.7","0.005","90","","90.39","0.01","90","","1078.1","0.9","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H22 N2 O2 -","- C27 H22 N2 O2 -","- C54 H44 N4 O4 -","2","1","","Wu, Hung-Chou; Yang, Chia-Wen; Hwang, Long-Chih; Wu, Ming-Jung","Au(i)-catalyzed and iodine-mediated cyclization of enynylpyrazoles to provide pyrazolo[1,5-a]pyridines.","Organic & biomolecular chemistry","2012","10","33","6640","6648","10.1039/c2ob25973g","","","0.71073","MoKα","","0.0847","0.0534","","","0.1428","0.1896","","","","","","0.789","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152539","17.055","0.003","7.5478","0.0012","19.591","0.003","90","","100.937","0.002","90","","2476.1","0.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H26 N4 O3 -","- C29 H26 N4 O3 -","- C116 H104 N16 O12 -","4","1","","Watson, Lynsey J.; Harrington, Ross W.; Clegg, William; Hall, Michael J.","Diastereoselective intermolecular ene reactions: synthesis of 4,5,6,7-tetrahydro-1H-benzo[d]imidazoles.","Organic & biomolecular chemistry","2012","10","33","6649","6655","10.1039/c2ob26009c","","","0.6889","synchrotron","","0.0742","0.0614","","","0.1782","0.1871","","","","","","1.043","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152540","10.988","0.01","7.353","0.007","29.7","0.03","90","","95.027","0.008","90","","2390","4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 F3 N3 O5 -","- C27 H24 F3 N3 O5 -","- C108 H96 F12 N12 O20 -","4","1","","Watson, Lynsey J.; Harrington, Ross W.; Clegg, William; Hall, Michael J.","Diastereoselective intermolecular ene reactions: synthesis of 4,5,6,7-tetrahydro-1H-benzo[d]imidazoles.","Organic & biomolecular chemistry","2012","10","33","6649","6655","10.1039/c2ob26009c","","","0.6889","synchrotron","","0.2693","0.2297","","","0.6078","0.6335","","","","","","2.681","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152541","10.8328","0.0006","12.7806","0.0008","13.3203","0.0006","72.909","0.005","79.316","0.004","71.622","0.006","1664.08","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H40 F3 N3 O6 Si -","- C34 H40 F3 N3 O6 Si -","- C68 H80 F6 N6 O12 Si2 -","2","1","","Watson, Lynsey J.; Harrington, Ross W.; Clegg, William; Hall, Michael J.","Diastereoselective intermolecular ene reactions: synthesis of 4,5,6,7-tetrahydro-1H-benzo[d]imidazoles.","Organic & biomolecular chemistry","2012","10","33","6649","6655","10.1039/c2ob26009c","","","0.71073","MoKα","","0.0544","0.041","","","0.0919","0.1012","","","","","","1.031","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152542","8.0807","0.0003","11.5619","0.0005","12.786","0.0005","79.423","0.003","86.322","0.003","82.872","0.003","1164.15","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 N3 O5 -","- C26 H25 N3 O5 -","- C52 H50 N6 O10 -","2","1","","Watson, Lynsey J.; Harrington, Ross W.; Clegg, William; Hall, Michael J.","Diastereoselective intermolecular ene reactions: synthesis of 4,5,6,7-tetrahydro-1H-benzo[d]imidazoles.","Organic & biomolecular chemistry","2012","10","33","6649","6655","10.1039/c2ob26009c","","","0.71073","MoKα","","0.0429","0.0348","","","0.0996","0.102","","","","","","1.122","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152543","13.9615","0.0006","6.7669","0.0002","19.4128","0.0008","90","","100.967","0.004","90","","1800.55","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N3 O2 -","- C22 H19 N3 O2 -","- C88 H76 N12 O8 -","4","1","","Watson, Lynsey J.; Harrington, Ross W.; Clegg, William; Hall, Michael J.","Diastereoselective intermolecular ene reactions: synthesis of 4,5,6,7-tetrahydro-1H-benzo[d]imidazoles.","Organic & biomolecular chemistry","2012","10","33","6649","6655","10.1039/c2ob26009c","","","0.71073","MoKα","","0.05","0.0402","","","0.0952","0.102","","","","","","1.026","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152544","8.0564","0.0005","14.5528","0.0008","15.2944","0.0008","61.687","0.002","87.605","0.002","88.859","0.002","1577.27","0.16","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Benzamide","","","- C66 H78 N6 O19 -","- C66 H78 N6 O19 -","- C66 H78 N6 O19 -","1","0.5","","Azzarito, Valeria; Prabhakaran, Panchami; Bartlett, Alice I.; Murphy, Natasha S.; Hardie, Michaele J.; Kilner, Colin A.; Edwards, Thomas A.; Warriner, Stuart L.; Wilson, Andrew J.","2-O-Alkylated para-benzamide α-helix mimetics: the role of scaffold curvature.","Organic & biomolecular chemistry","2012","10","32","6469","6472","10.1039/c2ob26262b","","","0.71073","MoKα","","0.1102","0.0518","","","0.1092","0.1316","","","","","","0.977","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152545","9.0441","0.0007","13.9383","0.001","17.5956","0.0012","90","","99.421","0.004","90","","2188.2","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzamide","","","- C21 H26 N2 O5 -","- C21 H26 N2 O5 -","- C84 H104 N8 O20 -","4","1","","Azzarito, Valeria; Prabhakaran, Panchami; Bartlett, Alice I.; Murphy, Natasha S.; Hardie, Michaele J.; Kilner, Colin A.; Edwards, Thomas A.; Warriner, Stuart L.; Wilson, Andrew J.","2-O-Alkylated para-benzamide α-helix mimetics: the role of scaffold curvature.","Organic & biomolecular chemistry","2012","10","32","6469","6472","10.1039/c2ob26262b","","","0.71073","MoKα","","0.1298","0.0743","","","0.2001","0.2362","","","","","","1.024","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152546","7.938","0.003","23.823","0.004","9.277","0.003","90","","104.96","0.03","90","","1694.9","0.9","294","2","294","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H25 N O2 -","- C18 H25 N O2 -","- C72 H100 N4 O8 -","4","1","","Amat, Mercedes; Semak, Vladislav; Escolano, Carmen; Molins, Elies; Bosch, Joan","Enantioselective, protecting group-free synthesis of 1S-ethyl-4-substituted quinolizidines.","Organic & biomolecular chemistry","2012","10","34","6866","6875","10.1039/c2ob25392e","","x-ray","0.71073","MoKα","","0.1709","0.0528","","","0.1158","0.1479","","","","","","0.888","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152547","5.7061","0.0005","17.048","0.0015","18.4614","0.0016","90","","90","","90","","1795.9","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 Br N O -","- C22 H20 Br N O -","- C88 H80 Br4 N4 O4 -","4","1","","Liu, Xin-Yuan; Xiao, Ya-Ping; Siu, Fung-Ming; Ni, Li-Chen; Chen, Yong; Wang, Lin; Che, Chi-Ming","Highly regio-, diastereo- and enantioselective one-pot gold/chiral Brønsted acid-catalysed cascade synthesis of bioactive diversely substituted tetrahydroquinolines.","Organic & biomolecular chemistry","2012","10","35","7208","7219","10.1039/c2ob25753j","","","1.54178","CuKα","","0.0231","0.0228","","","0.0637","0.064","","","","","","1.069","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152548","8.4384","0.0003","5.3564","0.0002","16.3563","0.0005","90","","93.619","0.002","90","","737.82","0.04","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H16 Br N O -","- C17 H16 Br N O -","- C34 H32 Br2 N2 O2 -","2","1","","Liu, Xin-Yuan; Xiao, Ya-Ping; Siu, Fung-Ming; Ni, Li-Chen; Chen, Yong; Wang, Lin; Che, Chi-Ming","Highly regio-, diastereo- and enantioselective one-pot gold/chiral Brønsted acid-catalysed cascade synthesis of bioactive diversely substituted tetrahydroquinolines.","Organic & biomolecular chemistry","2012","10","35","7208","7219","10.1039/c2ob25753j","","","1.54178","CuKα","","0.0587","0.0435","","","0.1099","0.1189","","","","","","1.048","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152549","11.135","0.002","11.251","0.002","14.491","0.003","106.087","0.004","90.501","0.004","114.229","0.004","1575.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H32 N2 O10 S2 -","- C33 H32 N2 O10 S -","- C66 H64 N4 O20 S2 -","2","1","","Medina, Sandra; González-Gómez, Alvaro; Domínguez, Gema; Pérez-Castells, Javier","Medium-sized and strained heterocycles from non-catalysed and gold-catalysed conversions of β-carbolines.","Organic & biomolecular chemistry","2012","10","35","7167","7176","10.1039/c2ob25755f","","","0.71073","MoKα","","0.2642","0.0754","","","0.1846","0.2485","","","","","","0.805","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152550","10.39","0.002","17.643","0.003","8.429","0.002","92.81","0.02","113.88","0.01","90.83","0.01","1410.2","0.5","293.2","","293.2","","","","","","","","","5","P -1","-P 1","2","C31 H31 Br1 O2 Sn1","","","- C31 H31 Br O2 Sn -","- C31 H31 Br O2 Sn -","- C62 H62 Br2 O4 Sn2 -","2","1","","Hobson, Lindsay A.; Thomas, Eric J.","Concerning the 1,5-stereocontrol in tin(iv) chloride promoted reactions of 4- and 5-alkoxyalk-2-enylstannanes: trapping intermediate allyltin trichlorides using phenyllithium.","Organic & biomolecular chemistry","2012","10","37","7510","7526","10.1039/c2ob25765c","","","0.7107","MoKα","","0.0853","0.0403","","0.0473","0.0381","","","","1.744","1.724","1.724","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152551","10.7933","0.0014","16.163","0.002","13.5195","0.0019","90","","94.48","0.004","90","","2351.3","0.5","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H66 O6 Si3 -","- C43 H66 O6 Si3 -","- C86 H132 O12 Si6 -","2","1","","Díaz-Oltra, Santiago; Ruiz, Purificación; Falomir, Eva; Murga, Juan; Carda, Miguel; Marco, J. Alberto","Double diastereoselection in anti aldol reactions mediated by dicyclohexylchloroborane between an l-erythrulose derivative and chiral aldehydes.","Organic & biomolecular chemistry","2012","10","34","6937","6944","10.1039/c2ob25803j","","","0.71073","MoKα","","0.2282","0.1046","","","0.2684","0.3501","","","","","","1.024","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152552","14.316","0.003","15.96","0.004","16.397","0.004","90","","90","","90","","3746.4","1.5","571","2","571","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H52 O8 Si2 -","- C34 H52 O8 Si2 -","- C136 H208 O32 Si8 -","4","1","","Díaz-Oltra, Santiago; Ruiz, Purificación; Falomir, Eva; Murga, Juan; Carda, Miguel; Marco, J. Alberto","Double diastereoselection in anti aldol reactions mediated by dicyclohexylchloroborane between an l-erythrulose derivative and chiral aldehydes.","Organic & biomolecular chemistry","2012","10","34","6937","6944","10.1039/c2ob25803j","","x-ray","0.71073","MoKα","","0.1459","0.0784","","","0.2038","0.2354","","","","","","1.3","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152553","14.2378","0.0013","16.4937","0.0016","19.1231","0.0019","90","","90","","90","","4490.8","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H59 N O7 Si2 -","- C41 H59 N O7 Si2 -","- C164 H236 N4 O28 Si8 -","4","1","","Díaz-Oltra, Santiago; Ruiz, Purificación; Falomir, Eva; Murga, Juan; Carda, Miguel; Marco, J. Alberto","Double diastereoselection in anti aldol reactions mediated by dicyclohexylchloroborane between an l-erythrulose derivative and chiral aldehydes.","Organic & biomolecular chemistry","2012","10","34","6937","6944","10.1039/c2ob25803j","","x-ray","0.71073","MoKα","","0.2039","0.0582","","","0.1235","0.1856","","","","","","0.997","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152554","10.1116","0.001","16.5521","0.0016","13.8615","0.0013","90","","99.705","0.003","90","","2286.8","0.4","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H65 N O6 Si2 -","- C46 H65 N O6 Si2 -","- C92 H130 N2 O12 Si4 -","2","1","","Díaz-Oltra, Santiago; Ruiz, Purificación; Falomir, Eva; Murga, Juan; Carda, Miguel; Marco, J. Alberto","Double diastereoselection in anti aldol reactions mediated by dicyclohexylchloroborane between an l-erythrulose derivative and chiral aldehydes.","Organic & biomolecular chemistry","2012","10","34","6937","6944","10.1039/c2ob25803j","","","0.71073","MoKα","","0.0864","0.0439","","","0.0907","0.1052","","","","","","0.992","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152555","10.734","0.002","11.293","0.002","11.423","0.002","110.54","0.03","90.72","0.03","108.91","0.03","1214.1","0.5","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C47 H63 N O7 Si2 -","- C47 H63 N O7 Si2 -","- C47 H63 N O7 Si2 -","1","1","","Díaz-Oltra, Santiago; Ruiz, Purificación; Falomir, Eva; Murga, Juan; Carda, Miguel; Marco, J. Alberto","Double diastereoselection in anti aldol reactions mediated by dicyclohexylchloroborane between an l-erythrulose derivative and chiral aldehydes.","Organic & biomolecular chemistry","2012","10","34","6937","6944","10.1039/c2ob25803j","","","0.71073","MoKα","","0.1701","0.0814","","","0.2259","0.3089","","","","","","1.003","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152556","7.4889","0.0015","12.379","0.003","45.45","0.009","90","","90.04","0.03","90","","4213.4","1.6","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H61 N O6 Si2 -","- C40 H61 N O6 Si2 -","- C160 H244 N4 O24 Si8 -","4","2","","Díaz-Oltra, Santiago; Ruiz, Purificación; Falomir, Eva; Murga, Juan; Carda, Miguel; Marco, J. Alberto","Double diastereoselection in anti aldol reactions mediated by dicyclohexylchloroborane between an l-erythrulose derivative and chiral aldehydes.","Organic & biomolecular chemistry","2012","10","34","6937","6944","10.1039/c2ob25803j","","","0.71073","MoKα","","0.2755","0.1152","","","0.281","0.3674","","","","","","1.013","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152557","9.8965","0.0017","8.9206","0.0015","11.355","0.002","90","","113.274","0.002","90","","920.9","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H22 Br N O3 -","- C20 H22 Br N O3 -","- C40 H44 Br2 N2 O6 -","2","1","","Barry, Sarah M.; Mueller-Bunz, Helge; Rutledge, Peter J.","Investigating the oxidation of alkenes by non-heme iron enzyme mimics.","Organic & biomolecular chemistry","2012","10","36","7372","7381","10.1039/c2ob25834j","","","0.71073","MoKα","","0.049","0.0438","","","0.1007","0.102","","","","","","1.004","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152558","10.0288","0.0013","15.96","0.002","16.609","0.002","90","","90","","90","","2658.4","0.6","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H32 N2 O3 -","- C32 H32 N2 O3 -","- C128 H128 N8 O12 -","4","1","","Barry, Sarah M.; Mueller-Bunz, Helge; Rutledge, Peter J.","Investigating the oxidation of alkenes by non-heme iron enzyme mimics.","Organic & biomolecular chemistry","2012","10","36","7372","7381","10.1039/c2ob25834j","","","0.71073","MoKα","","0.0297","0.0291","","","0.0733","0.074","","","","","","1.039","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152559","16.8468","0.0003","14.7846","0.0002","24.5438","0.0004","90","","90","","90","","6113.2","0.17","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H40 B2 F4 N4 -","- C34 H40 B2 F4 N4 -","- C272 H320 B16 F32 N32 -","8","1","","Nakamura, Mitsunori; Tahara, Hiroyuki; Takahashi, Kohtaro; Nagata, Toshi; Uoyama, Hiroki; Kuzuhara, Daiki; Mori, Shigeki; Okujima, Tetsuo; Yamada, Hiroko; Uno, Hidemitsu","π-Fused bis-BODIPY as a candidate for NIR dyes.","Organic & biomolecular chemistry","2012","10","34","6840","6849","10.1039/c2ob25930c","","","1.54187","CuKα","","0.0489","0.0421","","","0.1072","0.1109","","","","","","1.075","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152560","24.4208","0.0004","11.8609","0.0002","29.0741","0.0005","90","","118","0.001","90","","7435.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C160 H180 B8 Cl4 F16 N16 -","- C160.005 H180.004 B8 Cl4.0008 F16 N16 -","- C320.01 H360.008 B16 Cl8.0016 F32 N32 -","2","0.5","","Nakamura, Mitsunori; Tahara, Hiroyuki; Takahashi, Kohtaro; Nagata, Toshi; Uoyama, Hiroki; Kuzuhara, Daiki; Mori, Shigeki; Okujima, Tetsuo; Yamada, Hiroko; Uno, Hidemitsu","π-Fused bis-BODIPY as a candidate for NIR dyes.","Organic & biomolecular chemistry","2012","10","34","6840","6849","10.1039/c2ob25930c","","","1.54187","CuKα","","0.0552","0.0438","","","0.1236","0.1326","","","","","","1.177","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152561","16.5658","0.0016","15.3933","0.0015","14.378","0.0012","90","","95.115","0.004","90","","3651.8","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H37 B2 Cl3 F4 N4 -","- C39 H37 B2 Cl3 F4 N4 -","- C156 H148 B8 Cl12 F16 N16 -","4","1","","Nakamura, Mitsunori; Tahara, Hiroyuki; Takahashi, Kohtaro; Nagata, Toshi; Uoyama, Hiroki; Kuzuhara, Daiki; Mori, Shigeki; Okujima, Tetsuo; Yamada, Hiroko; Uno, Hidemitsu","π-Fused bis-BODIPY as a candidate for NIR dyes.","Organic & biomolecular chemistry","2012","10","34","6840","6849","10.1039/c2ob25930c","","","1.54187","CuKα","","0.1747","0.0951","","","0.1861","0.2128","","","","","","1.039","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152562","13.753","0.003","13.11","0.003","25.759","0.005","90","","119.635","0.003","90","","4036.9","1.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 B2 Cl6 F4 N4 -","- C40 H38 B2 Cl6 F4 N4 -","- C160 H152 B8 Cl24 F16 N16 -","4","1","","Nakamura, Mitsunori; Tahara, Hiroyuki; Takahashi, Kohtaro; Nagata, Toshi; Uoyama, Hiroki; Kuzuhara, Daiki; Mori, Shigeki; Okujima, Tetsuo; Yamada, Hiroko; Uno, Hidemitsu","π-Fused bis-BODIPY as a candidate for NIR dyes.","Organic & biomolecular chemistry","2012","10","34","6840","6849","10.1039/c2ob25930c","","","0.7107","MoKα","","0.0784","0.06","","","0.1569","0.1722","","","","","","1.078","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152563","11.0884","0.0003","23.5088","0.0009","13.9282","0.0005","90","","102.606","0.0014","90","","3543.2","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H44 B2 F4 N4 -","- C39 H44 B2 F4 N4 -","- C156 H176 B8 F16 N16 -","4","1","","Nakamura, Mitsunori; Tahara, Hiroyuki; Takahashi, Kohtaro; Nagata, Toshi; Uoyama, Hiroki; Kuzuhara, Daiki; Mori, Shigeki; Okujima, Tetsuo; Yamada, Hiroko; Uno, Hidemitsu","π-Fused bis-BODIPY as a candidate for NIR dyes.","Organic & biomolecular chemistry","2012","10","34","6840","6849","10.1039/c2ob25930c","","","1.54187","CuKα","","0.1076","0.0785","","","0.1978","0.2203","","","","","","1.059","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152564","7.944","0.003","10.964","0.004","13.432","0.004","98.902","0.013","93.514","0.013","104.888","0.014","1110.7","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H50 B2 Cl2 F4 N4 -","- C52 H50 B2 Cl2 F4 N4 -","- C52 H50 B2 Cl2 F4 N4 -","1","0.5","","Nakamura, Mitsunori; Tahara, Hiroyuki; Takahashi, Kohtaro; Nagata, Toshi; Uoyama, Hiroki; Kuzuhara, Daiki; Mori, Shigeki; Okujima, Tetsuo; Yamada, Hiroko; Uno, Hidemitsu","π-Fused bis-BODIPY as a candidate for NIR dyes.","Organic & biomolecular chemistry","2012","10","34","6840","6849","10.1039/c2ob25930c","","","0.71075","MoKα","","0.1916","0.1653","","","0.3905","0.3974","","","","","","1.233","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152565","11.3126","0.0002","29.2235","0.0006","17.1103","0.0003","90","","92.3136","0.0011","90","","5651.95","0.18","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H62 B2 Cl6 F4 N4 -","- C60 H62 B2 Cl6 F4 N4 -","- C240 H248 B8 Cl24 F16 N16 -","4","1","","Nakamura, Mitsunori; Tahara, Hiroyuki; Takahashi, Kohtaro; Nagata, Toshi; Uoyama, Hiroki; Kuzuhara, Daiki; Mori, Shigeki; Okujima, Tetsuo; Yamada, Hiroko; Uno, Hidemitsu","π-Fused bis-BODIPY as a candidate for NIR dyes.","Organic & biomolecular chemistry","2012","10","34","6840","6849","10.1039/c2ob25930c","","","1.54187","CuKα","","0.0817","0.0667","","","0.1806","0.1916","","","","","","1.064","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152566","11.247","0.004","27.084","0.009","17.815","0.006","90","","94.678","0.006","90","","5409","3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H65 B2 Cl F4 N4 -","- C64 H65 B2 Cl F4 N4 -","- C256 H260 B8 Cl4 F16 N16 -","4","1","","Nakamura, Mitsunori; Tahara, Hiroyuki; Takahashi, Kohtaro; Nagata, Toshi; Uoyama, Hiroki; Kuzuhara, Daiki; Mori, Shigeki; Okujima, Tetsuo; Yamada, Hiroko; Uno, Hidemitsu","π-Fused bis-BODIPY as a candidate for NIR dyes.","Organic & biomolecular chemistry","2012","10","34","6840","6849","10.1039/c2ob25930c","","","0.7107","MoKα","","0.086","0.0619","","","0.1394","0.1538","","","","","","1.082","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152567","12.9946","0.0003","13.0045","0.0003","17.9199","0.0004","74.7391","0.0008","88.1657","0.0009","62.091","0.001","2566.87","0.11","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C123 H122 B4 Cl2 F8 N8 O -","- C123 H122 B4 Cl2 F8 N8 O -","- C123 H122 B4 Cl2 F8 N8 O -","1","0.5","","Nakamura, Mitsunori; Tahara, Hiroyuki; Takahashi, Kohtaro; Nagata, Toshi; Uoyama, Hiroki; Kuzuhara, Daiki; Mori, Shigeki; Okujima, Tetsuo; Yamada, Hiroko; Uno, Hidemitsu","π-Fused bis-BODIPY as a candidate for NIR dyes.","Organic & biomolecular chemistry","2012","10","34","6840","6849","10.1039/c2ob25930c","","","1.54187","CuKα","","0.0595","0.0554","","","0.1527","0.1572","","","","","","1.085","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152568","24.4208","0.0005","11.8609","0.0003","27.8392","0.0005","90","","112.763","0.0008","90","","7435.7","0.3","100","","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 B2 F4 N4 -","- C34 H40 B2 F4 N4 -","- C272 H320 B16 F32 N32 -","8","2","","Nakamura, Mitsunori; Tahara, Hiroyuki; Takahashi, Kohtaro; Nagata, Toshi; Uoyama, Hiroki; Kuzuhara, Daiki; Mori, Shigeki; Okujima, Tetsuo; Yamada, Hiroko; Uno, Hidemitsu","π-Fused bis-BODIPY as a candidate for NIR dyes.","Organic & biomolecular chemistry","2012","10","34","6840","6849","10.1039/c2ob25930c","","","1.54187","CuKα","","0.0547","0.0455","","","0.126","0.1302","","","","","","1.135","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152569","9.0943","0.001","11.3949","0.0012","16.064","0.0018","90.442","0.002","97.86","0.002","94.117","0.002","1644.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H30 Cl2 N2 O5 S2 -","- C33 H30 Cl2 N2 O5 S2 -","- C66 H60 Cl4 N4 O10 S4 -","2","1","","Yang, Yuan-Liang; Wei, Yin; Shi, Min","New multifunctional chiral phosphines and BINOL derivatives co-catalyzed enantioselective aza-Morita-Baylis-Hillman reaction of 5,5-disubstituted cyclopent-2-enone and N-sulfonated imines.","Organic & biomolecular chemistry","2012","10","36","7429","7438","10.1039/c2ob25932j","","","0.71073","MoKα","","0.0734","0.056","","","0.1503","0.1631","","","","","","1.057","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152570","13.424","0.002","9.9313","0.0018","20.607","0.004","90","","92.308","0.004","90","","2745.1","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H26 Br N O3 S -","- C31 H26 Br N O3 S -","- C124 H104 Br4 N4 O12 S4 -","4","1","","Yang, Yuan-Liang; Wei, Yin; Shi, Min","New multifunctional chiral phosphines and BINOL derivatives co-catalyzed enantioselective aza-Morita-Baylis-Hillman reaction of 5,5-disubstituted cyclopent-2-enone and N-sulfonated imines.","Organic & biomolecular chemistry","2012","10","36","7429","7438","10.1039/c2ob25932j","","","0.71073","MoKα","","0.179","0.0841","","","0.1619","0.1948","","","","","","1.034","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152571","11.4072","0.0009","10.0831","0.0004","10.674","0.0009","90","","117.075","0.011","90","","1093.18","0.17","150","","150","","","","","","","","synthesized","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N12 -","- C20 H28 N12 -","- C40 H56 N24 -","2","0.5","","White, Nicholas G.; Carvalho, Sílvia; Félix, Vítor; Beer, Paul D.","Anion binding in aqueous media by a tetra-triazolium macrocycle.","Organic & biomolecular chemistry","2012","10","34","6951","6959","10.1039/c2ob25934f","","","1.54184","CuKα","","0.0876","0.083","","0.2574","0.2523","0.2574","","","","","","1.0816","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152572","5.5624","0.0002","9.412","0.0003","12.0631","0.0005","76.0194","0.0016","86.5052","0.0015","81.839","0.002","606.4","0.04","150","","150","","","","","","","","synthesized","3","P -1","-P 1","2","","","","- C26 H24 N12 -","- C26 H24 N12 -","- C26 H24 N12 -","1","0.5","","White, Nicholas G.; Carvalho, Sílvia; Félix, Vítor; Beer, Paul D.","Anion binding in aqueous media by a tetra-triazolium macrocycle.","Organic & biomolecular chemistry","2012","10","34","6951","6959","10.1039/c2ob25934f","","","0.71073","MoKα","","0.0692","0.0459","","0.1475","0.1185","0.1475","","","","","","0.9471","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152573","16.4629","0.001","10.8655","0.0008","15.7413","0.0011","90","","107.516","0.004","90","","2685.2","0.3","150","","150","","","","","","","","synthesized","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H30 N12 O3 -","- C26 H30 N12 O3 -","- C104 H120 N48 O12 -","4","0.5","","White, Nicholas G.; Carvalho, Sílvia; Félix, Vítor; Beer, Paul D.","Anion binding in aqueous media by a tetra-triazolium macrocycle.","Organic & biomolecular chemistry","2012","10","34","6951","6959","10.1039/c2ob25934f","","","0.71073","MoKα","","0.1124","0.0611","","0.1504","0.1206","0.1504","","","","","","0.995","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152574","7.67099","0.00016","18.1327","0.0005","14.7503","0.0003","90","","90.726","0.002","90","","2051.54","0.08","150","","150","","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H46 B4 F16 N14 -","- C28 H46 B4 F16 N14 -","- C56 H92 B8 F32 N28 -","2","0.5","","White, Nicholas G.; Carvalho, Sílvia; Félix, Vítor; Beer, Paul D.","Anion binding in aqueous media by a tetra-triazolium macrocycle.","Organic & biomolecular chemistry","2012","10","34","6951","6959","10.1039/c2ob25934f","","","1.5418","CuKα","","0.0608","0.0463","","0.0826","0.0737","0.0826","","","","","","0.9762","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152575","25.438","0.002","10.671","0.0005","7.125","0.0002","90","","90","","90","","1934.07","0.19","200","2","200","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","(meso)1-methyl-2,5-diphenethylpyrrolidin-1-ium chloride","","- C21 H28 Cl N -","- C21 H28 Cl N -","- C84 H112 Cl4 N4 -","4","","","Amara, Zacharias; Drège, Emmanuelle; Troufflard, Claire; Retailleau, Pascal; Joseph, Delphine","Solvent-free double aza-Michael under ultrasound irradiation: diastereoselective sequential one-pot synthesis of pyrrolidine Lobelia alkaloids analogues.","Organic & biomolecular chemistry","2012","10","35","7148","7157","10.1039/c2ob25963j","","","1.54187","CuKα","","0.0718","0.0544","","","0.1467","0.1763","","","","","","1.136","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7152576","8.806","0.004","11.377","0.005","26.118","0.008","90","","90","","90","","2616.7","1.8","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","2,2'-(1-benzhydryl-2,5-dihydro-1H-pyrrole-2,5-diyl)bis(1- phenylethanone)","2,2'-(1-benzhydryl-2,5-dihydro-1H-pyrrole-2,5-diyl)bis(1-phenylethanone)","","- C33 H29 N O2 -","- C33 H29 N O2 -","- C132 H116 N4 O8 -","4","0.5","","Amara, Zacharias; Drège, Emmanuelle; Troufflard, Claire; Retailleau, Pascal; Joseph, Delphine","Solvent-free double aza-Michael under ultrasound irradiation: diastereoselective sequential one-pot synthesis of pyrrolidine Lobelia alkaloids analogues.","Organic & biomolecular chemistry","2012","10","35","7148","7157","10.1039/c2ob25963j","","","0.71069","MoKα","","0.0885","0.0635","","","0.1708","0.1925","","","","","","1.05","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152577","9.0546","0.0007","13.7185","0.001","16.4462","0.0012","103.527","0.002","90.913","0.001","100.227","0.001","1951.1","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H10 N2 O3 -","- C15 H10 N2 O3 -","- C90 H60 N12 O18 -","6","3","","Zhou, Wei; Zhang, Yicheng; Li, Pinhua; Wang, Lei","Synthesis of (Z)-3-aryloxy-acrylonitriles, (E)-3-aryloxy-acrylonitriles and 3-cyanobenzofurans through the sequential reactions of phenols with propiolonitriles.","Organic & biomolecular chemistry","2012","10","35","7184","7196","10.1039/c2ob25969a","","","0.71073","MoKα","","0.0811","0.0465","","","0.1457","0.1867","","","","","","1.01","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152578","8.6348","0.0006","14.476","0.0006","10.0498","0.0005","90","","101.186","0.005","90","","1232.33","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 N2 O3 -","- C15 H8 N2 O3 -","- C60 H32 N8 O12 -","4","1","","Zhou, Wei; Zhang, Yicheng; Li, Pinhua; Wang, Lei","Synthesis of (Z)-3-aryloxy-acrylonitriles, (E)-3-aryloxy-acrylonitriles and 3-cyanobenzofurans through the sequential reactions of phenols with propiolonitriles.","Organic & biomolecular chemistry","2012","10","35","7184","7196","10.1039/c2ob25969a","","","0.71073","MoKα","","0.0555","0.0378","","","0.0908","0.101","","","","","","1.023","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152579","6.6502","0.0019","8.0811","0.0019","18.466","0.005","80.28","0.03","84.36","0.03","66.24","0.03","894.7","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H22 O2 -","- C22 H22 O2 -","- C44 H44 O4 -","2","1","","Gluyas, Josef B. G.; Burschka, Christian; Dörrich, Steffen; Vallet, Judith; Gronemeyer, Hinrich; Tacke, Reinhold","Disila-analogues of the synthetic retinoids EC23 and TTNN: synthesis, structure and biological evaluation.","Organic & biomolecular chemistry","2012","10","34","6914","6929","10.1039/c2ob25989c","","","0.71073","MoKα","","0.1034","0.0579","","","0.1443","0.1664","","","","","","0.9","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152580","9.7328","0.001","11.2756","0.0008","35.715","0.004","90","","90","","90","","3919.5","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H22 O2 Si2 -","- C20 H22 O2 Si2 -","- C160 H176 O16 Si16 -","8","1","","Gluyas, Josef B. G.; Burschka, Christian; Dörrich, Steffen; Vallet, Judith; Gronemeyer, Hinrich; Tacke, Reinhold","Disila-analogues of the synthetic retinoids EC23 and TTNN: synthesis, structure and biological evaluation.","Organic & biomolecular chemistry","2012","10","34","6914","6929","10.1039/c2ob25989c","","","0.71073","MoKα","","0.0639","0.0402","","","0.1021","0.1109","","","","","","1.014","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152581","20.5765","0.0009","11.1441","0.0005","8.1245","0.0004","90","","98.927","0.001","90","","1840.43","0.15","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 O2 -","- C23 H24 O2 -","- C92 H96 O8 -","4","1","","Gluyas, Josef B. G.; Burschka, Christian; Dörrich, Steffen; Vallet, Judith; Gronemeyer, Hinrich; Tacke, Reinhold","Disila-analogues of the synthetic retinoids EC23 and TTNN: synthesis, structure and biological evaluation.","Organic & biomolecular chemistry","2012","10","34","6914","6929","10.1039/c2ob25989c","","","0.71073","MoKα","","0.0553","0.0422","","","0.1121","0.1216","","","","","","1.072","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152582","60.024","0.005","11.4478","0.0008","8.7407","0.0006","90","","95.534","0.004","90","","5978.1","0.8","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H22 O3 Si2 -","- C20 H22 O3 Si2 -","- C240 H264 O36 Si24 -","12","3","","Gluyas, Josef B. G.; Burschka, Christian; Dörrich, Steffen; Vallet, Judith; Gronemeyer, Hinrich; Tacke, Reinhold","Disila-analogues of the synthetic retinoids EC23 and TTNN: synthesis, structure and biological evaluation.","Organic & biomolecular chemistry","2012","10","34","6914","6929","10.1039/c2ob25989c","","","0.71073","MoKα","","0.0688","0.0549","","","0.1359","0.1458","","","","","","1.02","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152583","14.635","0.004","10.5599","0.0016","11.643","0.003","90","","94.5","0.03","90","","1793.8","0.7","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H26 Si3 -","- C14 H26 Si3 -","- C56 H104 Si12 -","4","1","","Gluyas, Josef B. G.; Burschka, Christian; Dörrich, Steffen; Vallet, Judith; Gronemeyer, Hinrich; Tacke, Reinhold","Disila-analogues of the synthetic retinoids EC23 and TTNN: synthesis, structure and biological evaluation.","Organic & biomolecular chemistry","2012","10","34","6914","6929","10.1039/c2ob25989c","","","0.71073","MoKα","","0.0719","0.0425","","","0.0981","0.1084","","","","","","0.913","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152584","6.227","0.0008","10.0764","0.0018","14.0512","0.0019","90","","91.347","0.016","90","","881.4","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H24 O Si3 -","- C13 H24 O Si3 -","- C26 H48 O2 Si6 -","2","1","","Gluyas, Josef B. G.; Burschka, Christian; Dörrich, Steffen; Vallet, Judith; Gronemeyer, Hinrich; Tacke, Reinhold","Disila-analogues of the synthetic retinoids EC23 and TTNN: synthesis, structure and biological evaluation.","Organic & biomolecular chemistry","2012","10","34","6914","6929","10.1039/c2ob25989c","","","0.71073","MoKα","","0.0585","0.0433","","","0.1094","0.1232","","","","","","1.053","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152585","12.8871","0.0017","8.8099","0.0011","14.4156","0.0014","90","","116.374","0.012","90","","1466.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H20 O2 Si2 -","- C13 H20 O2 Si2 -","- C52 H80 O8 Si8 -","4","1","","Gluyas, Josef B. G.; Burschka, Christian; Dörrich, Steffen; Vallet, Judith; Gronemeyer, Hinrich; Tacke, Reinhold","Disila-analogues of the synthetic retinoids EC23 and TTNN: synthesis, structure and biological evaluation.","Organic & biomolecular chemistry","2012","10","34","6914","6929","10.1039/c2ob25989c","","","0.71073","MoKα","","0.0541","0.0446","","","0.1194","0.1252","","","","","","1.06","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152586","17.973","0.004","5.5806","0.0008","27.605","0.006","90","","90.75","0.03","90","","2768.5","0.9","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 O2 Si2 -","- C12 H18 O2 Si2 -","- C96 H144 O16 Si16 -","8","1","","Gluyas, Josef B. G.; Burschka, Christian; Dörrich, Steffen; Vallet, Judith; Gronemeyer, Hinrich; Tacke, Reinhold","Disila-analogues of the synthetic retinoids EC23 and TTNN: synthesis, structure and biological evaluation.","Organic & biomolecular chemistry","2012","10","34","6914","6929","10.1039/c2ob25989c","","","0.71073","MoKα","","0.0417","0.037","","","0.1054","0.108","","","","","","1.104","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152587","10.3734","0.0006","11.1736","0.0007","36.103","0.002","90","","90","","90","","4184.6","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H24 O2 Si2 -","- C22 H24 O2 Si2 -","- C176 H192 O16 Si16 -","8","1","","Gluyas, Josef B. G.; Burschka, Christian; Dörrich, Steffen; Vallet, Judith; Gronemeyer, Hinrich; Tacke, Reinhold","Disila-analogues of the synthetic retinoids EC23 and TTNN: synthesis, structure and biological evaluation.","Organic & biomolecular chemistry","2012","10","34","6914","6929","10.1039/c2ob25989c","","","0.71073","MoKα","","0.0634","0.0469","","","0.1125","0.1229","","","","","","1.03","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152588","24.717","0.002","4.8349","0.0004","15.6744","0.0013","90","","113.833","0.002","90","","1713.4","0.2","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C6 H11 I N O2 -","- C6 H10 I N O2.25 -","- C48 H80 I8 N8 O18 -","8","2","","Deshmukh, Sharad Chandrakant; Roy, Arundhati; Talukdar, Pinaki","Diastereoselective construction of syn-α-oxyamines via three-component α-oxyaldehyde-dibenzylamine-alkyne coupling reaction: application in the synthesis of (+)-β-conhydrine and its analogues.","Organic & biomolecular chemistry","2012","10","37","7536","7544","10.1039/c2ob26007g","","","0.71073","MoKα","","0.037","0.03","","","0.0674","0.0716","","","","","","0.904","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152589","9.0684","0.0018","14.326","0.003","15.214","0.003","83.83","0.03","89.85","0.03","89.66","0.03","1965","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H39 N7 O6 -","- C44 H39 N7 O6 -","- C88 H78 N14 O12 -","2","1","","Zhang, Yuping; Jiang, Shimei","Fluoride-responsive gelator and colorimetric sensor based on simple and easy-to-prepare cyano-substituted amide.","Organic & biomolecular chemistry","2012","10","34","6973","6979","10.1039/c2ob26016f","","","0.71073","MoKα","","0.1633","0.0778","","","0.1998","0.2352","","","","","","1.019","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152590","8.157","0.0006","10.1367","0.0007","10.8698","0.0008","90","","101.185","0.001","90","","881.7","0.11","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","sbudh01","","","- C8 H11 N O5 -","- C8 H11 N O5 -","- C32 H44 N4 O20 -","4","1","","Samuel, David; Norrell, Kirsten; Hilmey, David G.","Novel ring chemistry of vitamin B(6) with singlet oxygen and an activated ene: isolated products and identified intermediates suggesting an operable [3 + 2] cycloaddition.","Organic & biomolecular chemistry","2012","10","36","7278","7281","10.1039/c2ob26067k","","","0.71073","MoKα","","0.0351","0.0322","","","0.0931","0.0954","","","","","","1.077","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152591","7.8267","0.0006","11.7766","0.0008","26.1425","0.0019","90","","90","","90","","2409.6","0.3","100","0.5","100","0.5","","","","","","","","5","P b c a","-P 2ac 2ab","61","sbudh02","","","- C13 H13 D3 N2 O5 -","- C13 H13 D3 N2 O5 -","- C104 H104 D24 N16 O40 -","8","1","","Samuel, David; Norrell, Kirsten; Hilmey, David G.","Novel ring chemistry of vitamin B(6) with singlet oxygen and an activated ene: isolated products and identified intermediates suggesting an operable [3 + 2] cycloaddition.","Organic & biomolecular chemistry","2012","10","36","7278","7281","10.1039/c2ob26067k","","","0.71073","MoKα","","0.0577","0.0434","","","0.1174","0.1236","","","","","","1.053","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152592","5.276","0.0012","14.278","0.003","17.698","0.004","90","","90","","90","","1333.2","0.5","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 Br N O3 S -","- C11 H12 Br N O3 S -","- C44 H48 Br4 N4 O12 S4 -","4","1","","Yang, Wen; Du, Da-Ming","Squaramide-catalysed enantio- and diastereoselective sulfa-Michael addition of thioacetic acid to α,β-disubstituted nitroalkenes.","Organic & biomolecular chemistry","2012","10","34","6876","6884","10.1039/c2ob26068a","","","0.71073","MoKα","","0.0477","0.0316","","","0.0263","0.0278","","","","","","0.783","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7152593","7.5526","0.0011","8.7285","0.0013","17.68","0.003","85.539","0.003","82.149","0.003","87.533","0.003","1150.5","0.3","291","2","291","2","","","","","","","see text","4","P -1","-P 1","2","","","","- C23 H35 O3 Si -","- C23 H35 O3 Si -","- C46 H70 O6 Si2 -","2","1","","Mehta, Goverdhan; Samineni, Ramesh; Srihari, Pabbaraja; Reddy, R. Gajendra; Chakravarty, Sumana","Diverted organic synthesis (DOS): accessing a new, natural product inspired, neurotrophically active scaffold through an intramolecular Pauson-Khand reaction.","Organic & biomolecular chemistry","2012","10","34","6830","6833","10.1039/c2ob26107c","","","0.71073","MoKa","","0.19","0.1084","","","0.2088","0.243","","","","","","1.07","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152594","10.026","0.004","12.876","0.004","21.444","0.007","90","","90","","90","","2768.3","1.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 F6 O6 S -","- C28 H24 F6 O6 S -","- C112 H96 F24 O24 S4 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Brannigan, Ian N.; Evans, Timothy A.; Haughey, Simon A.; McMurray, Brian T.; Malone, John F.; McIntyre, Peter B. A.; Stevenson, Paul J.; Allen, Christopher C. R.","Toluene dioxygenase-catalyzed cis-dihydroxylation of benzo[b]thiophenes and benzo[b]furans: synthesis of benzo[b]thiophene 2,3-oxide.","Organic & biomolecular chemistry","2012","10","36","7292","7304","10.1039/c2ob26120k","","","0.71073","MoKα","","0.1436","0.0613","","","0.1065","0.136","","","","","","1.02","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152595","10.186","0.003","12.692","0.004","10.984","0.003","90","","93.75","0.02","90","","1417","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H22 F6 O6 S -","- C28 H22 F6 O6 S -","- C56 H44 F12 O12 S2 -","2","1","","Boyd, Derek R.; Sharma, Narain D.; Brannigan, Ian N.; Evans, Timothy A.; Haughey, Simon A.; McMurray, Brian T.; Malone, John F.; McIntyre, Peter B. A.; Stevenson, Paul J.; Allen, Christopher C. R.","Toluene dioxygenase-catalyzed cis-dihydroxylation of benzo[b]thiophenes and benzo[b]furans: synthesis of benzo[b]thiophene 2,3-oxide.","Organic & biomolecular chemistry","2012","10","36","7292","7304","10.1039/c2ob26120k","","","0.71073","MoKα","","0.1793","0.0626","","","0.0912","0.1215","","","","","","1.033","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152596","6.783","0.002","16.637","0.006","23.581","0.009","90","","90","","90","","2661.1","1.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 F6 O7 -","- C28 H22 F6 O7 -","- C112 H88 F24 O28 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Brannigan, Ian N.; Evans, Timothy A.; Haughey, Simon A.; McMurray, Brian T.; Malone, John F.; McIntyre, Peter B. A.; Stevenson, Paul J.; Allen, Christopher C. R.","Toluene dioxygenase-catalyzed cis-dihydroxylation of benzo[b]thiophenes and benzo[b]furans: synthesis of benzo[b]thiophene 2,3-oxide.","Organic & biomolecular chemistry","2012","10","36","7292","7304","10.1039/c2ob26120k","","","1.54178","CuKα","","0.1033","0.069","","","0.1732","0.2055","","","","","","1.021","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152597","10.0397","0.0008","7.5575","0.0006","20.5113","0.0015","90","","97.104","0.002","90","","1544.3","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 B Br O2 -","- C15 H20 B Br O2 -","- C60 H80 B4 Br4 O8 -","4","1","","Yuan, Weiming; Ma, Shengming","CuCl-K(2)CO(3)-catalyzed highly selective borylcupration of internal alkynes - ligand effect.","Organic & biomolecular chemistry","2012","10","36","7266","7268","10.1039/c2ob26147b","","","0.71073","MoKα","","0.0563","0.0369","","","0.0892","0.099","","","","","","1.036","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152598","12.1475","0.0011","6.0763","0.0006","24.653","0.002","90","","90.38","0.003","90","","1819.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H29 B O2 -","- C19 H29 B O2 -","- C76 H116 B4 O8 -","4","1","","Yuan, Weiming; Ma, Shengming","CuCl-K(2)CO(3)-catalyzed highly selective borylcupration of internal alkynes - ligand effect.","Organic & biomolecular chemistry","2012","10","36","7266","7268","10.1039/c2ob26147b","","","0.71073","MoKα","","0.0651","0.0494","","","0.1186","0.1302","","","","","","1.056","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152599","7.6581","0.0001","8.0433","0.0002","50.1404","0.0007","90","","90","","90","","3088.47","0.1","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H17 N O -","- C21 H17 N O -","- C168 H136 N8 O8 -","8","1","","Jiang, Xin-Dong; Gao, Ruina; Yue, Yi; Sun, Guo-Tao; Zhao, Weili","A NIR BODIPY dye bearing 3,4,4a-trihydroxanthene moieties.","Organic & biomolecular chemistry","2012","10","34","6861","6865","10.1039/c2ob26218e","","","0.71073","MoKα","","0.1188","0.0937","","","0.2036","0.216","","","","","","1.152","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152600","8.8228","0.0003","20.4039","0.0007","9.9068","0.0004","90","","106.586","0.002","90","","1709.21","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Br N O3 -","- C19 H20 Br N O3 -","- C76 H80 Br4 N4 O12 -","4","1","","Börger, Carsten; Kataeva, Olga; Knölker, Hans-Joachim","Novel approach to biscarbazole alkaloids via Ullmann coupling - synthesis of murrastifoline-A and bismurrayafoline-A.","Organic & biomolecular chemistry","2012","10","36","7269","7273","10.1039/c2ob26229k","","","0.71073","MoKα","","0.0545","0.0335","","","0.0693","0.0733","","","","","","0.904","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152601","7.6851","0.0003","16.8705","0.0005","16.3611","0.0005","90","","90","","90","","2121.24","0.12","123","","123","","","","","","","","see text","3","P b c n","-P 2n 2ab","60","","","","- C28 H30 O -","- C28 H30 O -","- C112 H120 O4 -","4","0.5","","Posavec, Damir; Zabel, Manfred; Bogner, Udo; Bernhardt, Günther; Knör, Günther","Functionalized derivatives of 1,4-dimethylnaphthalene as precursors for biomedical applications: synthesis, structures, spectroscopy and photochemical activation in the presence of dioxygen.","Organic & biomolecular chemistry","2012","10","35","7062","7069","10.1039/c2ob26236c","","x-ray","1.54184","CuKα","","0.051","0.0444","","","0.1234","0.1282","","","","","","1.059","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152602","8.1442","0.0003","4.8533","0.0002","27.81","0.0011","90","","94.01","0.004","90","","1096.53","0.07","123","","123","","","","","","","","see text","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 O -","- C14 H16 O -","- C56 H64 O4 -","4","1","","Posavec, Damir; Zabel, Manfred; Bogner, Udo; Bernhardt, Günther; Knör, Günther","Functionalized derivatives of 1,4-dimethylnaphthalene as precursors for biomedical applications: synthesis, structures, spectroscopy and photochemical activation in the presence of dioxygen.","Organic & biomolecular chemistry","2012","10","35","7062","7069","10.1039/c2ob26236c","","x-ray","1.54184","CuKα","","0.0464","0.0392","","","0.1094","0.1136","","","","","","1.051","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152603","18.3395","0.0006","19.6643","0.0005","8.8486","0.0002","90","","100.766","0.003","90","","3134.93","0.15","100","","100","","","","","","","","synthesized","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 N2 O7 -","- C34 H42 N2 O7 -","- C136 H168 N8 O28 -","4","1","","Spence, Graeme T.; White, Nicholas G.; Beer, Paul D.","Investigating the effect of macrocycle size in anion templated imidazolium-based interpenetrated and interlocked assemblies.","Organic & biomolecular chemistry","2012","10","36","7282","7291","10.1039/c2ob26237a","","","0.6889","synchrotron","","0.086","0.0738","","0.1692","0.158","0.1692","","","","","","0.9337","","","","has coordinates,has disorder","180312","2020-10-21","18:00:00",""
"7152604","9.0382","0.0004","16.6844","0.0006","19.2103","0.0012","79.817","0.004","77.978","0.004","89.217","0.003","2787.9","0.2","150","","150","","","","","","","","synthesized","5","P 1","P 1","1","","","","- C51.5 H74.5 Cl5.5 N4 O7 -","- C51.5 H74.5 Cl5.5 N4 O7 -","- C103 H149 Cl11 N8 O14 -","2","2","","Spence, Graeme T.; White, Nicholas G.; Beer, Paul D.","Investigating the effect of macrocycle size in anion templated imidazolium-based interpenetrated and interlocked assemblies.","Organic & biomolecular chemistry","2012","10","36","7282","7291","10.1039/c2ob26237a","","","1.5418","CuKα","","0.121","0.1155","","0.3195","0.3081","0.3195","","","","","","1.4241","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152605","5.9235","0.0003","8.7289","0.0005","41.0305","0.0019","90","","90","","90","","2121.51","0.19","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 O2 S -","- C25 H2 O2 S -","- C100 H8 O8 S4 -","4","1","","Kitanosono, Taku; Sakai, Masaru; Ueno, Masaharu; Kobayashi, Shū","Chiral-Sc catalyzed asymmetric Michael addition/protonation of thiols with enones in water.","Organic & biomolecular chemistry","2012","10","35","7134","7147","10.1039/c2ob26264a","","","0.71075","MoKα","","","0.107","","","","0.3185","","","","","","2.022","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152606","5.7153","0.0008","7.9637","0.0012","32.145","0.005","90","","90","","90","","1463.1","0.4","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O S -","- C17 O S -","- C68 O4 S4 -","4","1","","Kitanosono, Taku; Sakai, Masaru; Ueno, Masaharu; Kobayashi, Shū","Chiral-Sc catalyzed asymmetric Michael addition/protonation of thiols with enones in water.","Organic & biomolecular chemistry","2012","10","35","7134","7147","10.1039/c2ob26264a","","","0.71075","MoKα","","","0.0953","","","","0.2809","","","","","","1.65","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152607","9.1969","0.001","11.1313","0.0012","12.8767","0.0014","90","","100.477","0.002","90","","1296.3","0.2","100","0.5","100","0.5","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","ritmc01","","","- C15 H16 O4 -","- C15 H16 O4 -","- C60 H64 O16 -","4","1","","Swenson, Andrew K.; Higgins, Kate E.; Brewer, Matthew G.; Brennessel, William W.; Coleman, Michael G.","Highly selective synthesis of tetra-substituted furans and cyclopropenes: copper(i)-catalyzed formal cycloadditions of internal aryl alkynes and diazoacetates.","Organic & biomolecular chemistry","2012","10","37","7483","7486","10.1039/c2ob26295a","","","0.71073","MoKα","","0.055","0.0417","","","0.1139","0.1247","","","","","","1.018","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152608","8.0488","0.0008","12.3096","0.0012","14.1598","0.0014","104.845","0.002","101.999","0.002","92.355","0.002","1319.8","0.2","100","0.5","100","0.5","","","","","","","","3","P -1","-P 1","2","ritmc04","","","- C15 H16 O5 -","- C15 H16 O5 -","- C60 H64 O20 -","4","2","","Swenson, Andrew K.; Higgins, Kate E.; Brewer, Matthew G.; Brennessel, William W.; Coleman, Michael G.","Highly selective synthesis of tetra-substituted furans and cyclopropenes: copper(i)-catalyzed formal cycloadditions of internal aryl alkynes and diazoacetates.","Organic & biomolecular chemistry","2012","10","37","7483","7486","10.1039/c2ob26295a","","","0.71073","MoKα","","0.1102","0.0575","","","0.1259","0.1515","","","","","","0.999","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152609","23.271","0.003","7.479","0.0011","25.546","0.004","90","","99.779","0.002","90","","4381.5","1.1","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","ritmc06","","","- C21 H30 O5 Si -","- C21 H30 O5 Si -","- C168 H240 O40 Si8 -","8","1","","Swenson, Andrew K.; Higgins, Kate E.; Brewer, Matthew G.; Brennessel, William W.; Coleman, Michael G.","Highly selective synthesis of tetra-substituted furans and cyclopropenes: copper(i)-catalyzed formal cycloadditions of internal aryl alkynes and diazoacetates.","Organic & biomolecular chemistry","2012","10","37","7483","7486","10.1039/c2ob26295a","","","0.71073","MoKα","","0.1073","0.0516","","","0.1164","0.1425","","","","","","1","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152610","7.9801","0.0005","9.5704","0.0006","11.5449","0.0007","105.321","0.001","108.834","0.001","101.854","0.001","762.94","0.08","100","0.5","100","0.5","","","","","","","","3","P -1","-P 1","2","ritmc08","","","- C19 H18 O3 -","- C19 H18 O3 -","- C38 H36 O6 -","2","1","","Swenson, Andrew K.; Higgins, Kate E.; Brewer, Matthew G.; Brennessel, William W.; Coleman, Michael G.","Highly selective synthesis of tetra-substituted furans and cyclopropenes: copper(i)-catalyzed formal cycloadditions of internal aryl alkynes and diazoacetates.","Organic & biomolecular chemistry","2012","10","37","7483","7486","10.1039/c2ob26295a","","","0.71073","MoKα","","0.0672","0.0492","","","0.1323","0.1457","","","","","","1.046","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152611","8.3285","0.0005","9.7137","0.0006","10.228","0.0006","102.466","0.001","109.023","0.001","97.827","0.001","744.45","0.08","100","0.5","100","0.5","","","","","","","","3","P -1","-P 1","2","ritmc09","","","- C17 H18 O6 -","- C17 H18 O6 -","- C34 H36 O12 -","2","1","","Swenson, Andrew K.; Higgins, Kate E.; Brewer, Matthew G.; Brennessel, William W.; Coleman, Michael G.","Highly selective synthesis of tetra-substituted furans and cyclopropenes: copper(i)-catalyzed formal cycloadditions of internal aryl alkynes and diazoacetates.","Organic & biomolecular chemistry","2012","10","37","7483","7486","10.1039/c2ob26295a","","","0.71073","MoKα","","0.0867","0.0497","","","0.1189","0.1404","","","","","","1.02","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152612","5.551","0.003","11.084","0.006","24.666","0.014","90","","90","","90","","1517.6","1.4","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C76 H60 N4 O12 -","4","1","","Yang, Lihua; Xie, Peizhong; Li, Erqing; Li, Xin; Huang, You; Chen, Ruyu","Phosphine-catalyzed domino reaction: an efficient method for the synthesis of highly functionalized spirooxazolines.","Organic & biomolecular chemistry","2012","10","37","7628","7634","10.1039/c2ob26338f","","","0.71073","MoKα","","0.0602","0.0483","","","0.0872","0.0927","","","","","","1.021","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152613","8.6996","0.0003","9.4687","0.0003","11.8581","0.0004","87.36","0.002","71.996","0.001","77.073","0.001","905.14","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H13 N O8 -","- C22 H13 N O8 -","- C44 H26 N2 O16 -","2","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.0571","0.0453","","","0.1158","0.1239","","","","","","1.043","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152614","16.028","0.0012","14.4028","0.0012","21.1809","0.0018","90","","90","","90","","4889.6","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H23 N O6 -","- C32 H23 N O6 -","- C256 H184 N8 O48 -","8","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.0823","0.0553","","","0.1514","0.1638","","","","","","1.032","","","","has coordinates,has disorder","180312","2020-10-21","18:00:00",""
"7152615","8.9975","0.0008","10.6797","0.0011","11.4242","0.0017","107.022","0.008","99.434","0.008","111.65","0.005","928.8","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H18 O9 -","- C20 H18 O9 -","- C40 H36 O18 -","2","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.082","0.0465","","","0.1176","0.1294","","","","","","1.052","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152616","11.3807","0.0005","8.1698","0.0004","40.685","0.0016","90","","90","","90","","3782.8","0.3","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H18 O10 -","- C20 H18 O10 -","- C160 H144 O80 -","8","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.0611","0.0516","","","0.1209","0.1248","","","","","","1.09","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152617","10.7404","0.0019","7.6871","0.0015","12.188","0.002","90","","91.526","0.012","90","","1005.9","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H13 F7 O7 -","- C20 H13 F7 O7 -","- C40 H26 F14 O14 -","2","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.0564","0.0397","","","0.0895","0.0975","","","","","","1.025","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152618","22.8935","0.0006","8.2045","0.0002","21.6152","0.0005","90","","98.132","0.001","90","","4019.15","0.17","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H17 F O7 -","- C23 H17 F O7 -","- C184 H136 F8 O56 -","8","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.0772","0.0492","","","0.1252","0.1353","","","","","","1.047","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152619","18.4149","0.0009","5.8081","0.0003","21.3309","0.0012","90","","96.645","0.003","90","","2266.1","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 O3 S -","- C29 H20 O3 S -","- C116 H80 O12 S4 -","4","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.1405","0.0612","","","0.1038","0.1322","","","","","","1.029","","","","has coordinates,has disorder","180312","2020-10-21","18:00:00",""
"7152620","8.0894","0.0004","8.8477","0.0004","11.6944","0.0005","95.198","0.002","97.489","0.002","90.9","0.002","826.13","0.07","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H14 O6 -","- C22 H14 O6 -","- C44 H28 O12 -","2","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.0703","0.0436","","","0.1064","0.1233","","","","","","1.043","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152621","10.5603","0.0005","8.7419","0.0004","25.2998","0.0011","90","","94.71","0.002","90","","2327.72","0.18","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31.5 H24 O3.5 -","- C31 H22 O3 -","- C124 H88 O12 -","4","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.0915","0.0527","","","0.1121","0.126","","","","","","1.012","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152622","9.4746","0.0004","10.2347","0.0004","11.4323","0.0004","65.728","0.002","71.993","0.002","82.309","0.002","961.06","0.07","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H18 O7 -","- C23 H18 O7 -","- C46 H36 O14 -","2","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.07","0.0461","","","0.1131","0.128","","","","","","1.032","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152623","36.4369","0.0012","40.2125","0.0014","6.8319","0.0002","90","","90","","90","","10010.2","0.6","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C31 H21 N O5 -","- C31 H21 N O5 -","- C496 H336 N16 O80 -","16","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.0894","0.0519","","","0.0914","0.1055","","","","","","1.089","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152624","7.6625","0.0007","22.434","0.002","25.438","0.003","90","","90","","90","","4372.8","0.8","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H20 O3 S -","- C29 H20 O3 S -","- C232 H160 O24 S8 -","8","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.1469","0.0646","","","0.1225","0.1549","","","","","","1.003","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152625","8.6837","0.0003","12.849","0.0004","13.8588","0.0005","103.171","0.002","93.108","0.002","106.795","0.002","1429.42","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-Hydroxy-1,1-dimethyl-1,2-dihydrobenzo[cd]indol-1-ium trifluoroacetate","","- C15 H14 F3 N O3 -","- C15 H14 F3 N O3 -","- C60 H56 F12 N4 O12 -","4","2","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.0772","0.0704","","","0.1572","0.163","","","","","","1.153","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7152626","9.9646","0.0004","11.9986","0.0005","19.3145","0.0007","90","","90","","90","","2309.27","0.16","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Hydroxy-1,1-dimethyl-1,2-dihydrobenzo[cd]indol-1-ium chloride","","- C13 H14 Cl N O -","- C13 H14 Cl N O -","- C104 H112 Cl8 N8 O8 -","8","1","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.0569","0.0447","","","0.0928","0.098","","","","","","1.138","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152627","18.5849","0.0007","9.1076","0.0003","19.5453","0.0008","90","","112.68","0.002","90","","3052.5","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(1,1-dimethyl-1,2-dihydrobenzo[cd]indol-1-ium-2-yl)-2,5 -dioxocyclopentan-1-ide monohydrate","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C144 H152 N8 O24 -","8","2","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.0777","0.0503","","","0.1149","0.1272","","","","","","1.037","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152628","8.4223","0.0002","9.4076","0.0003","10.8996","0.0003","85.508","0.002","73.336","0.002","68.462","0.002","769.22","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","1-(1,1-dimethyl-1,2-dihydrobenzo[cd]indol-1-ium-2-yl)-2,6- dioxocyclohexan-1-ide monhydrate","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C38 H42 N2 O6 -","2","1","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.0577","0.0434","","","0.105","0.1141","","","","","","1.028","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152629","9.6118","0.0004","10.0248","0.0006","18.7717","0.001","90","","103.18","0.003","90","","1761.13","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(1,1-dimethyl-1,2-dihydrobenzo[cd]indol-1-ium-2-yl)-4,4- dimethyl-2,6-dioxocyclohexan-1-ide","","- C21 H23 N O2 -","- C21 H23 N O2 -","- C84 H92 N4 O8 -","4","1","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.1063","0.0597","","","0.1305","0.1583","","","","","","1.039","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152630","8.336","0.0004","8.7036","0.0003","12.122","0.0006","89.456","0.003","85.19","0.002","65.248","0.003","795.56","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N3 O3 -","- C19 H19 N3 O3 -","- C38 H38 N6 O6 -","2","1","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.0631","0.0489","","","0.1265","0.135","","","","","","1.108","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152631","8.8717","0.0003","11.5384","0.0003","15.619","0.0005","90","","95.98","0.003","90","","1590.14","0.09","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C88 H68 N4 O8 -","4","1","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.0529","0.0387","","","0.0933","0.0966","","","","","","1.111","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152632","10.1338","0.0003","16.0686","0.0005","10.9554","0.0004","90","","95.661","0.003","90","","1775.23","0.1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(1!,1!-Diethyl-1!,2!-dihydrobenzo[cd]indol-1!-ium-2!-yl)-4,6- dioxo-1,3-dioxan-5-ide","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C84 H92 N4 O16 -","4","1","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.0554","0.0376","","","0.0901","0.0942","","","","","","1.023","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152633","6.827","0.0004","8.763","0.0005","13.1899","0.0007","102.408","0.004","98.689","0.004","94.696","0.003","756.45","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","1(1-(dimethylamino)naphth-8-yl)-2,2-bis(acetyl)ethene","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C36 H38 N2 O4 -","2","1","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.095","0.0571","","","0.1261","0.1392","","","","","","1.056","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152634","31.2818","0.0006","7.0957","0.0001","16.7814","0.0003","90","","107.374","0.001","90","","3554.96","0.11","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1!-Ethyl-2,2,2!-trimethyl-2!,4!-dihydro-1!H-spiro((1,3)dioxane- 5,3!-naphtho[1,8-bc]azepine)-4,6-dione","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C168 H184 N8 O32 -","8","1","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.0531","0.0447","","","0.1151","0.1204","","","","","","1.102","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152635","15.0771","0.0005","6.6633","0.0002","15.52","0.0006","90","","109.378","0.004","90","","1470.86","0.09","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-Ethyl-2-methyl-1,2-dihydronaphtho[1,8-bc]azepine-3,3(4H)-dicarbonitrile","","- C18 H17 N3 -","- C18 H17 N3 -","- C72 H68 N12 -","4","1","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.0496","0.0381","","","0.0949","0.0981","","","","","","1.088","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152636","15.9448","0.0012","7.743","0.0006","26.4365","0.0018","90","","90","","90","","3263.9","0.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1!-Methyl-2!,4!-dihydro-1!H-spiro(indene-2,3!-naphtho[1,8-bc]azepine)-1,3-dione","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C176 H136 N8 O16 -","8","1","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.0919","0.0472","","","0.1088","0.1192","","","","","","0.993","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152637","8.8403","0.0005","11.1099","0.0007","35.459","0.002","90","","90","","90","","3482.6","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H43 N O11 P2 -","- C30 H43 N O11 P2 -","- C120 H172 N4 O44 P8 -","4","1","","Zhao, Mei-Xin; Dai, Tong-Lei; Liu, Ran; Wei, Deng-Ke; Zhou, Hao; Ji, Fei-Hu; Shi, Min","Enantioselective Michael addition of 3-aryloxindoles to a vinyl bisphosphonate ester catalyzed by a cinchona alkaloid derived thiourea catalyst.","Organic & biomolecular chemistry","2012","10","39","7970","7979","10.1039/c2ob25966d","","","0.71073","MoKα","","0.0632","0.054","","","0.1483","0.1578","","","","","","1.058","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152638","9.5751","0.0003","14.6142","0.0005","10.3886","0.0003","90","","102.503","0.002","90","","1419.23","0.08","100","","100","","","","","","","","LOC ETH Zurich","6","P 1 21 1","P 2yb","4","","","","- C31 H25 N O4 S2 Si -","- C31 H25 N O4 S2 Si -","- C62 H50 N2 O8 S4 Si2 -","2","1","","Wu, Yi-Lin; Ferroni, Fiammetta; Pieraccini, Silvia; Schweizer, W. Bernd; Frank, Brian B.; Spada, Gian Piero; Diederich, François","1,2-Di(phenylethynyl)ethenes with axially chiral, 2,2'-bridged 1,1'-binaphthyl substituents: potent cholesteric liquid-crystal inducers.","Organic & biomolecular chemistry","2012","10","39","8016","8026","10.1039/c2ob25983d","","","0.71073","MoKα","","0.0411","0.0371","","","0.0911","0.0943","","","","","","1.13","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152639","9.243","0.003","7.153","0.002","8.902","0.003","90","","91.489","0.004","90","","588.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H8 N2 O2 -","- C5 H8 N2 O2 -","- C20 H32 N8 O8 -","4","1","","Ha, Khanh; Monbaliu, Jean-Christophe M; Williams, Byron C.; Pillai, Girinath G.; Ocampo, Charles E.; Zeller, Matthias; Stevens, Christian V.; Katritzky, Alan R.","A convenient synthesis of difficult medium-sized cyclic peptides by Staudinger mediated ring-closure.","Organic & biomolecular chemistry","2012","10","40","8055","8058","10.1039/c2ob25996f","","","0.71073","MoKα","","0.037","0.0346","","","0.0943","0.0965","","","","","","1.053","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152640","5.65","0.0016","7.884","0.002","9.777","0.003","110.051","0.003","90.33","0.004","109.728","0.003","381.45","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H12 N2 O2 -","- C7 H12 N2 O2 -","- C14 H24 N4 O4 -","2","1","","Ha, Khanh; Monbaliu, Jean-Christophe M; Williams, Byron C.; Pillai, Girinath G.; Ocampo, Charles E.; Zeller, Matthias; Stevens, Christian V.; Katritzky, Alan R.","A convenient synthesis of difficult medium-sized cyclic peptides by Staudinger mediated ring-closure.","Organic & biomolecular chemistry","2012","10","40","8055","8058","10.1039/c2ob25996f","","","0.71073","MoKα","","0.0367","0.0353","","","0.0954","0.0965","","","","","","1.039","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152641","32.024","0.003","10.619","0.0009","21.2363","0.0015","90","","90.467","0.003","90","","7221.4","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H39 Cl2 N5 O11 Zn -","- C33 H39 Cl2 N5 O11 Zn -","- C264 H312 Cl16 N40 O88 Zn8 -","8","1","","Rao, Alla Sreenivasa; Singha, Subhankar; Choi, Wonyoung; Ahn, Kyo Han","Studies on acedan-based mononuclear zinc complexes toward selective fluorescent probes for pyrophosphate.","Organic & biomolecular chemistry","2012","10","42","8410","8417","10.1039/c2ob26000j","","","0.71073","MoKα","","0.1454","0.0599","","","0.1148","0.1449","","","","","","0.997","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152642","15.2071","0.0006","31.4686","0.0013","15.2236","0.0006","90","","97.554","0.004","90","","7222","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","5,10,15,20-tetratolyl-2-aza-3,21-bis(diphenylphosphoryl)-21- carbaporphiryn 3.25 dichloromethane solvate","5,10,15,20-tetratolyl-2-aza-3,21-bis(diphenylphosphoryl)-21-carbaporphiryn 3.25 dichloromethane solvate","","- C75.25 H62.5 Cl6.5 N4 O2 P2 -","- C74 H60 Cl4 N4 O2 P2 -","- C296 H240 Cl16 N16 O8 P8 -","4","1","","Grzegorzek, Norbert; Latos-Grażyński, Lechosław; Szterenberg, Ludmiła","Regioselective phosphorylation and thiophosphorylation of N-confused porphyrin: a route to hybrid carbaporphyrinoids.","Organic & biomolecular chemistry","2012","10","40","8064","8075","10.1039/c2ob26019k","","","0.71073","MoKα","","0.211","0.0996","","","0.2146","0.2344","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152643","22.7262","0.0008","9.7497","0.0004","29.1825","0.0015","90","","122.445","0.003","90","","5456.8","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Silver(III) complex of 5,10,15,20-tetratolyl-2-aza-3-diphenylphosphoryl-21-carbaporphiryn hexane and dichloromethane solvate","","- C67.1 H70.2 Ag Cl2.2 Cs0 N4 O P -","- C61.1 H46.2 Ag Cl2.2 N4 O P -","- C244.4 H184.8 Ag4 Cl8.8 N16 O4 P4 -","4","1","","Grzegorzek, Norbert; Latos-Grażyński, Lechosław; Szterenberg, Ludmiła","Regioselective phosphorylation and thiophosphorylation of N-confused porphyrin: a route to hybrid carbaporphyrinoids.","Organic & biomolecular chemistry","2012","10","40","8064","8075","10.1039/c2ob26019k","","","0.71073","MoKα","","0.1919","0.0579","","","0.0901","0.0976","","","","","","1.023","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152644","14.482","0.003","13.25","0.003","29.776","0.007","90","","116.67","0.03","90","","5106","2","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","5,10,15,20-tetratolyl-2-aza-21-diphenylthiophosphoryl-21-carbaporphiryn 2.6 dichloromethane solvate","","- C122.58 H99.16 Cl5.16 N8 P2 S2 -","- C122.581 H99.162 Cl5.162 N8 P2 S2 -","- C245.162 H198.324 Cl10.324 N16 P4 S4 -","2","1","","Grzegorzek, Norbert; Latos-Grażyński, Lechosław; Szterenberg, Ludmiła","Regioselective phosphorylation and thiophosphorylation of N-confused porphyrin: a route to hybrid carbaporphyrinoids.","Organic & biomolecular chemistry","2012","10","40","8064","8075","10.1039/c2ob26019k","","","0.71073","MoKα","","0.0947","0.0627","","","0.1517","0.1615","","","","","","1.001","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152645","14.678","0.004","15.687","0.004","20.796","0.006","90","","100.53","0.03","90","","4708","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5,10,15,20-Tetratolyl-2-aza-21-carbaporphiryno-21-diphenylphosphinodithioate","","- C60 H47 N4 P S2 -","- C60 H47 N4 P S2 -","- C240 H188 N16 P4 S8 -","4","1","","Grzegorzek, Norbert; Latos-Grażyński, Lechosław; Szterenberg, Ludmiła","Regioselective phosphorylation and thiophosphorylation of N-confused porphyrin: a route to hybrid carbaporphyrinoids.","Organic & biomolecular chemistry","2012","10","40","8064","8075","10.1039/c2ob26019k","","","0.71073","MoKα","","0.1149","0.0553","","","0.1111","0.1174","","","","","","1.012","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152646","11.966","0.002","10.7644","0.0019","17.134","0.003","90","","107.503","0.003","90","","2104.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 F N3 O2 -","- C23 H22 F N3 O2 -","- C92 H88 F4 N12 O8 -","4","1","","Nair, Vijay; Jose, Anu; Lakshmi, K. C. Seetha; Rajan, Rejithamol; Suresh, Eringathodi","A facile four component protocol for the synthesis of dihydropyridine derivatives.","Organic & biomolecular chemistry","2012","10","38","7747","7752","10.1039/c2ob26074c","","","0.71073","MoKα","","0.1192","0.105","","","0.2015","0.208","","","","","","1.343","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152647","19.2003","0.0006","6.7203","0.0002","11.034","0.0004","90","","99.379","0.002","90","","1404.7","0.08","173","2","173","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C16 H16 O6 -","- C16 H16 O6 -","- C64 H64 O24 -","4","0.5","","Pillay, Adushan; Rousseau, Amanda L.; Fernandes, Manuel A.; de Koning, Charles B.","The synthesis of the pyranonaphthoquinones dehydroherbarin and anhydrofusarubin using Wacker oxidation methodology as a key step and other unexpected oxidation reactions with ceric ammonium nitrate and salcomine.","Organic & biomolecular chemistry","2012","10","38","7809","7819","10.1039/c2ob26126j","","","0.71073","MoKα","","0.0561","0.0439","","","0.1176","0.1261","","","","","","1.069","","","","has coordinates,has disorder","180312","2020-10-21","18:00:00",""
"7152648","13.913","0.004","13.475","0.004","8.404","0.003","90","","94.246","0.009","90","","1571.2","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O9 -","- C16 H15 N O9 -","- C64 H60 N4 O36 -","4","1","","Pillay, Adushan; Rousseau, Amanda L.; Fernandes, Manuel A.; de Koning, Charles B.","The synthesis of the pyranonaphthoquinones dehydroherbarin and anhydrofusarubin using Wacker oxidation methodology as a key step and other unexpected oxidation reactions with ceric ammonium nitrate and salcomine.","Organic & biomolecular chemistry","2012","10","38","7809","7819","10.1039/c2ob26126j","","","0.71073","MoKα","","0.1857","0.0497","","","0.0821","0.116","","","","","","0.874","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152649","8.4652","0.0002","9.605","0.0002","9.634","0.0002","111.536","0.001","90.649","0.002","98.224","0.002","719.41","0.03","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H16 O6 -","- C17 H16 O6 -","- C34 H32 O12 -","2","1","","Pillay, Adushan; Rousseau, Amanda L.; Fernandes, Manuel A.; de Koning, Charles B.","The synthesis of the pyranonaphthoquinones dehydroherbarin and anhydrofusarubin using Wacker oxidation methodology as a key step and other unexpected oxidation reactions with ceric ammonium nitrate and salcomine.","Organic & biomolecular chemistry","2012","10","38","7809","7819","10.1039/c2ob26126j","","","0.71073","MoKα","","0.0665","0.0421","","","0.115","0.1269","","","","","","1.017","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152650","10.659","0.0014","11.1175","0.0008","11.4796","0.0008","115.03","0.003","100.751","0.004","101.47","0.004","1150.5","0.2","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H24 N2 O4 Se -","- C28 H23.5 N2 O4 Se -","- C56 H47 N4 O8 Se2 -","2","2","","Lamani, Devappa S.; Bhowmick, Debasish; Mugesh, Govindasamy","Spirodiazaselenuranes: synthesis, structure and antioxidant activity.","Organic & biomolecular chemistry","2012","10","39","7933","7943","10.1039/c2ob26156a","","","0.71073","MoKα","","0.0524","0.0343","","","0.0784","0.0851","","","","","","1.014","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152651","21.023","0.002","13.153","0.002","11.8836","0.0018","90","","121.836","0.007","90","","2791.7","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H16 Br2 N2 O6 Se -","- C27 H16 Br2 N2 O6 Se -","- C108 H64 Br8 N8 O24 Se4 -","4","0.5","","Lamani, Devappa S.; Bhowmick, Debasish; Mugesh, Govindasamy","Spirodiazaselenuranes: synthesis, structure and antioxidant activity.","Organic & biomolecular chemistry","2012","10","39","7933","7943","10.1039/c2ob26156a","","","0.71073","MoKα","","0.1612","0.0638","","","0.1485","0.1843","","","","","","0.961","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152652","27.425","0.006","5.1133","0.0009","17.468","0.004","90","","109.987","0.013","90","","2302","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N2 O2 Se -","- C28 H24 N2 O2 Se -","- C112 H96 N8 O8 Se4 -","4","0.5","","Lamani, Devappa S.; Bhowmick, Debasish; Mugesh, Govindasamy","Spirodiazaselenuranes: synthesis, structure and antioxidant activity.","Organic & biomolecular chemistry","2012","10","39","7933","7943","10.1039/c2ob26156a","","","0.71073","MoKα","","0.1427","0.0513","","","0.1194","0.1565","","","","","","0.93","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152653","10.1344","0.0003","10.3521","0.0003","12.1801","0.0004","82.512","0.002","78.896","0.002","79.956","0.002","1228.5","0.07","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H N2 O4 Se -","- C28 H21.5 N2 O4 Se -","- C56 H43 N4 O8 Se2 -","2","2","","Lamani, Devappa S.; Bhowmick, Debasish; Mugesh, Govindasamy","Spirodiazaselenuranes: synthesis, structure and antioxidant activity.","Organic & biomolecular chemistry","2012","10","39","7933","7943","10.1039/c2ob26156a","","","0.71073","MoKα","","0.0761","0.0429","","","0.1011","0.1155","","","","","","1.01","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152654","15.0038","0.0007","9.2872","0.0004","17.4994","0.0007","90","","105.64","0.002","90","","2348.14","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N2 O4 Se -","- C28 H22 N2 O4 Se -","- C112 H88 N8 O16 Se4 -","4","1","","Lamani, Devappa S.; Bhowmick, Debasish; Mugesh, Govindasamy","Spirodiazaselenuranes: synthesis, structure and antioxidant activity.","Organic & biomolecular chemistry","2012","10","39","7933","7943","10.1039/c2ob26156a","","","0.71073","MoKα","","0.0401","0.0263","","","0.0592","0.0651","","","","","","1.007","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152655","9.7433","0.0003","11.3443","0.0004","18.273","0.0007","90","","90","","90","","2019.73","0.12","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Cl N O8 -","- C18 H20 Cl N O8 -","- C72 H80 Cl4 N4 O32 -","4","1","","Guo, Zhi-Wei; Xie, Jian-Wu; Chen, Ce; Zhu, Wei-Dong","Asymmetric catalytic [4 + 1] annulations catalyzed by quinidine: enantioselective synthesis of multi-functionalized isoxazoline N-oxides.","Organic & biomolecular chemistry","2012","10","42","8471","8477","10.1039/c2ob26165k","","","0.71073","MoKα","","","0.0525","","","0.1088","0.1305","","","","","","1.024","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152656","6.4262","0.0003","9.951","0.0003","10.4639","0.0004","73.787","0.002","86.704","0.002","75.894","0.002","623.11","0.04","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 F5 N O4 -","- C10 H10 F5 N O4 -","- C20 H20 F10 N2 O8 -","2","1","","Kondratov, Ivan S.; Dolovanyuk, Violetta G.; Tolmachova, Nataliya A.; Gerus, Igor I.; Bergander, Klaus; Fröhlich, Roland; Haufe, Günter","Reactions of β-alkoxyvinyl polyfluoroalkyl ketones with ethyl isocyanoacetate and its use for the synthesis of new polyfluoroalkyl pyrroles and pyrrolidines.","Organic & biomolecular chemistry","2012","10","44","8778","8785","10.1039/c2ob26176f","","","0.71073","MoKα","","0.0763","0.0646","","","0.1438","0.1566","","","","","","1.066","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152657","7.2879","0.0001","18.6931","0.0003","21.3386","0.0004","90","","90","","90","","2907.03","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H42 Cl2 Pd2 -","- C28 H42 Cl2 Pd2 -","- C112 H168 Cl8 Pd8 -","4","1","","Fernandes, Rodney A.; Nallasivam, Jothi L.","Enantioselective allylation of imines catalyzed by newly developed (-)-β-pinene-based π-allylpalladium catalyst: an efficient synthesis of (R)-α-propylpiperonylamine and (R)-pipecolic acid.","Organic & biomolecular chemistry","2012","10","38","7789","7800","10.1039/c2ob26188j","","","0.71073","MoKα","","0.029","0.0255","","","0.0625","0.0632","","","","","","1.005","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152658","18.8854","0.0016","18.8854","0.0016","12.9167","0.0011","90","","90","","120","","3989.6","0.6","293","2","293","2","","","","","","","","4","P 65","P 65","170","","","","- C25 H31 N O9 -","- C25 H31 N O9 -","- C150 H186 N6 O54 -","6","1","","Huang, Xiao-Fei; Liu, Zhao-Min; Geng, Zhi-Cong; Zhang, Shao-Yun; Wang, Yong; Wang, Xing-Wang","Enantioselective construction of multifunctionalized spirocyclohexaneoxindoles through organocatalytic Michael-Aldol cyclization of isatin derived alkenes with linear dialdehydes.","Organic & biomolecular chemistry","2012","10","44","8794","8799","10.1039/c2ob26205c","","","0.7107","MoKα","","0.0961","0.0819","","","0.2295","0.2389","","","","","","1.091","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152659","17.79","0.004","20.166","0.004","6.7371","0.0013","90","","90","","90","","2417","0.9","273","2","273","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C13 H6 F3 N3 S -","- C13 H6 F2.97 N3 S -","- C104 H48 F23.76 N24 S8 -","8","","","Zhang, Xinhai; Jia, Jiong; Ma, Chen","A one-pot regioselective synthesis of benzo[d]imidazo[2,1-b]thiazoles.","Organic & biomolecular chemistry","2012","10","39","7944","7948","10.1039/c2ob26211h","","","0.71073","MoKα","","0.045","0.0317","","","0.076","0.0841","","","","","","1.038","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152660","18.198","0.004","13.615","0.003","17.77","0.004","90","","94.937","0.003","90","","4386.5","1.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H45 N7 O5 -","- C49 H45 N7 O5 -","- C196 H180 N28 O20 -","4","1","","Huang, Liang; Hou, Fengping; Cheng, Ju; Xi, Pinxian; Chen, Fengjuan; Bai, Decheng; Zeng, Zhengzhi","Selective off-on fluorescent chemosensor for detection of Fe(3+) ions in aqueous media.","Organic & biomolecular chemistry","2012","10","48","9634","9638","10.1039/c2ob26258d","","","0.71073","MoKα","","0.0937","0.0538","","","0.1546","0.1854","","","","","","1.102","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152661","13.6753","0.0018","8.3473","0.0011","15.493","0.002","90","","90","","90","","1768.6","0.4","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H17 Cl N2 O3 -","- C19 H17 Cl N2 O3 -","- C76 H68 Cl4 N8 O12 -","4","1","","McIntosh, Melissa L.; Naffziger, Michael R.; Ashburn, Bradley O.; Zakharov, Lev N.; Carter, Rich G.","Highly regioselective nitrile oxide dipolar cycloadditions with ortho-nitrophenyl alkynes.","Organic & biomolecular chemistry","2012","10","46","9204","9213","10.1039/c2ob26267c","","","0.71073","MoKα","","0.0766","0.0541","","","0.1323","0.1484","","","","","","1.027","","","","has coordinates,has disorder","180312","2020-10-21","18:00:00",""
"7152662","7.1538","0.0006","8.3848","0.0007","15.2827","0.0013","78.938","0.001","87.667","0.001","75.921","0.001","872.63","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Br Cl N2 O3 -","- C18 H14 Br Cl N2 O3 -","- C36 H28 Br2 Cl2 N4 O6 -","2","1","","McIntosh, Melissa L.; Naffziger, Michael R.; Ashburn, Bradley O.; Zakharov, Lev N.; Carter, Rich G.","Highly regioselective nitrile oxide dipolar cycloadditions with ortho-nitrophenyl alkynes.","Organic & biomolecular chemistry","2012","10","46","9204","9213","10.1039/c2ob26267c","","","0.71073","MoKα","","0.0514","0.0431","","","0.1072","0.1128","","","","","","1.04","","","","has coordinates,has disorder","180312","2020-10-21","18:00:00",""
"7152663","19.125","0.005","7.3751","0.0019","22.492","0.006","90","","90","","90","","3172.5","1.4","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C144 H128 N16 O24 -","8","2","","McIntosh, Melissa L.; Naffziger, Michael R.; Ashburn, Bradley O.; Zakharov, Lev N.; Carter, Rich G.","Highly regioselective nitrile oxide dipolar cycloadditions with ortho-nitrophenyl alkynes.","Organic & biomolecular chemistry","2012","10","46","9204","9213","10.1039/c2ob26267c","","","0.71073","MoKα","","0.0598","0.0521","","","0.1346","0.1442","","","","","","1.012","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152664","15.8541","0.0016","7.1382","0.0007","16.7066","0.0017","90","","114.406","0.002","90","","1721.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Cl N2 O3 -","- C19 H17 Cl N2 O3 -","- C76 H68 Cl4 N8 O12 -","4","1","","McIntosh, Melissa L.; Naffziger, Michael R.; Ashburn, Bradley O.; Zakharov, Lev N.; Carter, Rich G.","Highly regioselective nitrile oxide dipolar cycloadditions with ortho-nitrophenyl alkynes.","Organic & biomolecular chemistry","2012","10","46","9204","9213","10.1039/c2ob26267c","","","0.71073","MoKα","","0.0462","0.0438","","","0.1219","0.1245","","","","","","1.018","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152665","12.238","0.004","8.006","0.003","28.867","0.01","90","","90","","90","","2828.3","1.7","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H14 N2 O4 -","- C16 H14 N2 O4 -","- C128 H112 N16 O32 -","8","1","","McIntosh, Melissa L.; Naffziger, Michael R.; Ashburn, Bradley O.; Zakharov, Lev N.; Carter, Rich G.","Highly regioselective nitrile oxide dipolar cycloadditions with ortho-nitrophenyl alkynes.","Organic & biomolecular chemistry","2012","10","46","9204","9213","10.1039/c2ob26267c","","","0.71073","MoKα","","0.1151","0.0641","","","0.159","0.1919","","","","","","1.062","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152666","8.853","0.007","15.935","0.013","17.189","0.014","113.95","0.004","100.455","0.008","100.051","0.009","2095","3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H40 Cl2 S8 Si2 -","- C35 H40 Cl2 S8 Si2 -","- C70 H80 Cl4 S16 Si4 -","2","1","","Bouzan, Stephen; Chen, Guang; Mulla, Karimulla; Dawe, Louise N.; Zhao, Yuming","Conformational control of TTFV π-frameworks through naphthyl substituents.","Organic & biomolecular chemistry","2012","10","38","7673","7676","10.1039/c2ob26275d","","","0.71075","MoKα","","0.1067","0.0834","","","0.2162","0.2453","","","","","","1.075","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152667","10.433","0.008","12.641","0.008","12.954","0.008","66.52","0.03","73.94","0.02","83.87","0.03","1505.8","1.8","163","2","163","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H26 S8 -","- C32 H26 S8 -","- C64 H52 S16 -","2","1","","Bouzan, Stephen; Chen, Guang; Mulla, Karimulla; Dawe, Louise N.; Zhao, Yuming","Conformational control of TTFV π-frameworks through naphthyl substituents.","Organic & biomolecular chemistry","2012","10","38","7673","7676","10.1039/c2ob26275d","","","0.71075","MoKα","","0.1235","0.0987","","","0.2593","0.3004","","","","","","1.089","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152668","20.472","0.008","9.432","0.003","15.9","0.006","90","","93.519","0.005","90","","3064.4","1.9","163","2","163","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 S8 -","- C32 H26 S8 -","- C128 H104 S32 -","4","0.5","","Bouzan, Stephen; Chen, Guang; Mulla, Karimulla; Dawe, Louise N.; Zhao, Yuming","Conformational control of TTFV π-frameworks through naphthyl substituents.","Organic & biomolecular chemistry","2012","10","38","7673","7676","10.1039/c2ob26275d","","","0.71075","MoKα","","0.0586","0.0568","","","0.1624","0.1647","","","","","","1.182","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152669","10.667","0.002","9.913","0.002","20.138","0.004","90","","111.543","0.009","90","","1980.7","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 O4 P S -","- C21 H23 O4 P S -","- C84 H92 O16 P4 S4 -","4","1","","Phani Pavan, M.; Nagarjuna Reddy, M.; Bhuvan Kumar, N. N.; Kumara Swamy, K. C.","Base catalysed synthesis of thiochromans and azo-linked chromenes using allenylphosphonates.","Organic & biomolecular chemistry","2012","10","40","8113","8118","10.1039/c2ob26285a","","","0.71073","MoKα","","0.0728","0.0697","","","0.1355","0.1371","","","","","","1.301","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152670","9.127","0.002","17.133","0.003","12.58","0.003","90","","93.34","0.02","90","","1963.8","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 O4 P S -","- C21 H23 O4 P S -","- C84 H92 O16 P4 S4 -","4","1","","Phani Pavan, M.; Nagarjuna Reddy, M.; Bhuvan Kumar, N. N.; Kumara Swamy, K. C.","Base catalysed synthesis of thiochromans and azo-linked chromenes using allenylphosphonates.","Organic & biomolecular chemistry","2012","10","40","8113","8118","10.1039/c2ob26285a","","","0.71073","MoKα","","0.0822","0.0415","","","0.0871","0.0963","","","","","","0.871","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152671","12.3185","0.0007","12.0813","0.0007","18.8019","0.0008","90","","130.587","0.002","90","","2125","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 O5 P S -","- C22 H25 O5 P S -","- C88 H100 O20 P4 S4 -","4","1","","Phani Pavan, M.; Nagarjuna Reddy, M.; Bhuvan Kumar, N. N.; Kumara Swamy, K. C.","Base catalysed synthesis of thiochromans and azo-linked chromenes using allenylphosphonates.","Organic & biomolecular chemistry","2012","10","40","8113","8118","10.1039/c2ob26285a","","","0.71073","MoKα","","0.08","0.0687","","","0.1544","0.1606","","","","","","1.168","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152672","5.952","0.002","9.834","0.004","36.141","0.014","90","","94.321","0.007","90","","2109.4","1.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 O5 P S -","- C22 H25 O5 P S -","- C88 H100 O20 P4 S4 -","4","1","","Phani Pavan, M.; Nagarjuna Reddy, M.; Bhuvan Kumar, N. N.; Kumara Swamy, K. C.","Base catalysed synthesis of thiochromans and azo-linked chromenes using allenylphosphonates.","Organic & biomolecular chemistry","2012","10","40","8113","8118","10.1039/c2ob26285a","","","0.71073","MoKα","","0.0797","0.0593","","","0.1458","0.1616","","","","","","1.077","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152673","6.8884","0.0005","22.6134","0.0016","11.3005","0.0007","90","","111.284","0.003","90","","1640.2","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 O4 P S -","- C16 H21 O4 P S -","- C64 H84 O16 P4 S4 -","4","1","","Phani Pavan, M.; Nagarjuna Reddy, M.; Bhuvan Kumar, N. N.; Kumara Swamy, K. C.","Base catalysed synthesis of thiochromans and azo-linked chromenes using allenylphosphonates.","Organic & biomolecular chemistry","2012","10","40","8113","8118","10.1039/c2ob26285a","","","0.71073","MoKα","","0.0542","0.0497","","","0.1166","0.1195","","","","","","1.132","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152674","21.0466","0.0015","11.4539","0.0008","9.9034","0.0007","90","","91.019","0.001","90","","2387","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 N2 O4 P -","- C28 H27 N2 O4 P -","- C112 H108 N8 O16 P4 -","4","1","","Phani Pavan, M.; Nagarjuna Reddy, M.; Bhuvan Kumar, N. N.; Kumara Swamy, K. C.","Base catalysed synthesis of thiochromans and azo-linked chromenes using allenylphosphonates.","Organic & biomolecular chemistry","2012","10","40","8113","8118","10.1039/c2ob26285a","","","0.71073","MoKα","","0.0508","0.0474","","","0.1156","0.1178","","","","","","1.082","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152675","9.0438","0.0008","12.1015","0.0012","14.1578","0.0014","98.54","0.05","108.13","0.04","110.06","0.03","1325.5","0.7","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H32 N4 O3 -","- C29 H32 N4 O3 -","- C58 H64 N8 O6 -","2","1","","Wang, Jingze; Yang, Qiwu; Song, Haibin; Zhang, Wenqin","A fluorescent probe of N'-formyl-rhodamine B hydrazide: structure and spectral properties of protonation behaviour.","Organic & biomolecular chemistry","2012","10","38","7677","7680","10.1039/c2ob26288f","","","0.71073","MoKα","","0.0652","0.0424","","","0.0954","0.1037","","","","","","0.94","","","","has coordinates,has disorder","180312","2020-10-21","18:00:00",""
"7152676","8.3211","0.0005","9.7981","0.0006","10.1922","0.0006","73.183","0.002","70.006","0.002","85.591","0.002","747.27","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C38 H34 N2 O4 -","2","1","","Chen, Bo; Wang, Nan; Fan, Wu; Ma, Shengming","Efficient synthesis of N-(buta-2,3-dienyl) amides from terminal N-propargyl amides and their synthetic potential towards oxazoline derivatives.","Organic & biomolecular chemistry","2012","10","42","8465","8470","10.1039/c2ob26291f","","","0.71073","MoKα","","0.0494","0.0374","","","0.0934","0.1008","","","","","","1.065","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152677","37.471","0.004","23.257","0.003","23.235","0.003","90","","90","","90","","20248","4","100","2","100","2","","","","","","","Jenny Hiscock","5","P n a 21","P 2c -2n","33","","","","- C160 H354 N18 O46 P8 -","- C160 H330 N18 O46 P8 -","- C640 H1320 N72 O184 P32 -","4","1","","Hiscock, Jennifer R.; Gale, Philip A.; Lalaoui, Noémie; Light, Mark E.; Wells, Neil J.","Benzimidazole-based anion receptors exhibiting selectivity for lactate over pyruvate.","Organic & biomolecular chemistry","2012","10","38","7780","7788","10.1039/c2ob26299a","","","0.71075","MoKα","","0.1476","0.1207","","","0.313","0.3509","","","","","","1.257","","","","has coordinates,has disorder","180312","2020-10-21","18:00:00",""
"7152678","8.515","0.005","19.245","0.01","21.792","0.012","72.207","0.019","83.15","0.03","80.58","0.02","3345","3","100","2","100","2","","","","","","","Jenny Hiscock","4","P 1","P 1","1","","","","- C71 H101 N9 O6 -","- C71 H101 N9 O6 -","- C142 H202 N18 O12 -","2","2","","Hiscock, Jennifer R.; Gale, Philip A.; Lalaoui, Noémie; Light, Mark E.; Wells, Neil J.","Benzimidazole-based anion receptors exhibiting selectivity for lactate over pyruvate.","Organic & biomolecular chemistry","2012","10","38","7780","7788","10.1039/c2ob26299a","","","0.71075","MoKα","","0.111","0.0951","","","0.1811","0.191","","","","","","1.164","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152679","21.771","0.011","8.336","0.004","21.888","0.011","90","","119.815","0.005","90","","3447","3","100","2","100","2","","","","","","","Jenny Hiscock","4","P 1 n 1","P -2yac","7","","","","- C72 H105 N9 O7 -","- C72 H105 N9 O7 -","- C144 H210 N18 O14 -","2","1","","Hiscock, Jennifer R.; Gale, Philip A.; Lalaoui, Noémie; Light, Mark E.; Wells, Neil J.","Benzimidazole-based anion receptors exhibiting selectivity for lactate over pyruvate.","Organic & biomolecular chemistry","2012","10","38","7780","7788","10.1039/c2ob26299a","","","0.71075","MoKα","","0.116","0.0956","","","0.1508","0.1706","","","","","","1.088","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152680","18.588","0.008","13.759","0.006","23.034","0.01","90","","96.793","0.006","90","","5850","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H93 N9 O6 S -","- C58 H93 N9 O6 S -","- C232 H372 N36 O24 S4 -","4","1","","Hiscock, Jennifer R.; Gale, Philip A.; Lalaoui, Noémie; Light, Mark E.; Wells, Neil J.","Benzimidazole-based anion receptors exhibiting selectivity for lactate over pyruvate.","Organic & biomolecular chemistry","2012","10","38","7780","7788","10.1039/c2ob26299a","","","0.71075","MoKα","","0.1849","0.1126","","","0.264","0.3135","","","","","","1.108","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152681","11.756","","14.575","","11.52","","90","","90","","90","","1973.88","","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H17 Br O5 -","- C22 H17 Br O5 -","- C88 H68 Br4 O20 -","4","1","","Wang, Ying; Yu, Zhi-Hua; Zheng, Hu-Fei; Shi, De-Qing","DABCO and Bu3P catalyzed [4 + 2] and [3 + 2] cycloadditions of 3-acyl-2H-chromen-ones and ethyl 2,3-butadienoate.","Organic & biomolecular chemistry","2012","10","38","7739","7746","10.1039/c2ob26300a","","","0.71073","MoKα","","0.092","0.0394","","","0.0809","0.0971","","","","","","0.986","","","","has coordinates,has disorder","180312","2020-10-21","18:00:00",""
"7152682","9.7129","0.0016","10.5113","0.0017","10.7041","0.0017","107.55","0.002","105.744","0.002","98.461","0.002","971.2","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H17 Cl O5 -","- C22 H17 Cl O5 -","- C44 H34 Cl2 O10 -","2","1","","Wang, Ying; Yu, Zhi-Hua; Zheng, Hu-Fei; Shi, De-Qing","DABCO and Bu3P catalyzed [4 + 2] and [3 + 2] cycloadditions of 3-acyl-2H-chromen-ones and ethyl 2,3-butadienoate.","Organic & biomolecular chemistry","2012","10","38","7739","7746","10.1039/c2ob26300a","","","0.71073","MoKα","","0.0618","0.0499","","","0.1514","0.1632","","","","","","1.086","","","","has coordinates,has disorder","180312","2020-10-21","18:00:00",""
"7152683","13.17","0.0007","12.2955","0.0005","20.5036","0.0009","90","","103.669","0.005","90","","3226.1","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H45 N5 O -","- C37 H45 N5 O -","- C148 H180 N20 O4 -","4","1","","Gotor, Raúl; Costero, Ana M.; Gil, Salvador; Parra, Margarita; Ochando, Luis E.; Chulvi, Katherine","Inversion of selectivity in anion recognition with conformationally blocked calix[4]pyrroles.","Organic & biomolecular chemistry","2012","10","42","8445","8451","10.1039/c2ob26309b","","","0.71073","MoKα","","0.1243","0.0603","","","0.1196","0.1513","","","","","","1.035","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152684","10.051","0.003","10.22","0.005","20.088","0.007","76.98","0.04","76.86","0.03","86.88","0.03","1957.8","1.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H54 N6 O2 -","- C46 H54 N6 O2 -","- C92 H108 N12 O4 -","2","1","","Gotor, Raúl; Costero, Ana M.; Gil, Salvador; Parra, Margarita; Ochando, Luis E.; Chulvi, Katherine","Inversion of selectivity in anion recognition with conformationally blocked calix[4]pyrroles.","Organic & biomolecular chemistry","2012","10","42","8445","8451","10.1039/c2ob26309b","","","0.71073","MoKα","","0.2362","0.1","","","0.1336","0.1997","","","","","","0.972","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152685","9.7636","0.0008","9.9508","0.0009","11.0156","0.0013","108.945","0.002","99.716","0.001","104.409","0.001","943.33","0.16","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H29 N4 O5.5 -","- C24 H22 N2 O -","- C48 H44 N4 O2 -","2","1","","Jiang, Bo; Wang, Xue; Li, Meng-Yuan; Wu, Qiong; Ye, Qin; Xu, Hai-Wei; Tu, Shu-Jiang","A domino synthetic strategy leading to two-carbon-tethered fused acridine/indole pairs and fused acridine derivatives.","Organic & biomolecular chemistry","2012","10","42","8533","8538","10.1039/c2ob26315g","","","0.71073","MoKα","","0.0832","0.0527","","","0.1306","0.1448","","","","","","1.056","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152686","9.8221","0.0009","10.078","0.001","11.4409","0.0012","109.877","0.002","103.016","0.001","102.588","0.001","982.6","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H19 Cl N2 O -","- C23 H19 Cl N2 O -","- C46 H38 Cl2 N4 O2 -","2","1","","Jiang, Bo; Wang, Xue; Li, Meng-Yuan; Wu, Qiong; Ye, Qin; Xu, Hai-Wei; Tu, Shu-Jiang","A domino synthetic strategy leading to two-carbon-tethered fused acridine/indole pairs and fused acridine derivatives.","Organic & biomolecular chemistry","2012","10","42","8533","8538","10.1039/c2ob26315g","","","0.71073","MoKα","","0.0908","0.0489","","","0.1012","0.1139","","","","","","1.041","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152687","11.7549","0.0006","13.7175","0.0009","20.1662","0.0013","84.294","0.003","75.25","0.004","89.894","0.004","3128.1","0.3","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H44 Cl N O2 Si -","- C33 H44 Cl N O2 Si -","- C132 H176 Cl4 N4 O8 Si4 -","4","2","","Hodges, Alastair J.; Adams, Joseph P.; Bond, Andrew D.; Holmes, Andrew B.; Press, Neil J.; Roughley, Stephen D.; Ryan, John H.; Saubern, Simon; Smith, Catherine J.; Turnbull, Michael D.; Newton, Annabella F.","Intramolecular nitrone dipolar cycloadditions: control of regioselectivity and synthesis of naturally-occurring spirocyclic alkaloids.","Organic & biomolecular chemistry","2012","10","45","8963","8974","10.1039/c2ob26333e","","","0.71073","MoKα","","0.1063","0.0729","","","0.1677","0.1828","","","","","","1.128","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152688","7.7031","0.0003","9.8991","0.0006","15.8805","0.0008","90","","98.831","0.003","90","","1196.59","0.11","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H41 N O2 Si -","- C24 H41 N O2 Si -","- C48 H82 N2 O4 Si2 -","2","1","","Hodges, Alastair J.; Adams, Joseph P.; Bond, Andrew D.; Holmes, Andrew B.; Press, Neil J.; Roughley, Stephen D.; Ryan, John H.; Saubern, Simon; Smith, Catherine J.; Turnbull, Michael D.; Newton, Annabella F.","Intramolecular nitrone dipolar cycloadditions: control of regioselectivity and synthesis of naturally-occurring spirocyclic alkaloids.","Organic & biomolecular chemistry","2012","10","45","8963","8974","10.1039/c2ob26333e","","","0.71073","MoKα","","0.0586","0.0439","","","0.1016","0.1107","","","","","","1.048","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152689","9.6609","0.0009","11.5354","0.0011","9.136","0.0005","90","","90","","90","","1018.14","0.15","180","2","180","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H16 N2 O -","- C11 H16 N2 O -","- C44 H64 N8 O4 -","4","1","","Hodges, Alastair J.; Adams, Joseph P.; Bond, Andrew D.; Holmes, Andrew B.; Press, Neil J.; Roughley, Stephen D.; Ryan, John H.; Saubern, Simon; Smith, Catherine J.; Turnbull, Michael D.; Newton, Annabella F.","Intramolecular nitrone dipolar cycloadditions: control of regioselectivity and synthesis of naturally-occurring spirocyclic alkaloids.","Organic & biomolecular chemistry","2012","10","45","8963","8974","10.1039/c2ob26333e","","","0.71073","MoKα","","0.0803","0.0401","","","0.0754","0.0878","","","","","","0.982","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152690","8.4675","0.0015","11.662","0.002","8.682","0.0016","90","","103.279","0.005","90","","834.4","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H24 N2 O2 -","- C19 H24 N2 O2 -","- C38 H48 N4 O4 -","2","1","","Hodges, Alastair J.; Adams, Joseph P.; Bond, Andrew D.; Holmes, Andrew B.; Press, Neil J.; Roughley, Stephen D.; Ryan, John H.; Saubern, Simon; Smith, Catherine J.; Turnbull, Michael D.; Newton, Annabella F.","Intramolecular nitrone dipolar cycloadditions: control of regioselectivity and synthesis of naturally-occurring spirocyclic alkaloids.","Organic & biomolecular chemistry","2012","10","45","8963","8974","10.1039/c2ob26333e","","","0.6885","synchrotron","","0.0745","0.0643","","","0.1524","0.1555","","","","","","0.999","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152691","5.7251","0.001","12.062","0.002","12.371","0.002","82.492","0.003","80.563","0.003","81.462","0.003","828.4","0.2","25","","25","","","","","","","","","4","P -1","-P 1","2","carboline","(3-benzyl-2-ethyl-7-methoxy-9H-pyrido[2,3-b]indole)","","- C21 H20 N2 O -","- C21 H20 N2 O -","- C42 H40 N4 O2 -","2","1","","Basavaiah, Deevi; Mallikarjuna Reddy, Daggula","Baylis-Hillman acetates in organic synthesis: convenient one-pot synthesis of α-carboline framework - a concise synthesis of neocryptolepine.","Organic & biomolecular chemistry","2012","10","44","8774","8777","10.1039/c2ob26339d","","","0.71073","MoKα","","0.0793","0.0601","","","0.1227","0.1314","","","","","","1.15","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152692","7.9981","0.0014","10.353","0.0018","16.174","0.003","90","","92.804","0.003","90","","1337.7","0.4","25","","25","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2-[2-Cyano-2-(2-nitrophenyl)]ethylcyclohex-2-en-1-one)","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","","Basavaiah, Deevi; Mallikarjuna Reddy, Daggula","Baylis-Hillman acetates in organic synthesis: convenient one-pot synthesis of α-carboline framework - a concise synthesis of neocryptolepine.","Organic & biomolecular chemistry","2012","10","44","8774","8777","10.1039/c2ob26339d","","","0.71073","MoKα","","0.0637","0.0585","","","0.1535","0.1589","","","","","","0.948","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152693","26.28","0.01","10.188","0.004","16.786","0.006","90","","124.377","0.007","90","","3709","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H21 N3 O2 S -","- C20 H21 N3 O2 S -","- C160 H168 N24 O16 S8 -","8","1","","Zhang, Zhe; Wang, Fang-Wu; Wang, Sheng-Qing; Ge, Fei; Zhao, Bao-Xiang; Miao, Jun-Ying","A highly sensitive fluorescent probe based on simple pyrazoline for Zn(2+) in living neuron cells.","Organic & biomolecular chemistry","2012","10","43","8640","8644","10.1039/c2ob26375k","","","0.71073","MoKα","","0.1492","0.0624","","","0.1474","0.1924","","","","","","0.989","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152694","14.8086","0.0016","8.8273","0.001","12.8851","0.0014","90","","108.871","0.002","90","","1593.8","0.3","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O3 -","- C19 H18 O3 -","- C76 H72 O12 -","4","1","","Zhang, Zhe; Wang, Fang-Wu; Wang, Sheng-Qing; Ge, Fei; Zhao, Bao-Xiang; Miao, Jun-Ying","A highly sensitive fluorescent probe based on simple pyrazoline for Zn(2+) in living neuron cells.","Organic & biomolecular chemistry","2012","10","43","8640","8644","10.1039/c2ob26375k","","","0.71073","MoKα","","0.0649","0.0459","","","0.1328","0.153","","","","","","0.959","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7152695","10.673","0.005","8.677","0.004","12.475","0.006","90","","90.403","0.007","90","","1155.3","0.9","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H20 Cl N3 O2 S -","- C27 H20 Cl N3 O2 S -","- C54 H40 Cl2 N6 O4 S2 -","2","1","","Jiang, Lingyong; Yu, Xingxin; Fang, Bing; Wu, Jie","Silver triflate-catalyzed tandem reaction of N'-(2-alkynylbenzylidene)hydrazide with pyridyne.","Organic & biomolecular chemistry","2012","10","40","8102","8107","10.1039/c2ob26379c","","","0.71073","MoKα","","0.0484","0.045","","","0.1308","0.1346","","","","","","0.914","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152696","7.271","0.0004","13.0197","0.0006","22.3322","0.0011","90","","90","","90","","2114.11","0.18","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 Cl F4 N -","- C22 H22 Cl F4 N -","- C88 H88 Cl4 F16 N4 -","4","1","","Chia, Poh Wai; Brennan, Sarah C.; Slawin, Alexandra M. Z.; Riccardi, Daniela; O'Hagan, David","Allosteric agonists of the calcium receptor (CaR): fluorine and SF5 analogues of cinacalcet.","Organic & biomolecular chemistry","2012","10","39","7922","7927","10.1039/c2ob26402a","","","1.54178","CuKα","","0.0726","0.0704","","","0.1892","0.1918","","","","","","1.039","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152697","20.206","0.004","8.8525","0.0016","22.032","0.004","90","","94.898","0.003","90","","3926.6","1.3","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","- C176 H176 N16 O48 -","8","2","","Yang, Hai-Bin; Shi, Min","Yb(NTf(2))(3)-catalyzed [3 + 3] cycloaddition between isatin ketonitrones and cyclopropanes to construct novel spiro[tetrahydro-1,2-oxazine]oxindoles.","Organic & biomolecular chemistry","2012","10","41","8236","8243","10.1039/c2ob26413g","","","0.71073","MoKα","","0.0864","0.0487","","","0.1397","0.1786","","","","","","1.095","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152698","8.7826","0.0018","9.574","0.002","13.717","0.003","89.306","0.004","81.155","0.004","83.165","0.004","1131.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 N2 O6 -","- C24 H24 N2 O6 -","- C48 H48 N4 O12 -","2","1","","Yang, Hai-Bin; Shi, Min","Yb(NTf(2))(3)-catalyzed [3 + 3] cycloaddition between isatin ketonitrones and cyclopropanes to construct novel spiro[tetrahydro-1,2-oxazine]oxindoles.","Organic & biomolecular chemistry","2012","10","41","8236","8243","10.1039/c2ob26413g","","","0.71073","MoKα","","0.0672","0.05","","","0.1324","0.1445","","","","","","1.032","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152699","10.122","0.006","10.799","0.006","20.017","0.011","90","","90","","90","","2188","2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Br N O8 -","- C20 H24 Br N O8 -","- C80 H96 Br4 N4 O32 -","4","1","","Wang, Yao; Luo, Yong-Chun; Zhang, Hong-Bo; Xu, Peng-Fei","Concise construction of the tetracyclic core of lycorine-type alkaloids and the formal synthesis of α-lycorane based on asymmetric bifunctional thiourea-catalyzed cascade reaction.","Organic & biomolecular chemistry","2012","10","41","8211","8215","10.1039/c2ob26422f","","","0.71073","MoKα","","0.1185","0.0546","","","0.1393","0.1905","","","","","","0.767","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152700","17.6423","0.0005","7.4224","0.0002","13.8157","0.0004","90","","109.299","0.0012","90","","1707.48","0.08","150","","150","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C80 H80 N8 O12 -","4","1","","Chandan, Nandkishor; Thompson, Amber L.; Moloney, Mark G.","Rapid synthesis of substituted pyrrolines and pyrrolidines by nucleophilic ring closure at activated oximes.","Organic & biomolecular chemistry","2012","10","39","7863","7868","10.1039/c2ob26423d","","","0.71073","MoKα","","0.0341","0.0329","","0.0804","0.0791","0.0804","","","","","","0.9999","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152701","11.5793","0.0002","9.778","0.0002","23.1685","0.0004","90","","101.922","0.0007","90","","2566.61","0.08","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H30 N2 O4 -","- C28 H30 N2 O4 -","- C112 H120 N8 O16 -","4","2","","Chandan, Nandkishor; Thompson, Amber L.; Moloney, Mark G.","Rapid synthesis of substituted pyrrolines and pyrrolidines by nucleophilic ring closure at activated oximes.","Organic & biomolecular chemistry","2012","10","39","7863","7868","10.1039/c2ob26423d","","","0.71073","MoKα","","0.0796","0.0625","","0.1736","0.1507","0.1735","","","","","","0.9698","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152702","26.1913","0.0002","7.9118","0.0001","23.6522","0.0003","90","","122.556","0.0005","90","","4131.06","0.08","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H13 N O4 -","- C10 H13 N O4 -","- C160 H208 N16 O64 -","16","2","","Chandan, Nandkishor; Thompson, Amber L.; Moloney, Mark G.","Rapid synthesis of substituted pyrrolines and pyrrolidines by nucleophilic ring closure at activated oximes.","Organic & biomolecular chemistry","2012","10","39","7863","7868","10.1039/c2ob26423d","","","0.71073","MoKα","","0.0587","0.0446","","0.1314","0.1106","0.1314","","","","","","0.9355","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152703","7.7576","0.0003","6.007","0.0002","14.7572","0.0006","90","","93.71","0.002","90","","686.24","0.04","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C18 H12 N2 O -","- C18 H12 N2 O -","- C36 H24 N4 O2 -","2","1","","Bentabed-Ababsa, Ghenia; Hamza-Reguig, Samira; Derdour, Aïcha; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Dorcet, Vincent; Nassar, Ekhlass; Mongin, Florence","Experimental and theoretical study of the [3 + 2] cycloaddition of carbonyl ylides with alkynes.","Organic & biomolecular chemistry","2012","10","42","8434","8444","10.1039/c2ob26442k","","x-ray","0.71073","MoKα","","0.0295","0.0275","","","0.067","0.0687","","","","","","1.089","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152704","11.0917","0.0005","17.5158","0.0006","16.208","0.0006","90","","109.615","0.002","90","","2966.2","0.2","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H11 Cl N2 O -","- C18 H11 Cl N2 O -","- C144 H88 Cl8 N16 O8 -","8","2","","Bentabed-Ababsa, Ghenia; Hamza-Reguig, Samira; Derdour, Aïcha; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Dorcet, Vincent; Nassar, Ekhlass; Mongin, Florence","Experimental and theoretical study of the [3 + 2] cycloaddition of carbonyl ylides with alkynes.","Organic & biomolecular chemistry","2012","10","42","8434","8444","10.1039/c2ob26442k","","x-ray","0.71073","MoKα","","0.0503","0.0449","","","0.131","0.1369","","","","","","1.068","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152705","7.446","0.004","7.67","0.003","16.378","0.01","96.97","0.04","102.06","0.02","118.99","0.02","772.5","0.7","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C19 H14 N2 O2 -","- C19 H14 N2 O2 -","- C38 H28 N4 O4 -","2","1","","Bentabed-Ababsa, Ghenia; Hamza-Reguig, Samira; Derdour, Aïcha; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Dorcet, Vincent; Nassar, Ekhlass; Mongin, Florence","Experimental and theoretical study of the [3 + 2] cycloaddition of carbonyl ylides with alkynes.","Organic & biomolecular chemistry","2012","10","42","8434","8444","10.1039/c2ob26442k","","x-ray","0.71073","MoKα","","0.102","0.0897","","","0.2758","0.292","","","","","","1.173","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152706","6.355","","8.01","","24.798","","90","","90","","90","","1262.31","","200","2","200","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 N2 O3 -","- C14 H10 N2 O3 -","- C56 H40 N8 O12 -","4","1","","Bentabed-Ababsa, Ghenia; Hamza-Reguig, Samira; Derdour, Aïcha; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Dorcet, Vincent; Nassar, Ekhlass; Mongin, Florence","Experimental and theoretical study of the [3 + 2] cycloaddition of carbonyl ylides with alkynes.","Organic & biomolecular chemistry","2012","10","42","8434","8444","10.1039/c2ob26442k","","x-ray","0.71073","MoKα","","0.0546","0.0391","","","0.0921","0.103","","","","","","0.946","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152707","11.0681","0.0003","9.2126","0.0003","13.3847","0.0003","90","","90.01","0.001","90","","1364.78","0.07","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Cl N2 O3 -","- C14 H9 Cl N2 O3 -","- C56 H36 Cl4 N8 O12 -","4","1","","Bentabed-Ababsa, Ghenia; Hamza-Reguig, Samira; Derdour, Aïcha; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Dorcet, Vincent; Nassar, Ekhlass; Mongin, Florence","Experimental and theoretical study of the [3 + 2] cycloaddition of carbonyl ylides with alkynes.","Organic & biomolecular chemistry","2012","10","42","8434","8444","10.1039/c2ob26442k","","x-ray","0.71073","MoKα","","0.0511","0.0372","","","0.0906","0.098","","","","","","1.058","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152708","8.5077","0.0004","9.6154","0.0005","9.324","0.0004","90","","116.932","0.007","90","","680.03","0.07","200","2","200","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C15 H12 N2 O3 -","- C15 H12 N2 O3 -","- C30 H24 N4 O6 -","2","1","","Bentabed-Ababsa, Ghenia; Hamza-Reguig, Samira; Derdour, Aïcha; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Dorcet, Vincent; Nassar, Ekhlass; Mongin, Florence","Experimental and theoretical study of the [3 + 2] cycloaddition of carbonyl ylides with alkynes.","Organic & biomolecular chemistry","2012","10","42","8434","8444","10.1039/c2ob26442k","","x-ray","0.71073","MoKα","","0.0411","0.0346","","","0.0784","0.0832","","","","","","1.085","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152709","6.545","","10.072","","11.676","","107.83","","101.23","","92.8","","713.831","","200","2","200","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C15 H11 Cl N2 O3 -","- C15 H11 Cl N2 O3 -","- C30 H22 Cl2 N4 O6 -","2","1","","Bentabed-Ababsa, Ghenia; Hamza-Reguig, Samira; Derdour, Aïcha; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Dorcet, Vincent; Nassar, Ekhlass; Mongin, Florence","Experimental and theoretical study of the [3 + 2] cycloaddition of carbonyl ylides with alkynes.","Organic & biomolecular chemistry","2012","10","42","8434","8444","10.1039/c2ob26442k","","x-ray","0.71073","MoKα","","0.0973","0.047","","","0.0972","0.1211","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152710","8.6482","0.0003","9.8196","0.0004","11.8305","0.0005","76.306","0.002","82.629","0.002","65.289","0.002","886.24","0.06","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 N O2 S -","- C20 H21 N O2 S -","- C40 H42 N2 O4 S2 -","2","1","","Huang, Chuhui; Kothandaraman, Prasath; Koh, Bing Qin; Chan, Philip Wai Hong","Study of substrate dependence on the chemoselectivity of the gold-catalysed cycloisomerisation of aryl substituted 1,7-enynes.","Organic & biomolecular chemistry","2012","10","45","9067","9078","10.1039/c2ob26458g","","","0.71073","MoKα","","0.0534","0.0418","","","0.1051","0.1154","","","","","","1.045","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152711","28.8723","0.0011","8.1821","0.0003","17.9935","0.0007","90","","124.445","0.001","90","","3505.4","0.2","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 F N O2 S -","- C20 H20 F N O2 S -","- C160 H160 F8 N8 O16 S8 -","8","1","","Huang, Chuhui; Kothandaraman, Prasath; Koh, Bing Qin; Chan, Philip Wai Hong","Study of substrate dependence on the chemoselectivity of the gold-catalysed cycloisomerisation of aryl substituted 1,7-enynes.","Organic & biomolecular chemistry","2012","10","45","9067","9078","10.1039/c2ob26458g","","","0.71073","MoKα","","0.0618","0.0434","","","0.1219","0.1434","","","","","","1.113","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152712","8.154","0.0003","11.686","0.0005","22.9788","0.001","90","","94.734","0.003","90","","2182.13","0.16","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N O2 S -","- C26 H25 N O2 S -","- C104 H100 N4 O8 S4 -","4","1","","Huang, Chuhui; Kothandaraman, Prasath; Koh, Bing Qin; Chan, Philip Wai Hong","Study of substrate dependence on the chemoselectivity of the gold-catalysed cycloisomerisation of aryl substituted 1,7-enynes.","Organic & biomolecular chemistry","2012","10","45","9067","9078","10.1039/c2ob26458g","","","0.71073","MoKα","","0.0651","0.046","","","0.1144","0.1288","","","","","","1.023","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152713","14.6259","0.0002","8.4133","0.0002","18.8218","0.0003","90","","94.804","0.001","90","","2307.93","0.07","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 Br2 N O2 S -","- C26 H23 Br2 N O2 S -","- C104 H92 Br8 N4 O8 S4 -","4","1","","Huang, Chuhui; Kothandaraman, Prasath; Koh, Bing Qin; Chan, Philip Wai Hong","Study of substrate dependence on the chemoselectivity of the gold-catalysed cycloisomerisation of aryl substituted 1,7-enynes.","Organic & biomolecular chemistry","2012","10","45","9067","9078","10.1039/c2ob26458g","","","0.71073","MoKα","","0.0614","0.035","","","0.0832","0.101","","","","","","1.047","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152714","8.2735","0.0003","9.7455","0.0004","9.7543","0.0004","90","","90","","90","","786.48","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H14 Cl N O -","- C6 H14 Cl N O -","- C24 H56 Cl4 N4 O4 -","4","1","","Wang, Qi-Qiang; Begum, Rowshan Ara; Day, Victor W.; Bowman-James, Kristin","Sulfur, oxygen, and nitrogen mustards: stability and reactivity.","Organic & biomolecular chemistry","2012","10","44","8786","8793","","","","1.54178","CuKα","","0.0154","0.0154","","","0.0418","0.0418","","","","","","1.154","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152715","21.0466","0.0007","5.8427","0.0002","12.7574","0.0004","90","","104.37","0.001","90","","1519.68","0.09","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H28 Cl2 N2 O2 -","- C10 H28 Cl2 N2 O2 -","- C40 H112 Cl8 N8 O8 -","4","1","","Wang, Qi-Qiang; Begum, Rowshan Ara; Day, Victor W.; Bowman-James, Kristin","Sulfur, oxygen, and nitrogen mustards: stability and reactivity.","Organic & biomolecular chemistry","2012","10","44","8786","8793","10.1039/c2ob26482j","","","1.54178","CuKα","","0.024","0.0239","","","0.0585","0.0586","","","","","","1.096","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152716","13.4626","0.0007","14.6803","0.0008","15.9634","0.0007","94.288","0.004","98.319","0.004","115.215","0.005","2791.3","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C67 H68 N2 -","- C67 H68 N2 -","- C134 H136 N4 -","2","1","","Li, Jichao; Hu, Binbin; Hu, Gongfang; Li, Xihui; Lu, Ping; Wang, Yanguang","An efficient synthesis of heptaaryldipyrromethenes from tetraarylcyclopentadienones and ammonium acetate and their extension to the corresponding BODIPYs.","Organic & biomolecular chemistry","2012","10","44","8848","8859","10.1039/c2ob26509e","","","0.71073","MoKα","","0.1353","0.0603","","","0.1286","0.1629","","","","","","0.953","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152717","8.5856","0.0003","13.3808","0.001","13.8389","0.0009","66.612","0.007","77.281","0.004","77.711","0.005","1409.37","0.17","298","1","298","1","","","","","","","","4","P -1","-P 1","2","","2-{(E)-5-[(E)-3-{4-(Diethylamino)phenyl}-1-{4-(dimethylamino)phenyl}allylidene]-4-phenylthiazol-2-ylidene}malononitrile","","- C33 H31 N5 S -","- C33 H31 N5 S -","- C66 H62 N10 S2 -","2","1","","Galán, Elena; Andreu, Raquel; Garín, Javier; Orduna, Jesús; Villacampa, Belén; Diosdado, Beatriz E.","Cycloaddition reactions of polyenic donor-π-acceptor systems with an electron-rich alkyne: access to new chromophores with second-order optical nonlinearities.","Organic & biomolecular chemistry","2012","10","43","8684","8691","10.1039/c2ob26515j","","","0.71073","MoKα","","0.1598","0.0419","","","0.0365","0.0424","","","","","","0.805","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152718","9.8471","0.0005","28.4321","0.0015","11.7509","0.0008","90","","106.763","0.006","90","","3150.1","0.3","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3E,5Z)-7-(2,6-Di-tert-butyl-4H-pyran-4-ylidene)-6-(4-(dimethylamino)phenyl)2-phenylhepta-1,3,5-triene-1,1,3-tricarbonitrile","","- C37 H38 N4 O -","- C37 H38 N4 O -","- C148 H152 N16 O4 -","4","1","","Galán, Elena; Andreu, Raquel; Garín, Javier; Orduna, Jesús; Villacampa, Belén; Diosdado, Beatriz E.","Cycloaddition reactions of polyenic donor-π-acceptor systems with an electron-rich alkyne: access to new chromophores with second-order optical nonlinearities.","Organic & biomolecular chemistry","2012","10","43","8684","8691","10.1039/c2ob26515j","","","0.71073","MoKα","","0.169","0.0685","","","0.0916","0.1209","","","","","","0.984","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152719","5.9702","0.0005","12.9502","0.0014","20.426","0.002","104.108","0.009","92.797","0.008","95.045","0.008","1521.6","0.3","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","4-Dimethylamino-[1,1': 3',1''-terphenyl]-2',4'-dicarbonitrile-5'-[2, 6-di-tert-butyl-4H-pyran-4-ylidene]","","- C36 H37 N3 O -","- C36 H37 N3 O -","- C72 H74 N6 O2 -","2","1","","Galán, Elena; Andreu, Raquel; Garín, Javier; Orduna, Jesús; Villacampa, Belén; Diosdado, Beatriz E.","Cycloaddition reactions of polyenic donor-π-acceptor systems with an electron-rich alkyne: access to new chromophores with second-order optical nonlinearities.","Organic & biomolecular chemistry","2012","10","43","8684","8691","10.1039/c2ob26515j","","","0.71073","MoKα","","0.2233","0.0804","","","0.0971","0.1405","","","","","","0.968","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152720","8.3769","0.0009","12.9848","0.0013","13.7325","0.0014","90","","90.834","0.001","90","","1493.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 N3 O S -","- C14 H17 N3 O S -","- C56 H68 N12 O4 S4 -","4","1","","Zhao, Yingwei; Lei, Min; Yang, Lei; Han, Feng; Li, Zhen; Xia, Chungu","Oxygen-sulfur rearrangement in the reaction of thiocarbamate imidazolium ylide with arylaldehyde.","Organic & biomolecular chemistry","2012","10","45","8956","8959","10.1039/c2ob26520f","","","0.71073","MoKα","","0.0416","0.0369","","","0.1288","0.136","","","","","","1.052","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152721","9.7754","0.0007","17.6008","0.0015","9.5625","0.0007","90","","113.841","0.004","90","","1504.9","0.2","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","RAUL004","","","- C18 H19 N O -","- C18 H19 N O -","- C72 H76 N4 O4 -","4","1","","Pérez-Ruiz, Raúl; Sáez, Jose A; Domingo, Luis R.; Jiménez, M Consuelo; Miranda, Miguel A.","Ring splitting of azetidin-2-ones via radical anions.","Organic & biomolecular chemistry","2012","10","39","7928","7932","10.1039/c2ob26528a","","x-ray","0.71073","MoKα","","0.0863","0.0476","","","0.0997","0.1153","","","","","","1.025","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152723","9.271","0.007","9.707","0.007","20.928","0.014","90.57","0.011","97.203","0.005","114.198","0.013","1700","2","93.15","","93","2","","","","","","","","3","P -1","-P 1","2","1,4-bis(4'-acetyl-(1,1'-biphenyl)-4-yl)buta-1,3-diyne","1,4-bis(4'-acetyl-[1,1'-biphenyl]-4-yl)buta-1,3-diyne","","- C32 H22 O2 -","- C32 H22 O2 -","- C96 H66 O6 -","3","1.5","","Mitsudo, Koichi; Kamimoto, Natsuyo; Murakami, Hiroki; Mandai, Hiroki; Wakamiya, Atsushi; Murata, Yasujiro; Suga, Seiji","Site-selective sequential coupling reactions controlled by ""Electrochemical Reaction Site Switching"": a straightforward approach to 1,4-bis(diaryl)buta-1,3-diynes.","Organic & biomolecular chemistry","2012","10","48","9562","9569","10.1039/c2ob26567b","","","0.71075","MoKα","","0.1239","0.0581","","","0.1153","0.1405","","","","","","0.912","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152724","24.8142","0.001","8.6804","0.0003","18.1721","0.0007","90","","99.492","0.001","90","","3860.6","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 N2 O3 -","- C24 H20 N2 O3 -","- C192 H160 N16 O24 -","8","1","","Li, Ming; Zan, Li; Prajapati, Dipak; Hu, Wenhao","Rhodium(ii) catalyzed diastereoselective reactions of diazoacetamides with isatins: an efficient approach to 3-hydroxy-3,3'-bioxindoles.","Organic & biomolecular chemistry","2012","10","44","8808","8813","10.1039/c2ob26580j","","","0.71073","MoKα","","0.0708","0.0421","","","0.0986","0.1172","","","","","","1.016","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152725","18.235","0.003","8.195","0.0009","18.783","0.003","90","","111.007","0.018","90","","2620.3","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H14 Br N O2 -","- C13 H14 Br N O2 -","- C104 H112 Br8 N8 O16 -","8","1","","Zhang, Juan; Wei, Ying; Lin, Shaoxia; Liang, Fushun; Liu, Pengjun","Copper-catalyzed aerobic oxidative synthesis of α-ketoamides from methyl ketones, amines and NIS at room temperature.","Organic & biomolecular chemistry","2012","10","46","9237","9242","10.1039/c2ob26586a","","","0.71069","MoKα","","0.1304","0.0665","","","0.1288","0.1577","","","","","","1.081","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152726","16.201","0.008","14.693","0.007","31.511","0.015","90","","100.528","0.007","90","","7375","6","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C70 H117 N12 O14 P -","- C70 H117 N12 O14 P -","- C280 H468 N48 O56 P4 -","4","2","","Wei, Meiying; Wu, Biao; Zhao, Lei; Zhang, Hui; Li, Shaoguang; Zhao, Yanxia; Yang, Xiao-Juan","A bis-bisurea receptor with the R,R-cyclohexane-1,2-diamino spacer for phosphate and sulfate ions.","Organic & biomolecular chemistry","2012","10","44","8758","8761","10.1039/c2ob26591e","","","0.71073","MoKα","","0.1207","0.0711","","","0.1651","0.1972","","","","","","1.039","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152727","12.821","0.003","16.131","0.004","19.3","0.004","77.453","0.002","77.365","0.003","87.544","0.003","3801.8","1.5","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C67 H109 N12 O12.5 S1.5 -","- C67 H108.5 N12 O12.5 S1.5 -","- C134 H217 N24 O25 S3 -","2","2","","Wei, Meiying; Wu, Biao; Zhao, Lei; Zhang, Hui; Li, Shaoguang; Zhao, Yanxia; Yang, Xiao-Juan","A bis-bisurea receptor with the R,R-cyclohexane-1,2-diamino spacer for phosphate and sulfate ions.","Organic & biomolecular chemistry","2012","10","44","8758","8761","10.1039/c2ob26591e","","","0.71073","MoKα","","0.1023","0.0786","","","0.2172","0.2394","","","","","","1.054","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152728","7.1862","0.0007","11.0958","0.0013","11.8947","0.0011","90","","104.528","0.01","90","","918.12","0.17","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","6A","","","- C18 H26 O9 -","- C18 H26 O9 -","- C36 H52 O18 -","2","1","","Pandey, Ganesh; Adate, Priyanka A.; Puranik, Vedavati G.","Organocatalytic dynamic kinetic resolution via conjugate addition: synthesis of chiral trans-2,5-dialkylcyclohexanones.","Organic & biomolecular chemistry","2012","10","41","8260","8267","10.1039/c2ob26597d","","","1.54184","CuKα","","0.0412","0.0409","","","0.1125","0.1131","","","","","","1.059","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152729","14.26","0.0002","26.14","0.0004","16.822","0.0002","90","","101.476","0.001","90","","6145.15","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H52 Cl8 N12 Zn4 -","- C60 H52 Cl8 N12 Zn4 -","- C240 H208 Cl32 N48 Zn16 -","4","1","","Ciupa, Alexander; Mahon, Mary F.; De Bank, Paul A.; Caggiano, Lorenzo","Simple pyrazoline and pyrazole ""turn on"" fluorescent sensors selective for Cd(2+) and Zn(2+) in MeCN.","Organic & biomolecular chemistry","2012","10","44","8753","8757","10.1039/c2ob26608c","","","0.71073","MoKα","","0.0782","0.0452","","","0.1015","0.1156","","","","","","1.031","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152730","14.26","0.0002","26.14","0.0004","16.822","0.0002","90","","101.476","0.001","90","","6145.15","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H52 Cl8 N12 Zn4 -","- C60 H52 Cl8 N12 Zn4 -","- C240 H208 Cl32 N48 Zn16 -","4","1","","Guerra, Arcadio; Brea, Roberto J.; Amorín, Manuel; Castedo, Luis; Granja, Juan R.","Self-assembling properties of all γ-cyclic peptides containing sugar amino acid residues.","Organic & biomolecular chemistry","2012","10","44","8762","8766","10.1039/c2ob26612a","","","0.71073","MoKα","","0.0782","0.0452","","","0.1015","0.1156","","","","","","1.031","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152731","9.7301","0.0009","19.154","0.0019","18.7347","0.0018","90","","90.915","0.002","90","","3491.1","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C152 H184 N8 O32 -","8","4","","Balan, Dan; Burns, Christopher J.; Fisk, Nicholas G.; Hügel, Helmut; Huang, David C. S.; Segal, David; White, Charlotte; Wagler, Jörg; Rizzacasa, Mark A.","Synthesis and biological evaluation of a potent salicylihalamide A lactam analogue.","Organic & biomolecular chemistry","2012","10","40","8147","8153","10.1039/c2ob26649k","","","0.71073","MoKα","","0.0574","0.0436","","","0.1072","0.1145","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152732","17.1331","0.0003","5.0892","0.0001","17.6727","0.0003","90","","118.234","0.001","90","","1357.61","0.04","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H37 N O5 -","- C29 H37 N O5 -","- C58 H74 N2 O10 -","2","1","","Balan, Dan; Burns, Christopher J.; Fisk, Nicholas G.; Hügel, Helmut; Huang, David C. S.; Segal, David; White, Charlotte; Wagler, Jörg; Rizzacasa, Mark A.","Synthesis and biological evaluation of a potent salicylihalamide A lactam analogue.","Organic & biomolecular chemistry","2012","10","40","8147","8153","10.1039/c2ob26649k","","","1.54178","CuKα","","0.0452","0.0429","","","0.1184","0.1217","","","","","","1.038","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7152733","17.0527","0.0007","17.0527","0.0007","8.4671","0.0007","90","","90","","90","","2462.2","0.2","110","2","110","2","","","","","","","","4","P 43","P 4cw","78","","","","- C26 H31 N2 O6 -","- C26 H31 N2 O6 -","- C104 H124 N8 O24 -","4","1","","Talele, Harish R.; Bedekar, Ashutosh V.","Synthesis of chiral bis-oxazines: a preliminary assessment of helical conformational framework.","Organic & biomolecular chemistry","2012","10","43","8579","8582","10.1039/c2ob26669e","","","0.71073","MoKα","","0.0751","0.0669","","","0.1597","0.165","","","","","","1.081","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152734","8.3206","0.0004","8.3369","0.0004","25.7561","0.0014","93.355","0.001","95.323","0.001","93.682","0.001","1771.53","0.15","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C19 H24 Cl N O2 -","- C19 H24 Cl N O2 -","- C76 H96 Cl4 N4 O8 -","4","4","","Narcis, Maurice J.; Sprague, Daniel J.; Captain, Burjor; Takenaka, Norito","Enantio- and periselective nitroalkene Diels-Alder reaction.","Organic & biomolecular chemistry","2012","10","46","9134","9136","10.1039/c2ob26674a","","","0.71073","MoKα","","0.0552","0.0453","","","0.0873","0.0925","","","","","","1.036","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152735","8.3213","0.0004","8.3312","0.0004","25.7701","0.0013","93.369","0.001","95.301","0.001","93.703","0.001","1771.42","0.15","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C19 H24 Cl N O2 -","- C19 H24 Cl N O2 -","- C76 H96 Cl4 N4 O8 -","4","4","","Narcis, Maurice J.; Sprague, Daniel J.; Captain, Burjor; Takenaka, Norito","Enantio- and periselective nitroalkene Diels-Alder reaction.","Organic & biomolecular chemistry","2012","10","46","9134","9136","10.1039/c2ob26674a","","","0.71073","MoKα","","0.0611","0.0446","","","0.0827","0.0901","","","","","","1.023","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152736","10.8478","0.0012","11.5786","0.0013","17.841","0.002","80.352","0.002","80.707","0.002","76.854","0.002","2133.4","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 N O5 S -","- C21 H23 N O5 S -","- C84 H92 N4 O20 S4 -","4","2","","Cao, Jian; Kong, Yulong; Deng, Yuan; Lai, Guoqiao; Cui, Yuming; Hu, Ziqiang; Wang, Guanhai","Synthesis of allenamides by Pd-catalyzed coupling of 3-alkoxycarbonyloxy ynamides or 1-alkoxycarbonyloxy allenamides with arylboronic acids.","Organic & biomolecular chemistry","2012","10","48","9556","9561","10.1039/c2ob26727f","","","0.71073","MoKα","","0.1179","0.051","","","0.1459","0.1939","","","","","","1.003","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152737","10.1299","0.0006","15.3763","0.0009","15.953","0.0009","61.791","0.001","76.535","0.001","86.754","0.001","2125.4","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 N O3.5 S -","- C24 H23 N O3.5 S -","- C96 H92 N4 O14 S4 -","4","2","","Cao, Jian; Kong, Yulong; Deng, Yuan; Lai, Guoqiao; Cui, Yuming; Hu, Ziqiang; Wang, Guanhai","Synthesis of allenamides by Pd-catalyzed coupling of 3-alkoxycarbonyloxy ynamides or 1-alkoxycarbonyloxy allenamides with arylboronic acids.","Organic & biomolecular chemistry","2012","10","48","9556","9561","10.1039/c2ob26727f","","","0.71073","MoKα","","0.062","0.0481","","","0.1476","0.1682","","","","","","1.046","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152738","16.077","0.002","17.39","0.003","21.894","0.003","90","","109.049","0.002","90","","5785.9","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H38 Br2 N18 O20.25 -","- C38 H38 Br2.01 N18 O20.25 -","- C152 H152 Br8.04 N72 O81 -","4","1","","Maddipatla, Murthy V. S. N.; Pattabiraman, Mahesh; Natarajan, Arunkumar; Srivastav, Karan; Mague, Joel T.; Ramamurthy, V.","Regioselective photodimerization of pyridyl-butadienes within cucurbit[8]uril cavities.","Organic & biomolecular chemistry","2012","10","46","9219","9222","10.1039/c2ob26743h","","","0.71073","MoKα","","0.1448","0.1181","","","0.3057","0.3167","","","","","","2.421","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152739","8.6509","0.0007","9.6346","0.0004","10.4549","0.0004","112.631","0.002","100.874","0.003","95.813","0.003","775.19","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C40 H28 N4 O2 -","2","1","","Wang, Chiou-Dong; Liu, Rai-Shung","Silver-catalyzed [3+2]-cycloaddition of benzynes with diazocarbonyl species via a postulated (1H-indazol-1-yl)silver intermediate.","Organic & biomolecular chemistry","2012","10","45","8948","8952","10.1039/c2ob26760h","","","0.71073","MoKα","","0.0895","0.0458","","","0.1283","0.1852","","","","","","1.11","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152740","11.3188","0.0014","7.8255","0.001","11.8409","0.0015","90","","107.775","0.0018","90","","998.7","0.2","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 O2 -","- C11 H16 O2 -","- C44 H64 O8 -","4","1","","Standen, Patricia E.; Dodia, Dharati; Elsegood, Mark R. J.; Teat, Simon J.; Kimber, Marc C.","The stereochemical outcome of allyl magnesium and indium additions to 5-substituted norbornen-7-ones and its application to cis fused carbocycle formation via ring rearrangement metathesis.","Organic & biomolecular chemistry","2012","10","43","8669","8676","10.1039/c2ob26784e","","","0.7749","synchrotron","","0.0441","0.0391","","","0.1093","0.1141","","","","","","1.045","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152741","6.4701","0.0006","10.1349","0.001","14.1595","0.0013","93.806","0.006","91.027","0.006","105.958","0.006","890.11","0.15","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C9 H12 O4 -","- C9 H12 O4 -","- C36 H48 O16 -","4","2","","Fraser, Calum J.; Howell, Gareth P.; Harrity, Joseph P. A.","A furan Diels-Alder cycloaddition approach to scyphostatin analogues.","Organic & biomolecular chemistry","2012","10","45","9058","9066","10.1039/c2ob26793d","","","0.71073","MoKα","","0.0543","0.0443","","","0.1163","0.124","","","","","","0.943","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152742","7.3493","0.0012","9.3408","0.0015","25.042","0.004","73.729","0.006","88.572","0.006","86.474","0.006","1647.1","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H26 O4 Si -","- C15 H26 O4 Si -","- C60 H104 O16 Si4 -","4","2","","Fraser, Calum J.; Howell, Gareth P.; Harrity, Joseph P. A.","A furan Diels-Alder cycloaddition approach to scyphostatin analogues.","Organic & biomolecular chemistry","2012","10","45","9058","9066","10.1039/c2ob26793d","","","0.71073","MoKα","","0.1199","0.0727","","","0.1868","0.2182","","","","","","1.074","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152743","7.5774","0.0018","7.5917","0.0014","16.577","0.004","77.041","0.013","88.566","0.019","85.931","0.013","926.9","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H11 Cl O3 -","- C9 H11 Cl O3 -","- C36 H44 Cl4 O12 -","4","2","","Fraser, Calum J.; Howell, Gareth P.; Harrity, Joseph P. A.","A furan Diels-Alder cycloaddition approach to scyphostatin analogues.","Organic & biomolecular chemistry","2012","10","45","9058","9066","10.1039/c2ob26793d","","","0.71073","MoKα","","0.193","0.1434","","","0.356","0.3872","","","","","","1.094","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152744","11.1742","0.0003","12.7465","0.0003","12.9261","0.0003","77.034","0.001","65.985","0.001","82.498","0.001","1637.25","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N O8 S -","- C15 H15 N O8 S -","- C60 H60 N4 O32 S4 -","4","2","","Fraser, Calum J.; Howell, Gareth P.; Harrity, Joseph P. A.","A furan Diels-Alder cycloaddition approach to scyphostatin analogues.","Organic & biomolecular chemistry","2012","10","45","9058","9066","10.1039/c2ob26793d","","","0.71073","MoKα","","0.0819","0.0479","","","0.121","0.1436","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152745","6.3446","0.0001","16.7461","0.0002","19.6159","0.0002","90","","90","","90","","2084.14","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 F3 N2 O5 -","- C20 H25 F3 N2 O5 -","- C80 H100 F12 N8 O20 -","4","1","","Erdbrink, Holger; Peuser, Ilona; Gerling, Ulla I. M.; Lentz, Dieter; Koksch, Beate; Czekelius, Constantin","Conjugate hydrotrifluoromethylation of α,β-unsaturated acyl-oxazolidinones: synthesis of chiral fluorinated amino acids.","Organic & biomolecular chemistry","2012","10","43","8583","8586","10.1039/c2ob26810h","","","1.54184","CuKα","","0.0303","0.0295","","","0.0751","0.0758","","","","","","1.059","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152746","6.3032","0.0014","17.505","0.004","19.677","0.004","90","","90","","90","","2171.1","0.8","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 F3 N2 O5 -","- C21 H27 F3 N2 O5 -","- C84 H108 F12 N8 O20 -","4","1","","Erdbrink, Holger; Peuser, Ilona; Gerling, Ulla I. M.; Lentz, Dieter; Koksch, Beate; Czekelius, Constantin","Conjugate hydrotrifluoromethylation of α,β-unsaturated acyl-oxazolidinones: synthesis of chiral fluorinated amino acids.","Organic & biomolecular chemistry","2012","10","43","8583","8586","10.1039/c2ob26810h","","","0.71073","MoKα","","0.0384","0.0346","","","0.0859","0.0886","","","","","","1.063","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152747","5.409","0.002","11.831","0.005","22.811","0.01","90","","90","","90","","1459.8","1","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 F3 N O3 -","- C15 H16 F3 N O3 -","- C60 H64 F12 N4 O12 -","4","1","","Erdbrink, Holger; Peuser, Ilona; Gerling, Ulla I. M.; Lentz, Dieter; Koksch, Beate; Czekelius, Constantin","Conjugate hydrotrifluoromethylation of α,β-unsaturated acyl-oxazolidinones: synthesis of chiral fluorinated amino acids.","Organic & biomolecular chemistry","2012","10","43","8583","8586","10.1039/c2ob26810h","","","0.71073","MoKα","","0.0723","0.0472","","","0.1143","0.1266","","","","","","1.121","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152748","10.609","0.0003","15.8952","0.0004","16.3523","0.0004","93.865","0.001","100.226","0.001","90.915","0.001","2706.45","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H33 Cl2 N O6 -","- C26 H33 Cl1.98 N O6 -","- C104 H132 Cl7.92 N4 O24 -","4","2","","Hempel, Christian; Weckenmann, Nicole M.; Maichle-Moessmer, C; Nachtsheim, Boris J.","A hypervalent iodine-mediated spirocyclization of 2-(4-hydroxybenzamido)acrylates - unexpected formation of δ-spirolactones.","Organic & biomolecular chemistry","2012","10","47","9325","9329","10.1039/c2ob26815a","","","1.54178","CuKα","","0.0562","0.0511","","","0.1364","0.1407","","","","","","1.052","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152749","20.8667","0.0004","5.2047","0.0001","26.1797","0.0005","90","","90","","90","","2843.24","0.09","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C136 H104 N8 O32 -","8","2","","Hempel, Christian; Weckenmann, Nicole M.; Maichle-Moessmer, C; Nachtsheim, Boris J.","A hypervalent iodine-mediated spirocyclization of 2-(4-hydroxybenzamido)acrylates - unexpected formation of δ-spirolactones.","Organic & biomolecular chemistry","2012","10","47","9325","9329","10.1039/c2ob26815a","","","1.54178","CuKα","","0.0333","0.0317","","","0.0811","0.0823","","","","","","1.055","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152750","10.221","0.007","13.132","0.008","12.143","0.008","90","","106.09","0.018","90","","1566","1.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Cl N O -","- C16 H22 Cl N O -","- C64 H88 Cl4 N4 O4 -","4","1","","Reen, F. Jerry; Clarke, Sarah L.; Legendre, Claire; McSweeney, Christina M.; Eccles, Kevin S.; Lawrence, Simon E.; O'Gara, Fergal; McGlacken, Gerard P.","Structure-function analysis of the C-3 position in analogues of microbial behavioural modulators HHQ and PQS.","Organic & biomolecular chemistry","2012","10","44","8903","8910","10.1039/c2ob26823j","","","0.71073","MoKα","","0.1238","0.0559","","","0.1402","0.169","","","","","","1.087","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152751","8.013","0.012","9.542","0.014","14.04","0.02","93.728","0.018","104.831","0.019","97.695","0.019","1023","3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O5 -","- C23 H20 N2 O5 -","- C46 H40 N4 O10 -","2","1","","Yao, Liangqing; Yu, Xingxin; Mo, Chen; Wu, Jie","Synthesis of pyrazolo[5,1-a]isoquinolines via silver(i)-rhodium(i) cooperative catalysis in the reaction of N'-(2-alkynylbenzylidene)hydrazide with cycloprop-2-ene-1,1-dicarboxylate.","Organic & biomolecular chemistry","2012","10","47","9447","9451","10.1039/c2ob26824h","","","0.71073","MoKα","","0.0742","0.0644","","","0.1692","0.1798","","","","","","1.025","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152752","14.1251","0.0019","11.6285","0.0015","16.905","0.002","90","","101.455","0.002","90","","2721.4","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H30 N2 O4 -","- C31 H30 N2 O4 -","- C124 H120 N8 O16 -","4","1","","Wu, Lei; Sun, Jing; Yan, Chao-Guo","Facile synthesis of spiro[indoline-3,3'-pyrrolo[1,2-a]quinolines] and spiro[indoline-3,1'-pyrrolo[2,1-a]isoquinolines] via 1,3-dipolar cycloaddition reactions of heteroaromatic ammonium salts with 3-phenacylideneoxindoles.","Organic & biomolecular chemistry","2012","10","47","9452","9463","10.1039/c2ob26849c","","","0.71073","MoKα","","0.0835","0.0595","","","0.1709","0.1948","","","","","","1.047","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152753","9.7306","0.0018","12.134","0.002","15.316","0.003","79.865","0.003","75.145","0.003","70.894","0.002","1643.2","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 Cl2 N2 O3 -","- C34 H24 Cl2 N2 O3 -","- C68 H48 Cl4 N4 O6 -","2","1","","Wu, Lei; Sun, Jing; Yan, Chao-Guo","Facile synthesis of spiro[indoline-3,3'-pyrrolo[1,2-a]quinolines] and spiro[indoline-3,1'-pyrrolo[2,1-a]isoquinolines] via 1,3-dipolar cycloaddition reactions of heteroaromatic ammonium salts with 3-phenacylideneoxindoles.","Organic & biomolecular chemistry","2012","10","47","9452","9463","10.1039/c2ob26849c","","","0.71073","MoKα","","0.0921","0.0608","","","0.1721","0.1955","","","","","","0.977","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152754","10.5214","0.0014","9.2191","0.0012","32.976","0.004","90","","107.588","0.004","90","","3049.1","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H25 F N2 O3 -","- C34 H25 F N2 O3 -","- C136 H100 F4 N8 O12 -","4","1","","Wu, Lei; Sun, Jing; Yan, Chao-Guo","Facile synthesis of spiro[indoline-3,3'-pyrrolo[1,2-a]quinolines] and spiro[indoline-3,1'-pyrrolo[2,1-a]isoquinolines] via 1,3-dipolar cycloaddition reactions of heteroaromatic ammonium salts with 3-phenacylideneoxindoles.","Organic & biomolecular chemistry","2012","10","47","9452","9463","10.1039/c2ob26849c","","","0.71073","MoKα","","0.1111","0.0607","","","0.1838","0.2059","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152756","8.7989","0.0014","11.8637","0.0019","15.562","0.003","88.053","0.002","74.732","0.002","69.982","0.002","1469.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H26 Cl N3 O3 -","- C37 H26 Cl N3 O3 -","- C74 H52 Cl2 N6 O6 -","2","1","","Wu, Lei; Sun, Jing; Yan, Chao-Guo","Facile synthesis of spiro[indoline-3,3'-pyrrolo[1,2-a]quinolines] and spiro[indoline-3,1'-pyrrolo[2,1-a]isoquinolines] via 1,3-dipolar cycloaddition reactions of heteroaromatic ammonium salts with 3-phenacylideneoxindoles.","Organic & biomolecular chemistry","2012","10","47","9452","9463","10.1039/c2ob26849c","","","0.71073","MoKα","","0.0744","0.052","","","0.1385","0.1583","","","","","","1.06","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152757","8.1013","0.0008","14.0953","0.0015","17.3131","0.0018","76.106","0.002","85.883","0.002","89.274","0.002","1914.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Br N S2 -","- C20 H22 Br N S2 -","- C80 H88 Br4 N4 S8 -","4","2","","Alajarín, Mateo; Bonillo, Baltasar; Orenes, Raúl-Angel; Ortín, María-Mar; Vidal, Angel","1,5-(H, RO, RS) shift/6π-electrocyclic ring closure tandem processes on N-[(α-heterosubstituted)-2-tolyl]ketenimines: a case study of relative migratory aptitudes and activating effects.","Organic & biomolecular chemistry","2012","10","48","9523","9537","10.1039/c2ob27010b","","","0.71073","MoKα","","0.0643","0.0518","","","0.0959","0.1004","","","","","","1.12","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7153753","22.8898","0.0013","22.8898","0.0013","32.1163","0.0019","90","","90","","120","","14572.7","1.5","100","2","100","2","","","","","","","synthesis as described","4","P 62 2 2","P 62 2 (0 0 4)","180","AG.118-B","","","- C66 H96 N8 O22 -","- C66 H96 N8 O22 -","- C396 H576 N48 O132 -","6","0.5","","Guerra, Arcadio; Brea, Roberto J.; Amorín, Manuel; Castedo, Luis; Granja, Juan R.","Self-assembling properties of all γ-cyclic peptides containing sugar amino acid residues.","Organic & biomolecular chemistry","2012","10","44","8762","8766","10.1039/c2ob26612a","","x-ray","0.71073","MoKα","","0.0859","0.0718","","","0.2052","0.219","","","","","","1.082","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7153754","10.9625","0.0016","12.4135","0.0017","12.6502","0.0018","115.78","0.001","94.564","0.002","100.874","0.002","1496.7","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H39 N O6 S Si -","- C29 H39 N O6 S Si -","- C58 H78 N2 O12 S2 Si2 -","2","1","","Guan, Yifu; Zhang, Hongbin; Pan, Chengxue; Wang, Jia; Huang, Rong; Li, Qilin","Flexible synthesis of montanine-like alkaloids: revisiting the structure of montabuphine.","Organic & biomolecular chemistry","2012","10","19","3812","3814","10.1039/c2ob25374g","","","0.71073","MoKα","","0.088","0.0529","","","0.1385","0.1622","","","","","","1.04","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7201501","24.89","0.02","8.368","0.008","22.23","0.02","90","","115.566","0.016","90","","4177","6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H40 Co N6 O10 -","- C48 H40 Co N6 O10 -","- C192 H160 Co4 N24 O40 -","4","0.5","","Montney, Matthew R.; Supkowski, Ronald M.; LaDuca, Robert L.","Five-fold interpenetrated strongly hydrogen bonded rhomboid grid layers constructed from the aggregation of neutral coordination complexes with long pendant aromatic dicarboxylate and organodiimine ligands","CrystEngComm","2008","10","1","111","","10.1039/b705987f","","","0.71073","MoKα","","0.125","0.065","","","0.1175","0.1389","","","","","","1.068","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201502","26.15","0.007","8.241","0.002","21.331","0.006","90","","119.933","0.004","90","","3983.7","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H36 N6 O8 Zn -","- C48 H36 N6 O8 Zn -","- C192 H144 N24 O32 Zn4 -","4","0.5","","Montney, Matthew R.; Supkowski, Ronald M.; LaDuca, Robert L.","Five-fold interpenetrated strongly hydrogen bonded rhomboid grid layers constructed from the aggregation of neutral coordination complexes with long pendant aromatic dicarboxylate and organodiimine ligands","CrystEngComm","2008","10","1","111","","10.1039/b705987f","","","0.71073","MoKα","","0.085","0.0475","","","0.0917","0.1038","","","","","","1.02","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201503","13.222","0.003","5.8829","0.0001","26.351","0.005","90","","114.443","0.009","90","","1866","0.6","313","2","313","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C44 H26 N8 O9 Zn2 -","- C44 H26 N8 O9 Zn2 -","- C88 H52 N16 O18 Zn4 -","2","0.5","","Wang, Xiu-Li; Bi, Yan-Feng; Liu, Guo-Cheng; Lin, Hong-Yan; Hu, Tong-Liang; Bu, Xian-He","Zn(ii) coordination architectures with mixed ligands of dipyrido[3,2-d ∶ 2′,3′-f]quinoxaline/2,3-di-2-pyridylquinoxaline and benzenedicarboxylate: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2008","10","3","349","","10.1039/b706071h","","","0.71073","MoKα","","0.0961","0.045","","","0.0833","0.0983","","","","","","0.963","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201504","13.6117","0.0018","14.957","0.002","18.604","0.003","90","","90","","90","","3787.6","0.9","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H14 N4 O5 Zn -","- C22 H14 N4 O5 Zn -","- C176 H112 N32 O40 Zn8 -","8","1","","Wang, Xiu-Li; Bi, Yan-Feng; Liu, Guo-Cheng; Lin, Hong-Yan; Hu, Tong-Liang; Bu, Xian-He","Zn(ii) coordination architectures with mixed ligands of dipyrido[3,2-d ∶ 2′,3′-f]quinoxaline/2,3-di-2-pyridylquinoxaline and benzenedicarboxylate: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2008","10","3","349","","10.1039/b706071h","","","0.71073","MoKα","","0.0827","0.0381","","","0.0838","0.1022","","","","","","0.999","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201505","18.881","0.005","14.216","0.004","30.413","0.008","90","","104.35","0.004","90","","7909","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H28 N8 O10 Zn2 -","- C44 H28 N8 O10 Zn2 -","- C352 H224 N64 O80 Zn16 -","8","1","","Wang, Xiu-Li; Bi, Yan-Feng; Liu, Guo-Cheng; Lin, Hong-Yan; Hu, Tong-Liang; Bu, Xian-He","Zn(ii) coordination architectures with mixed ligands of dipyrido[3,2-d ∶ 2′,3′-f]quinoxaline/2,3-di-2-pyridylquinoxaline and benzenedicarboxylate: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2008","10","3","349","","10.1039/b706071h","","","0.71073","MoKα","","0.1003","0.0448","","","0.0803","0.0964","","","","","","0.987","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201506","7.5573","0.0016","23.502","0.005","12.903","0.003","90","","106.473","0.004","90","","2197.7","0.8","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 N4 O4 Zn -","- C26 H16 N4 O4 Zn -","- C104 H64 N16 O16 Zn4 -","4","1","","Wang, Xiu-Li; Bi, Yan-Feng; Liu, Guo-Cheng; Lin, Hong-Yan; Hu, Tong-Liang; Bu, Xian-He","Zn(ii) coordination architectures with mixed ligands of dipyrido[3,2-d ∶ 2′,3′-f]quinoxaline/2,3-di-2-pyridylquinoxaline and benzenedicarboxylate: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2008","10","3","349","","10.1039/b706071h","","","0.71073","MoKα","","0.1059","0.0522","","","0.1144","0.1341","","","","","","1.027","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201507","16.767","0.003","8.2663","0.0016","19.495","0.004","90","","96.903","0.004","90","","2682.4","0.9","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 N4 O5 Zn -","- C32 H20 N4 O5 Zn -","- C128 H80 N16 O20 Zn4 -","4","1","","Wang, Xiu-Li; Bi, Yan-Feng; Liu, Guo-Cheng; Lin, Hong-Yan; Hu, Tong-Liang; Bu, Xian-He","Zn(ii) coordination architectures with mixed ligands of dipyrido[3,2-d ∶ 2′,3′-f]quinoxaline/2,3-di-2-pyridylquinoxaline and benzenedicarboxylate: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2008","10","3","349","","10.1039/b706071h","","","0.71073","MoKα","","0.1366","0.051","","","0.1072","0.1336","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201508","37.703","0.008","37.703","0.008","17.32","0.005","90","","90","","120","","21322","9","253","1","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C32 H18 N4 O10 Os3 -","- C32 H18 N4 O10 Os3 -","- C576 H324 N72 O180 Os54 -","18","0.5","","Wong, Janet Shuk-Yee; Gu, Yan-Juan; Szeto, Lap; Wong, Wing-Tak","An open-channel architecture assembly from the [Os3(CO)8{µ-η3-ONCPh(NC5H4)}2] cluster","CrystEngComm","2008","10","1","29","","10.1039/b708080h","","","0.71073","MoKα","","","0.0538","","","","0.0648","","","","","","1.011","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201509","12.955","0.005","12.955","0.005","19.352","0.006","90","","90","","90","","3248","2","253","1","","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C32 H18 N4 O10 Os3 -","- C32 H18 N4 O10 Os3 -","- C128 H72 N16 O40 Os12 -","4","0.5","","Wong, Janet Shuk-Yee; Gu, Yan-Juan; Szeto, Lap; Wong, Wing-Tak","An open-channel architecture assembly from the [Os3(CO)8{µ-η3-ONCPh(NC5H4)}2] cluster","CrystEngComm","2008","10","1","29","","10.1039/b708080h","","","0.71073","MoKα","","","0.0225","","","","0.0267","","","","","","1.083","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201510","13.847","0.009","14.011","0.011","19.795","0.016","78.5","0.03","76.35","0.03","63.27","0.02","3314","4","110","2","110","2","","","","","","","","5","P -1","-P 1","2","C60*(ZnOEP2.BPy)0.5*CHCl3","","","- C204 H98 Cl6 N10 Zn2 -","- C204 H98 Cl6 N10 Zn2 -","- C204 H98 Cl6 N10 Zn2 -","1","0.5","","Konarev, Dmitri V.; Khasanov, Salavat S.; Slovokhotov, Yury L.; Saito, Gunzi; Lyubovskaya, Rimma N.","Neutral and ionic complexes of C60 with (ZnOEP)2·BPy coordination dimers","CrystEngComm","2008","10","1","48","","10.1039/b708100f","","","0.71073","MoKα","","0.1366","0.0917","","","0.2181","0.2453","","","","","","0.951","","","","has coordinates,has disorder","180346","2020-10-21","18:00:00",""
"7201511","14.8555","0.0004","21.215","0.0007","24.2022","0.0006","90","","90","","90","","7627.6","0.4","100","2","100","2","","","","","","","","5","I 2 2 2","I 2 2","23","2(C60-)*(ZnOEP2.BPy)*2(TDAE+)*(C6H4Cl2)0.25*(C6H6)0.75","","","- C228 H149.5 Cl0.5 N18 Zn2 -","- C228 H149.504 Cl0.496 N18 Zn2 -","- C456 H299.008 Cl0.992 N36 Zn4 -","2","0.25","","Konarev, Dmitri V.; Khasanov, Salavat S.; Slovokhotov, Yury L.; Saito, Gunzi; Lyubovskaya, Rimma N.","Neutral and ionic complexes of C60 with (ZnOEP)2·BPy coordination dimers","CrystEngComm","2008","10","1","48","","10.1039/b708100f","","","0.71073","MoKα","","0.0571","0.0496","","","0.1401","0.1466","","","","","","1.077","","","","has coordinates,has disorder","180346","2020-10-21","18:00:00",""
"7201512","14.14","0.002","7.3843","0.0011","10.2066","0.0015","90","","109.291","0.01","90","","1005.9","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Phenylcyclopentanecarboxamide","","- C12 H15 N O -","- C12 H15 N O -","- C48 H60 N4 O4 -","4","1","","Lemmerer, Andreas; Michael, Joseph P.","Hydrogen bonding patterns in a series of 1-arylcycloalkanecarboxamides","CrystEngComm","2008","10","1","95","","10.1039/b708333e","","","0.71073","MoKα","","0.0601","0.0459","","","0.1102","0.1184","","","","","","1.028","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201513","13.8232","0.0019","6.1326","0.0008","26.176","0.004","90","","90","","90","","2219","0.5","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-Phenylcyclohexanecarboxamide","","- C13 H17 N O -","- C13 H17 N O -","- C104 H136 N8 O8 -","8","2","","Lemmerer, Andreas; Michael, Joseph P.","Hydrogen bonding patterns in a series of 1-arylcycloalkanecarboxamides","CrystEngComm","2008","10","1","95","","10.1039/b708333e","","","0.71073","MoKα","","0.0567","0.0434","","","0.1058","0.1126","","","","","","1.038","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201514","11.792","0.005","8.646","0.004","12.17","0.005","90","","111.51","0.007","90","","1154.4","0.9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(2-Fluorophenyl)cyclohexanecarbocamide","","- C13 H16 F N O -","- C13 H16 F N O -","- C52 H64 F4 N4 O4 -","4","1","","Lemmerer, Andreas; Michael, Joseph P.","Hydrogen bonding patterns in a series of 1-arylcycloalkanecarboxamides","CrystEngComm","2008","10","1","95","","10.1039/b708333e","","","0.71073","MoKα","","0.0654","0.0436","","","0.109","0.1186","","","","","","1.033","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201515","13.314","0.002","9.3311","0.0013","29.104","0.004","90","","90.109","0.01","90","","3615.7","0.9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(2-Chlorophenyl)cyclohexanecarboxamide","","- C13 H16 Cl N O -","- C13 H16 Cl N O -","- C156 H192 Cl12 N12 O12 -","12","3","","Lemmerer, Andreas; Michael, Joseph P.","Hydrogen bonding patterns in a series of 1-arylcycloalkanecarboxamides","CrystEngComm","2008","10","1","95","","10.1039/b708333e","","","0.71073","MoKα","","0.0737","0.0471","","","0.1339","0.1576","","","","","","0.662","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201516","8.9257","0.0013","10.8387","0.0016","13.7825","0.0019","69.877","0.01","87.223","0.011","82.095","0.011","1240.1","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","1-(2-Bromophenyl)cyclohexanecarboxamide","","- C13 H16 Br N O -","- C13 H16 Br N O -","- C52 H64 Br4 N4 O4 -","4","2","","Lemmerer, Andreas; Michael, Joseph P.","Hydrogen bonding patterns in a series of 1-arylcycloalkanecarboxamides","CrystEngComm","2008","10","1","95","","10.1039/b708333e","","","0.71073","MoKα","","0.0423","0.0319","","","0.088","0.0958","","","","","","0.668","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201517","7.464","0.0005","11.7638","0.0008","13.5851","0.0009","81.132","0.001","79.124","0.001","73.027","0.001","1114.14","0.13","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H17 Cl Cu F N3 O7 -","- C22 H17 Cl Cu F N3 O7 -","- C44 H34 Cl2 Cu2 F2 N6 O14 -","2","1","","Martínez-Vargas, Sergio; Hernández-Ortega, Simón; Toscano, Rubén A.; Salazar-Mendoza, Domingo; Valdés-Martínez, Jesús","Controlling the geometry of Cu(ii) tectons to build one-dimensional hydrogen bonded chains","CrystEngComm","2008","10","1","86","","10.1039/b708585k","","","0.71073","MoKα","","0.044","0.0358","","","0.0811","0.0835","","","","","","0.951","","","","has coordinates,has disorder","180346","2020-10-21","18:00:00",""
"7201518","8.4714","0.0007","20.2757","0.0017","13.3148","0.0011","90","","100.051","0.002","90","","2251.9","0.3","291","2","291","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 Cl Cu F N3 O7 -","- C22 H17 Cl Cu F N3 O7 -","- C88 H68 Cl4 Cu4 F4 N12 O28 -","4","1","","Martínez-Vargas, Sergio; Hernández-Ortega, Simón; Toscano, Rubén A.; Salazar-Mendoza, Domingo; Valdés-Martínez, Jesús","Controlling the geometry of Cu(ii) tectons to build one-dimensional hydrogen bonded chains","CrystEngComm","2008","10","1","86","","10.1039/b708585k","","","0.71073","MoKα","","0.1111","0.0597","","","0.1146","0.1245","","","","","","0.946","","","","has coordinates,has disorder","180346","2020-10-21","18:00:00",""
"7201519","7.359","0.001","12.348","0.001","13.87","0.002","87.08","0.01","81.66","0.01","78.55","0.01","1221.9","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","(aqua(4,5-dichlorophthalato-O)(2,2':6',2''-terpyridine- N,N'N'')copper(ii)) three hydrate","[aqua(4,5-dichlorophthalato-O)(2,2':6',2""-terpyridine-N,N'N"")copper(II)] three hydrate","","- C23 H21 Cl2 Cu N3 O8 -","- C23 H21 Cl2 Cu N3 O8 -","- C46 H42 Cl4 Cu2 N6 O16 -","2","1","","Martínez-Vargas, Sergio; Hernández-Ortega, Simón; Toscano, Rubén A.; Salazar-Mendoza, Domingo; Valdés-Martínez, Jesús","Controlling the geometry of Cu(ii) tectons to build one-dimensional hydrogen bonded chains","CrystEngComm","2008","10","1","86","","10.1039/b708585k","","","0.71073","MoKα","","0.052","0.0369","","","0.0847","0.0922","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201520","7.3808","0.0006","32.937","0.003","13.1837","0.0011","90","","99.534","0.002","90","","3160.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H21 Cl4 Cu N3 O10 -","- C31 H21 Cl4 Cu N3 O10 -","- C124 H84 Cl16 Cu4 N12 O40 -","4","1","","Martínez-Vargas, Sergio; Hernández-Ortega, Simón; Toscano, Rubén A.; Salazar-Mendoza, Domingo; Valdés-Martínez, Jesús","Controlling the geometry of Cu(ii) tectons to build one-dimensional hydrogen bonded chains","CrystEngComm","2008","10","1","86","","10.1039/b708585k","","","0.71073","MoKα","","0.1091","0.0546","","","0.0821","0.0914","","","","","","0.817","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201521","7.6704","0.0004","25.4797","0.0013","12.463","0.0007","90","","96.488","0.001","90","","2420.2","0.2","291","2","291","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C46 H33 Cl Cu2 F8 N6 O18 -","- C46 H33 Cl Cu2 F8 N6 O18 -","- C92 H66 Cl2 Cu4 F16 N12 O36 -","2","1","","Martínez-Vargas, Sergio; Hernández-Ortega, Simón; Toscano, Rubén A.; Salazar-Mendoza, Domingo; Valdés-Martínez, Jesús","Controlling the geometry of Cu(ii) tectons to build one-dimensional hydrogen bonded chains","CrystEngComm","2008","10","1","86","","10.1039/b708585k","","","0.71073","MoKα","","0.0502","0.0395","","","0.07","0.0725","","","","","","0.85","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201522","7.032","0.001","12.785","0.002","14.381","0.002","86.59","0.01","85.08","0.02","84.95","0.01","1281.4","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27.6 H26.2 Cu N3 O8 -","- C27.6 H26.2 Cu N3 O8 -","- C55.2 H52.4 Cu2 N6 O16 -","2","1","","Martínez-Vargas, Sergio; Hernández-Ortega, Simón; Toscano, Rubén A.; Salazar-Mendoza, Domingo; Valdés-Martínez, Jesús","Controlling the geometry of Cu(ii) tectons to build one-dimensional hydrogen bonded chains","CrystEngComm","2008","10","1","86","","10.1039/b708585k","","","0.71073","MoKα","","0.0609","0.0465","","","0.1198","0.1354","","","","","","1.071","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7201523","8.5511","0.0018","9.298","0.002","10.774","0.003","86.929","0.018","80.092","0.018","82.061","0.017","835.4","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","1,3-dimethylimidazolium methylsulfate (18-crown-6)","","","- C24 H48 N4 O14 S2 -","- C24 H48 N4 O14 S2 -","- C24 H48 N4 O14 S2 -","1","0.5","","Gjikaj, Mimoza; Brockner, Wolfgang; Namyslo, Jan; Adam, Arnold","Crown-ether enclosure generated by ionic liquid components—synthesis, crystal structure and Raman spectra of compounds of imidazolium based salts and 18-crown-6","CrystEngComm","2008","10","1","103","","10.1039/b708724c","","","0.71073","MoKα","","0.0845","0.0621","","","0.1542","0.1682","","","","","","1.03","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201524","9.1227","0.0011","16.1877","0.0014","13.9387","0.0016","90","","98.028","0.01","90","","2038.2","0.4","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1-butyl-3-methylimidazolium methylsulfate (18-crown-6)","","","- C30 H60 N4 O14 S2 -","- C30 H60 N4 O14 S2 -","- C60 H120 N8 O28 S4 -","2","0.5","","Gjikaj, Mimoza; Brockner, Wolfgang; Namyslo, Jan; Adam, Arnold","Crown-ether enclosure generated by ionic liquid components—synthesis, crystal structure and Raman spectra of compounds of imidazolium based salts and 18-crown-6","CrystEngComm","2008","10","1","103","","10.1039/b708724c","","","0.71073","MoKα","","0.0779","0.0612","","","0.1484","0.1591","","","","","","1.09","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201525","8.946","0.002","9.165","0.002","11.469","0.003","92.604","0.018","98.722","0.018","97.862","0.019","918.6","0.4","223","2","223","2","","","","","","","","6","P -1","-P 1","2","1-ethyl-3-methylimidazolium trifluoromethanesulfonate (18- crown-6)","","","- C26 H46 F6 N4 O12 S2 -","- C26 H46 F6 N4 O12 S2 -","- C26 H46 F6 N4 O12 S2 -","1","0.5","","Gjikaj, Mimoza; Brockner, Wolfgang; Namyslo, Jan; Adam, Arnold","Crown-ether enclosure generated by ionic liquid components—synthesis, crystal structure and Raman spectra of compounds of imidazolium based salts and 18-crown-6","CrystEngComm","2008","10","1","103","","10.1039/b708724c","","","0.71073","MoKα","","0.1016","0.0612","","","0.108","0.1217","","","","","","1.066","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201526","8.751","0.005","9.126","0.004","11.357","0.006","97.26","0.04","97.99","0.04","97.76","0.04","880.2","0.8","223","2","223","2","","","","","","","","5","P -1","-P 1","2","1-ethyl-3-methylimidazolium methanesulfanate (18-crown-6)","","","- C26 H52 N4 O12 S2 -","- C26 H52 N4 O12 S2 -","- C26 H52 N4 O12 S2 -","1","0.5","","Gjikaj, Mimoza; Brockner, Wolfgang; Namyslo, Jan; Adam, Arnold","Crown-ether enclosure generated by ionic liquid components—synthesis, crystal structure and Raman spectra of compounds of imidazolium based salts and 18-crown-6","CrystEngComm","2008","10","1","103","","10.1039/b708724c","","","0.71073","MoKα","","0.1172","0.0725","","","0.1454","0.1638","","","","","","1.038","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201527","6.9077","0.0014","8.6625","0.0017","12.91","0.003","77.42","0.03","82.55","0.03","88.7","0.03","747.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 Cl5 N O -","- C13 H10 Cl5 N O -","- C26 H20 Cl10 N2 O2 -","2","1","","Schmidtmann, Marc; Wilson, Chick C.","Hydrogen transfer in pentachlorophenol ‒ dimethylpyridine complexes","CrystEngComm","2008","10","2","177","","10.1039/b709110a","","","0.71073","MoKα","","0.1445","0.1185","","","0.2837","0.3001","","","","","","1.073","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201528","7.0775","0.0009","8.3612","0.0011","12.9536","0.0019","93.097","0.009","102.689","0.008","100.189","0.007","732.58","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 Cl5 N O -","- C13 H10 Cl5 N O -","- C26 H20 Cl10 N2 O2 -","2","1","","Schmidtmann, Marc; Wilson, Chick C.","Hydrogen transfer in pentachlorophenol ‒ dimethylpyridine complexes","CrystEngComm","2008","10","2","177","","10.1039/b709110a","","","0.71073","MoKα","","0.0499","0.0316","","","0.0591","0.0627","","","","","","0.897","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201529","27.3366","0.0014","7.0801","0.0004","19.0097","0.001","90","","125.646","0.002","90","","2989.9","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 Cl5 N O -","- C13 H10 Cl5 N O -","- C104 H80 Cl40 N8 O8 -","8","1","","Schmidtmann, Marc; Wilson, Chick C.","Hydrogen transfer in pentachlorophenol ‒ dimethylpyridine complexes","CrystEngComm","2008","10","2","177","","10.1039/b709110a","","","0.71073","MoKα","","0.0338","0.0258","","","0.0622","0.0663","","","","","","1.069","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201530","5.4813","0.0003","11.4515","0.0006","12.7614","0.0007","68.164","0.003","82.613","0.003","83.03","0.002","735.02","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 Cl5 N O -","- C13 H10 Cl5 N O -","- C26 H20 Cl10 N2 O2 -","2","1","","Schmidtmann, Marc; Wilson, Chick C.","Hydrogen transfer in pentachlorophenol ‒ dimethylpyridine complexes","CrystEngComm","2008","10","2","177","","10.1039/b709110a","","","0.71073","MoKα","","0.0362","0.0274","","","0.0708","0.0755","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201531","8.7761","0.0006","14.2399","0.001","23.7104","0.0017","90","","95.948","0.001","90","","2947.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Cl10 N2 O2 -","- C26 H20 Cl10 N2 O2 -","- C104 H80 Cl40 N8 O8 -","4","1","","Schmidtmann, Marc; Wilson, Chick C.","Hydrogen transfer in pentachlorophenol ‒ dimethylpyridine complexes","CrystEngComm","2008","10","2","177","","10.1039/b709110a","","","0.71073","MoKα","","0.0435","0.0309","","","0.0754","0.082","","","","","","1.047","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201532","8.6844","0.0016","13.449","0.003","12.804","0.002","90","","90.622","0.004","90","","1495.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 Cl5 N O -","- C13 H10 Cl5 N O -","- C52 H40 Cl20 N4 O4 -","4","1","","Schmidtmann, Marc; Wilson, Chick C.","Hydrogen transfer in pentachlorophenol ‒ dimethylpyridine complexes","CrystEngComm","2008","10","2","177","","10.1039/b709110a","","","0.71073","MoKα","","0.0392","0.0295","","","0.075","0.0799","","","","","","1.046","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201533","7.0199","0.0006","22.9038","0.0018","15.2538","0.0012","90","","90","","90","","2452.5","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H13 Cl10 N O3 -","- C19 H13 Cl10 N O3 -","- C76 H52 Cl40 N4 O12 -","4","1","","Schmidtmann, Marc; Wilson, Chick C.","Hydrogen transfer in pentachlorophenol ‒ dimethylpyridine complexes","CrystEngComm","2008","10","2","177","","10.1039/b709110a","","","0.71073","MoKα","","0.038","0.0299","","","0.0619","0.0658","","","","","","1.067","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201534","9.342","0.0005","11.5145","0.0007","12.2668","0.0008","94.367","0.004","104.227","0.003","107.084","0.003","1206.84","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H11 Cl10 N O2 -","- C19 H11 Cl10 N O2 -","- C38 H22 Cl20 N2 O4 -","2","1","","Schmidtmann, Marc; Wilson, Chick C.","Hydrogen transfer in pentachlorophenol ‒ dimethylpyridine complexes","CrystEngComm","2008","10","2","177","","10.1039/b709110a","","","0.71073","MoKα","","0.0429","0.0308","","","0.0686","0.0747","","","","","","1.023","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201535","11.7771","0.0005","12.4154","0.0005","16.9","0.0007","76.399","0.002","86.657","0.002","85.458","0.002","2392.23","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H11 Cl10 N O2 -","- C19 H11 Cl10 N O2 -","- C76 H44 Cl40 N4 O8 -","4","2","","Schmidtmann, Marc; Wilson, Chick C.","Hydrogen transfer in pentachlorophenol ‒ dimethylpyridine complexes","CrystEngComm","2008","10","2","177","","10.1039/b709110a","","","0.71073","MoKα","","0.0435","0.0309","","","0.0666","0.0722","","","","","","1.023","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201536","9.8207","0.0013","11.2083","0.001","11.8496","0.0011","62.435","0.01","77.407","0.013","71.735","0.012","1093.9","0.2","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H16 N4 O4 Pb -","- C26 H16 N4 O4 Pb -","- C52 H32 N8 O8 Pb2 -","2","1","","Chen, Zhen-Feng; Zhang, Zhi-Li; Tan, Yu-Hui; Tang, Yun-Zhi; Fun, Hoong-Kun; Zhou, Zhong-Yuan; Abrahams, Brendan F.; Liang, Hong","Coordination polymers constructed by linking metal ions with azodibenzoate anions","CrystEngComm","2008","10","2","217","","10.1039/b709587b","","","0.7107","MoKα","","0.033","0.029","","","0.065","0.0665","","","","","","1.081","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201537","15.152","0.003","12.764","0.002","22.213","0.004","90","","97.324","0.005","90","","4260.9","1.3","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H38 Cu2 N2 O5 P2 -","- C50 H38 Cu2 N2 O5 P2 -","- C200 H152 Cu8 N8 O20 P8 -","4","1","","Chen, Zhen-Feng; Zhang, Zhi-Li; Tan, Yu-Hui; Tang, Yun-Zhi; Fun, Hoong-Kun; Zhou, Zhong-Yuan; Abrahams, Brendan F.; Liang, Hong","Coordination polymers constructed by linking metal ions with azodibenzoate anions","CrystEngComm","2008","10","2","217","","10.1039/b709587b","","","0.71073","MoKα","","0.2322","0.0541","","","0.0711","0.0928","","","","","","0.914","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201538","8.0104","0.0008","8.39","0.0008","16.5826","0.0017","101.017","0.002","96.913","0.001","93.629","0.001","1081.71","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 N4 O4 Zn -","- C24 H18 N4 O4 Zn -","- C48 H36 N8 O8 Zn2 -","2","1","","Chen, Zhen-Feng; Zhang, Zhi-Li; Tan, Yu-Hui; Tang, Yun-Zhi; Fun, Hoong-Kun; Zhou, Zhong-Yuan; Abrahams, Brendan F.; Liang, Hong","Coordination polymers constructed by linking metal ions with azodibenzoate anions","CrystEngComm","2008","10","2","217","","10.1039/b709587b","","","0.71073","MoKα","","0.0833","0.0532","","","0.1164","0.1398","","","","","","0.985","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201539","5.5357","0.0008","24.334","0.003","6.075","0.0008","90","","116.127","0.002","90","","734.72","0.17","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H12 Cd N2 O6 -","- C14 H8 Cd N2 O6 -","- C28 H16 Cd2 N4 O12 -","2","0.5","","Chen, Zhen-Feng; Zhang, Zhi-Li; Tan, Yu-Hui; Tang, Yun-Zhi; Fun, Hoong-Kun; Zhou, Zhong-Yuan; Abrahams, Brendan F.; Liang, Hong","Coordination polymers constructed by linking metal ions with azodibenzoate anions","CrystEngComm","2008","10","2","217","","10.1039/b709587b","","","0.71073","MoKα","","0.1054","0.0933","","","0.2446","0.2537","","","","","","1.289","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201540","6.0885","0.0013","9.586","0.002","13.926","0.003","92.253","0.004","90.182","0.004","102.491","0.004","792.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 Co N6 O6 -","- C34 H32 Co N6 O6 -","- C34 H32 Co N6 O6 -","1","0.5","","Chen, Zhen-Feng; Zhang, Zhi-Li; Tan, Yu-Hui; Tang, Yun-Zhi; Fun, Hoong-Kun; Zhou, Zhong-Yuan; Abrahams, Brendan F.; Liang, Hong","Coordination polymers constructed by linking metal ions with azodibenzoate anions","CrystEngComm","2008","10","2","217","","10.1039/b709587b","","","0.71073","MoKα","","0.1298","0.0572","","","0.0886","0.1003","","","","","","0.991","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201541","9.7462","0.0017","19.627","0.003","10.3287","0.0018","90","","100.361","0.003","90","","1943.5","0.6","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C16 H14 N2 O5 Zn -","- C16 H14 N2 O5 Zn -","- C64 H56 N8 O20 Zn4 -","4","0.5","","Chen, Zhen-Feng; Zhang, Zhi-Li; Tan, Yu-Hui; Tang, Yun-Zhi; Fun, Hoong-Kun; Zhou, Zhong-Yuan; Abrahams, Brendan F.; Liang, Hong","Coordination polymers constructed by linking metal ions with azodibenzoate anions","CrystEngComm","2008","10","2","217","","10.1039/b709587b","","","0.71073","MoKα","","0.0864","0.08","","","0.2358","0.2513","","","","","","1.107","","","","has coordinates,has disorder","180346","2020-10-21","18:00:00",""
"7201542","10.3958","0.0013","11.317","0.0015","11.5539","0.0015","91.235","0.003","92.032","0.003","113.549","0.003","1244.4","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H38 Co3 N8 O12 -","- C56 H38 Co3 N8 O12 -","- C56 H38 Co3 N8 O12 -","1","0.5","","Chen, Zhen-Feng; Zhang, Zhi-Li; Tan, Yu-Hui; Tang, Yun-Zhi; Fun, Hoong-Kun; Zhou, Zhong-Yuan; Abrahams, Brendan F.; Liang, Hong","Coordination polymers constructed by linking metal ions with azodibenzoate anions","CrystEngComm","2008","10","2","217","","10.1039/b709587b","","","0.71073","MoKα","","0.1134","0.0534","","","0.1104","0.1347","","","","","","1.021","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201543","16.6386","0.0007","6.3953","0.0003","27.2889","0.001","90","","112.7","0.002","90","","2678.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Cd N4 O5 -","- C26 H18 Cd N4 O5 -","- C104 H72 Cd4 N16 O20 -","4","1","","Chen, Zhen-Feng; Zhang, Zhi-Li; Tan, Yu-Hui; Tang, Yun-Zhi; Fun, Hoong-Kun; Zhou, Zhong-Yuan; Abrahams, Brendan F.; Liang, Hong","Coordination polymers constructed by linking metal ions with azodibenzoate anions","CrystEngComm","2008","10","2","217","","10.1039/b709587b","","","0.71073","MoKα","","0.0585","0.0458","","","0.1185","0.1241","","","","","","1.236","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201544","13.852","0.006","11.785","0.005","19.365","0.008","90","","107.722","0.007","90","","3011","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H40 N10 O12 Y2 -","- C66 H40 N10 O12 Y2 -","- C132 H80 N20 O24 Y4 -","2","0.5","","Chen, Zhen-Feng; Zhang, Zhi-Li; Tan, Yu-Hui; Tang, Yun-Zhi; Fun, Hoong-Kun; Zhou, Zhong-Yuan; Abrahams, Brendan F.; Liang, Hong","Coordination polymers constructed by linking metal ions with azodibenzoate anions","CrystEngComm","2008","10","2","217","","10.1039/b709587b","","","0.71073","MoKα","","0.2052","0.0787","","","0.1711","0.2351","","","","","","0.955","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201545","13.771","0.006","11.733","0.005","18.983","0.008","90","","107.627","0.005","90","","2923","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H40 N10 O12 Sm2 -","- C66 H40 N10 O12 Sm2 -","- C132 H80 N20 O24 Sm4 -","2","0.5","","Chen, Zhen-Feng; Zhang, Zhi-Li; Tan, Yu-Hui; Tang, Yun-Zhi; Fun, Hoong-Kun; Zhou, Zhong-Yuan; Abrahams, Brendan F.; Liang, Hong","Coordination polymers constructed by linking metal ions with azodibenzoate anions","CrystEngComm","2008","10","2","217","","10.1039/b709587b","","","0.71073","MoKα","","0.1415","0.0527","","","0.0994","0.1337","","","","","","1.025","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201546","13.728","0.004","11.688","0.004","19.196","0.006","90","","107.743","0.004","90","","2933.5","1.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H40 Er2 N10 O12 -","- C66 H40 Er2 N10 O12 -","- C132 H80 Er4 N20 O24 -","2","0.5","","Chen, Zhen-Feng; Zhang, Zhi-Li; Tan, Yu-Hui; Tang, Yun-Zhi; Fun, Hoong-Kun; Zhou, Zhong-Yuan; Abrahams, Brendan F.; Liang, Hong","Coordination polymers constructed by linking metal ions with azodibenzoate anions","CrystEngComm","2008","10","2","217","","10.1039/b709587b","","","0.71073","MoKα","","0.1906","0.0753","","","0.1515","0.201","","","","","","0.965","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201547","7.786","0.003","10.464","0.004","31.574","0.01","90","","90","","90","","2572.4","1.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H8 Ba N2 O4 -","- C14 H8 Ba N2 O4 -","- C112 H64 Ba8 N16 O32 -","8","1","","Chen, Zhen-Feng; Zhang, Zhi-Li; Tan, Yu-Hui; Tang, Yun-Zhi; Fun, Hoong-Kun; Zhou, Zhong-Yuan; Abrahams, Brendan F.; Liang, Hong","Coordination polymers constructed by linking metal ions with azodibenzoate anions","CrystEngComm","2008","10","2","217","","10.1039/b709587b","","","0.71073","MoKα","","0.1416","0.1096","","","0.2672","0.2815","","","","","","1.048","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201548","15.282","0.002","13.589","0.001","14.027","0.001","90","","112.611","0.001","90","","2689","0.4","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 O14 Pb4 -","- C24 H12 O14 Pb4 -","- C96 H48 O56 Pb16 -","4","1","","Yang, En-Cui; Li, Jian; Ding, Bin; Liang, Qing-Qing; Wang, Xiu-Guang; Zhao, Xiao-Jun","An eight-connected 3D lead(ii) metal‒organic framework with octanuclear lead(ii) as a secondary building unit: synthesis, characterization and luminescent property","CrystEngComm","2008","10","2","158","","10.1039/b709810c","","","0.71073","MoKα","","0.0507","0.0477","","","0.1296","0.1321","","","","","","1.059","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201549","8.0355","0.0018","5.3598","0.0012","23.64","0.005","90","","90.074","0.004","90","","1018.1","0.4","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 F N O -","- C13 H9 F N O -","- C52 H36 F4 N4 O4 -","4","1","","Chopra, Deepak; Guru Row, T. N.","Evaluation of the interchangeability of C‒H and C‒F groups: insights from crystal packing in a series of isomeric fluorinated benzanilides","CrystEngComm","2008","10","1","54","","10.1039/b709938j","","","0.71073","MoKα","","0.0706","0.0605","","","0.1361","0.1417","","","","","","1.132","","","","has coordinates,has disorder","180346","2020-10-21","18:00:00",""
"7201550","5.3691","0.001","7.8623","0.0015","12.892","0.002","72.465","0.003","80.495","0.003","89.707","0.003","511.23","0.16","290","2","290","2","","","","","","","see text","5","P -1","-P 1","2","","","","- C13 H10 F N O -","- C13 H10 F N O -","- C26 H20 F2 N2 O2 -","2","1","","Chopra, Deepak; Guru Row, T. N.","Evaluation of the interchangeability of C‒H and C‒F groups: insights from crystal packing in a series of isomeric fluorinated benzanilides","CrystEngComm","2008","10","1","54","","10.1039/b709938j","","","0.71073","MoKα","","0.0711","0.0626","","","0.1165","0.1201","","","","","","1.244","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201551","8.069","0.002","5.3914","0.0014","23.238","0.006","90","","90.169","0.004","90","","1010.9","0.4","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 F N O -","- C13 H10 F N O -","- C52 H40 F4 N4 O4 -","4","1","","Chopra, Deepak; Guru Row, T. N.","Evaluation of the interchangeability of C‒H and C‒F groups: insights from crystal packing in a series of isomeric fluorinated benzanilides","CrystEngComm","2008","10","1","54","","10.1039/b709938j","","","0.71073","MoKα","","0.0648","0.0524","","","0.1209","0.1287","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201552","5.349","0.003","7.599","0.004","12.945","0.006","92.124","0.008","101.179","0.007","90.162","0.008","515.8","0.5","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 F N O -","- C13 H10 F N O -","- C26 H20 F2 N2 O2 -","2","1","","Chopra, Deepak; Guru Row, T. N.","Evaluation of the interchangeability of C‒H and C‒F groups: insights from crystal packing in a series of isomeric fluorinated benzanilides","CrystEngComm","2008","10","1","54","","10.1039/b709938j","","","0.71073","MoKα","","0.0469","0.0323","","","0.0821","0.1121","","","","","","1.222","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201553","5.4206","0.0015","6.258","0.0017","15.534","0.004","90","","97.454","0.005","90","","522.5","0.2","290","2","290","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H10 F N O -","- C13 H10 F N O -","- C26 H20 F2 N2 O2 -","2","1","","Chopra, Deepak; Guru Row, T. N.","Evaluation of the interchangeability of C‒H and C‒F groups: insights from crystal packing in a series of isomeric fluorinated benzanilides","CrystEngComm","2008","10","1","54","","10.1039/b709938j","","","0.71073","MoKα","","0.1272","0.0635","","","0.0931","0.1116","","","","","","1.001","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201554","12.2353","0.0016","10.8787","0.0014","7.8648","0.001","90","","90.232","0.002","90","","1046.8","0.2","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Chopra, Deepak; Guru Row, T. N.","Evaluation of the interchangeability of C‒H and C‒F groups: insights from crystal packing in a series of isomeric fluorinated benzanilides","CrystEngComm","2008","10","1","54","","10.1039/b709938j","","","0.71073","MoKα","","0.0685","0.0499","","","0.0933","0.1002","","","","","","1.149","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201555","24.66","0.005","5.2031","0.0012","8.244","0.0018","90","","90","","90","","1057.8","0.4","290","2","290","2","","","","","","","see text","5","P c a 21","P 2c -2ac","29","","","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Chopra, Deepak; Guru Row, T. N.","Evaluation of the interchangeability of C‒H and C‒F groups: insights from crystal packing in a series of isomeric fluorinated benzanilides","CrystEngComm","2008","10","1","54","","10.1039/b709938j","","","0.71073","MoKα","","0.1259","0.0853","","","0.1356","0.1494","","","","","","1.148","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201556","5.1864","0.0014","5.8673","0.0016","35.127","0.009","90","","90","","90","","1068.9","0.5","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Chopra, Deepak; Guru Row, T. N.","Evaluation of the interchangeability of C‒H and C‒F groups: insights from crystal packing in a series of isomeric fluorinated benzanilides","CrystEngComm","2008","10","1","54","","10.1039/b709938j","","","0.71073","MoKα","","0.089","0.076","","","0.131","0.135","","","","","","1.09","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201557","5.46","0.002","7.693","0.003","13.038","0.005","106.758","0.006","100.371","0.006","90.016","0.006","515","0.3","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C26 H18 F4 N2 O2 -","2","1","","Chopra, Deepak; Guru Row, T. N.","Evaluation of the interchangeability of C‒H and C‒F groups: insights from crystal packing in a series of isomeric fluorinated benzanilides","CrystEngComm","2008","10","1","54","","10.1039/b709938j","","","0.71073","MoKα","","0.0786","0.0612","","","0.1625","0.1729","","","","","","1.059","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201558","8.0984","0.0014","16.458","0.003","16.621","0.003","90","","90","","90","","2215.3","0.7","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 Mg O15 -","- C17 H24 Mg O15 -","- C68 H96 Mg4 O60 -","4","1","","Duan, Xianying; Lin, Jianguo; Li, Yizhi; Zhu, Chengjian; Meng, Qingjin","Syntheses, structures and properties of a series of organic‒inorganic complexes based on methylenediisophthalic acid (H4MDIP)","CrystEngComm","2008","10","2","207","","10.1039/b709972j","","","0.71073","MoKα","","0.0641","0.0466","","","0.0952","0.0991","","","","","","1.025","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201559","19.436","0.018","13.549","0.013","20.662","0.019","90","","116.932","0.017","90","","4851","8","291","2","291","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H28 Ca2 O17 -","- C18 H28 Ca2 O17 -","- C144 H224 Ca16 O136 -","8","1","","Duan, Xianying; Lin, Jianguo; Li, Yizhi; Zhu, Chengjian; Meng, Qingjin","Syntheses, structures and properties of a series of organic‒inorganic complexes based on methylenediisophthalic acid (H4MDIP)","CrystEngComm","2008","10","2","207","","10.1039/b709972j","","","0.71073","MoKα","","0.0734","0.0525","","","0.111","0.1171","","","","","","1.039","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201560","10.852","0.002","12.688","0.003","17.865","0.004","90","","90.793","0.004","90","","2459.6","0.9","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 O17 Sr2 -","- C17 H26 O17 Sr2 -","- C68 H104 O68 Sr8 -","4","1","","Duan, Xianying; Lin, Jianguo; Li, Yizhi; Zhu, Chengjian; Meng, Qingjin","Syntheses, structures and properties of a series of organic‒inorganic complexes based on methylenediisophthalic acid (H4MDIP)","CrystEngComm","2008","10","2","207","","10.1039/b709972j","","","0.71073","MoKα","","0.0858","0.0635","","","0.132","0.1376","","","","","","0.987","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201561","21.44","0.005","13.16","0.003","10.837","0.002","90","","119.847","0.003","90","","2652.1","1","291","2","291","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H28 Ba2 O18 -","- C17 H28 Ba2 O18 -","- C68 H112 Ba8 O72 -","4","0.5","","Duan, Xianying; Lin, Jianguo; Li, Yizhi; Zhu, Chengjian; Meng, Qingjin","Syntheses, structures and properties of a series of organic‒inorganic complexes based on methylenediisophthalic acid (H4MDIP)","CrystEngComm","2008","10","2","207","","10.1039/b709972j","","","0.71073","MoKα","","0.0593","0.0459","","","0.11","0.1136","","","","","","1.03","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201562","7.3196","0.0017","10.067","0.002","11.818","0.003","75.913","0.003","75.671","0.004","74.625","0.004","798.7","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H26 Mn2 O19 -","- C34 H26 Mn2 O19 -","- C34 H26 Mn2 O19 -","1","0.5","","Duan, Xianying; Lin, Jianguo; Li, Yizhi; Zhu, Chengjian; Meng, Qingjin","Syntheses, structures and properties of a series of organic‒inorganic complexes based on methylenediisophthalic acid (H4MDIP)","CrystEngComm","2008","10","2","207","","10.1039/b709972j","","","0.71073","MoKα","","0.0647","0.055","","","0.1274","0.131","","","","","","1.131","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201563","7.2984","0.0017","9.985","0.002","11.724","0.003","76.244","0.003","75.392","0.001","74.173","0.005","782.2","0.3","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H26 Co2 O19 -","- C34 H26 Co2 O19 -","- C34 H26 Co2 O19 -","1","0.5","","Duan, Xianying; Lin, Jianguo; Li, Yizhi; Zhu, Chengjian; Meng, Qingjin","Syntheses, structures and properties of a series of organic‒inorganic complexes based on methylenediisophthalic acid (H4MDIP)","CrystEngComm","2008","10","2","207","","10.1039/b709972j","","","0.71073","MoKα","","0.0914","0.0669","","","0.1352","0.1417","","","","","","1.032","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201565","14.013","0.002","15.329","0.003","15.464","0.003","67.147","0.002","65.165","0.002","83.999","0.003","2771.1","0.9","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C140 H90 N4 O18 Zn5 -","- C140 H90 N4 O18 Zn5 -","- C140 H90 N4 O18 Zn5 -","1","0.5","","Wang, Jun-Jie; Liu, Chun-Sen; Hu, Tong-Liang; Chang, Ze; Li, Cai-Yun; Yan, Li-Fen; Chen, Pei-Quan; Bu, Xian-He; Wu, Qiang; Zhao, Li-Juan; Wang, Zhe; Zhang, Xin-Zheng","Zinc(ii) coordination architectures with two bulky anthracene-based carboxylic ligands: crystal structures and luminescent properties","CrystEngComm","2008","10","6","681","","10.1039/b710209g","","","0.71073","MoKα","","0.0872","0.059","","","0.1591","0.1744","","","","","","1.18","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201566","13.9951","0.0002","7.7039","0.0001","23.5124","0.0003","90","","95.787","0.001","90","","2522.11","0.06","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 O7 Zn -","- C30 H24 O7 Zn -","- C120 H96 O28 Zn4 -","4","1","","Wang, Jun-Jie; Liu, Chun-Sen; Hu, Tong-Liang; Chang, Ze; Li, Cai-Yun; Yan, Li-Fen; Chen, Pei-Quan; Bu, Xian-He; Wu, Qiang; Zhao, Li-Juan; Wang, Zhe; Zhang, Xin-Zheng","Zinc(ii) coordination architectures with two bulky anthracene-based carboxylic ligands: crystal structures and luminescent properties","CrystEngComm","2008","10","6","681","","10.1039/b710209g","","","0.71073","MoKα","","0.0523","0.0317","","","0.0776","0.0828","","","","","","1.082","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201567","22.62","0.02","17.58","0.015","18.07","0.017","90","","115.734","0.013","90","","6473","10","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H54 N4 O9 Zn2 -","- C84 H54 N4 O9 Zn2 -","- C336 H216 N16 O36 Zn8 -","4","0.5","","Wang, Jun-Jie; Liu, Chun-Sen; Hu, Tong-Liang; Chang, Ze; Li, Cai-Yun; Yan, Li-Fen; Chen, Pei-Quan; Bu, Xian-He; Wu, Qiang; Zhao, Li-Juan; Wang, Zhe; Zhang, Xin-Zheng","Zinc(ii) coordination architectures with two bulky anthracene-based carboxylic ligands: crystal structures and luminescent properties","CrystEngComm","2008","10","6","681","","10.1039/b710209g","","","0.7107","MoKα","","0.1359","0.1097","","","0.218","0.2341","","","","","","1.133","","","","has coordinates,has disorder","180346","2020-10-21","18:00:00",""
"7201568","24.168","0.003","11.574","0.0015","12.0378","0.0016","90","","94.489","0.002","90","","3356.9","0.7","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H34 N2 O6 Zn -","- C42 H34 N2 O6 Zn -","- C168 H136 N8 O24 Zn4 -","4","0.5","","Wang, Jun-Jie; Liu, Chun-Sen; Hu, Tong-Liang; Chang, Ze; Li, Cai-Yun; Yan, Li-Fen; Chen, Pei-Quan; Bu, Xian-He; Wu, Qiang; Zhao, Li-Juan; Wang, Zhe; Zhang, Xin-Zheng","Zinc(ii) coordination architectures with two bulky anthracene-based carboxylic ligands: crystal structures and luminescent properties","CrystEngComm","2008","10","6","681","","10.1039/b710209g","","","0.71073","MoKα","","0.0364","0.0297","","","0.074","0.0784","","","","","","1.062","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201569","16.442","0.002","17.697","0.003","27.528","0.004","90","","90","","90","","8010","2","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H40 N2 O10 Zn -","- C46 H40 N2 O10 Zn -","- C368 H320 N16 O80 Zn8 -","8","1","","Wang, Jun-Jie; Liu, Chun-Sen; Hu, Tong-Liang; Chang, Ze; Li, Cai-Yun; Yan, Li-Fen; Chen, Pei-Quan; Bu, Xian-He; Wu, Qiang; Zhao, Li-Juan; Wang, Zhe; Zhang, Xin-Zheng","Zinc(ii) coordination architectures with two bulky anthracene-based carboxylic ligands: crystal structures and luminescent properties","CrystEngComm","2008","10","6","681","","10.1039/b710209g","","","0.7107","MoKα","","0.0576","0.0433","","","0.1077","0.1164","","","","","","1.104","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201570","9.6712","0.0002","26.8053","0.0004","13.5499","0.0002","90","","92.768","0.001","90","","3508.57","0.1","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H29 N4 O6 Zn -","- C44 H29 N4 O6 Zn -","- C176 H116 N16 O24 Zn4 -","4","1","","Wang, Jun-Jie; Liu, Chun-Sen; Hu, Tong-Liang; Chang, Ze; Li, Cai-Yun; Yan, Li-Fen; Chen, Pei-Quan; Bu, Xian-He; Wu, Qiang; Zhao, Li-Juan; Wang, Zhe; Zhang, Xin-Zheng","Zinc(ii) coordination architectures with two bulky anthracene-based carboxylic ligands: crystal structures and luminescent properties","CrystEngComm","2008","10","6","681","","10.1039/b710209g","","","0.71073","MoKα","","0.0411","0.0309","","","0.0805","0.084","","","","","","1.086","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201571","9.5311","0.0019","10.77","0.002","12.445","0.002","112.048","0.003","95.725","0.003","110.766","0.003","1066.4","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 N6 O2 Zn -","- C24 H17 N6 O2 Zn -","- C48 H34 N12 O4 Zn2 -","2","1","","Wang, Jun-Jie; Liu, Chun-Sen; Hu, Tong-Liang; Chang, Ze; Li, Cai-Yun; Yan, Li-Fen; Chen, Pei-Quan; Bu, Xian-He; Wu, Qiang; Zhao, Li-Juan; Wang, Zhe; Zhang, Xin-Zheng","Zinc(ii) coordination architectures with two bulky anthracene-based carboxylic ligands: crystal structures and luminescent properties","CrystEngComm","2008","10","6","681","","10.1039/b710209g","","","0.71073","MoKα","","0.0624","0.0432","","","0.1061","0.1204","","","","","","1.067","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201572","17.9347","0.0001","18.1877","0.0001","18.3414","0.0002","90","","90","","90","","5982.8","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H92 Er3 N9 O37 -","- C36 H92 Er3 N9 O37 -","- C144 H368 Er12 N36 O148 -","4","1","","Zhu, Xiandong; Ma, Zhen; Bi, Wenhua; Wang, Yuling; Yuan, Daqiang; Cao, Rong","Formation of a sandwich-type supercomplex through second-sphere coordination of functionalized macrocyclic polyamines","CrystEngComm","2008","10","1","19","","10.1039/b710633e","","","0.71073","MoKα","","0.0316","0.0274","","","0.0522","0.054","","","","","","1.152","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201573","6.3467","0.0016","12.237","0.003","13.363","0.004","97.447","0.003","93.032","0.003","95.62","0.003","1021.9","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H30 Cu2 N6 O20 S2 Sm2 -","- C34 H30 Cu2 N6 O20 S2 Sm2 -","- C34 H30 Cu2 N6 O20 S2 Sm2 -","1","0.5","","Bo, Qi-Bing; Sun, Zhong-Xi; Forsling, Willis","A new family of 3D 3d‒4f heterometallic frameworks comprising 1D inorganic lanthanide ladders and organic CuI-bipyridine chains","CrystEngComm","2008","10","2","232","","10.1039/b710786b","","","0.71073","MoKα","","0.0733","0.0664","","","0.1701","0.1782","","","","","","1.094","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201574","6.383","0.002","12.333","0.003","13.507","0.002","97.427","0.003","93.019","0.002","95.519","0.003","1047.2","0.4","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H30 Cu2 Eu2 N6 O20 S2 -","- C34 H30 Cu2 Eu2 N6 O20 S2 -","- C34 H30 Cu2 Eu2 N6 O20 S2 -","1","0.5","","Bo, Qi-Bing; Sun, Zhong-Xi; Forsling, Willis","A new family of 3D 3d‒4f heterometallic frameworks comprising 1D inorganic lanthanide ladders and organic CuI-bipyridine chains","CrystEngComm","2008","10","2","232","","10.1039/b710786b","","","0.71073","MoKα","","0.1051","0.096","","","0.2256","0.2315","","","","","","1.021","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201575","12.648","0.003","13.225","0.003","14.475","0.003","87.804","0.003","67.298","0.002","66.926","0.003","2036.7","0.8","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H30 Cu2 Gd2 N6 O20 S2 -","- C34 H30 Cu2 Gd2 N6 O20 S2 -","- C68 H60 Cu4 Gd4 N12 O40 S4 -","2","1","","Bo, Qi-Bing; Sun, Zhong-Xi; Forsling, Willis","A new family of 3D 3d‒4f heterometallic frameworks comprising 1D inorganic lanthanide ladders and organic CuI-bipyridine chains","CrystEngComm","2008","10","2","232","","10.1039/b710786b","","","0.71073","MoKα","","0.0781","0.05","","","0.1169","0.132","","","","","","0.999","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201576","12.632","0.006","13.234","0.007","14.431","0.007","87.7","0.006","67.347","0.006","66.628","0.005","2025.5","1.7","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H30 Cu2 Dy2 N6 O20 S2 -","- C34 H30 Cu2 Dy2 N6 O20 S2 -","- C68 H60 Cu4 Dy4 N12 O40 S4 -","2","1","","Bo, Qi-Bing; Sun, Zhong-Xi; Forsling, Willis","A new family of 3D 3d‒4f heterometallic frameworks comprising 1D inorganic lanthanide ladders and organic CuI-bipyridine chains","CrystEngComm","2008","10","2","232","","10.1039/b710786b","","","0.71073","MoKα","","0.088","0.0628","","","0.1582","0.1817","","","","","","1.009","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201577","12.624","0.002","13.208","0.003","14.457","0.003","87.744","0.002","67.324","0.002","66.785","0.002","2026","0.7","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H30 Cu2 N6 O20 S2 Tb2 -","- C34 H30 Cu2 N6 O20 S2 Tb2 -","- C68 H60 Cu4 N12 O40 S4 Tb4 -","2","1","","Bo, Qi-Bing; Sun, Zhong-Xi; Forsling, Willis","A new family of 3D 3d‒4f heterometallic frameworks comprising 1D inorganic lanthanide ladders and organic CuI-bipyridine chains","CrystEngComm","2008","10","2","232","","10.1039/b710786b","","","0.71073","MoKα","","0.0613","0.0418","","","0.1092","0.1282","","","","","","0.994","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201578","15.8279","0.0003","10.5692","0.0002","18.4677","0.0005","90","","90","","90","","3089.43","0.12","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H36 Cu N6 O6 -","- C30 H36 Cu N6 O6 -","- C120 H144 Cu4 N24 O24 -","4","1","","Plater, M. John; Gelbrich, Thomas; Hursthouse, Michael B.; De Silva, Ben M.","Interpenetrating three-dimensional coordination networks with a rare 4-connected (65.8) topology and unusual geometrical features","CrystEngComm","2008","10","1","125","","10.1039/b711047b","","","0.71073","MoKα","","0.0396","0.0349","","","0.0865","0.0891","","","","","","0.989","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201579","15.7512","0.0002","10.2969","0.00015","18.7712","0.0002","90","","90","","90","","3044.47","0.07","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H36 Co N6 O6 -","- C30 H36 Co N6 O6 -","- C120 H144 Co4 N24 O24 -","4","1","","Plater, M. John; Gelbrich, Thomas; Hursthouse, Michael B.; De Silva, Ben M.","Interpenetrating three-dimensional coordination networks with a rare 4-connected (65.8) topology and unusual geometrical features","CrystEngComm","2008","10","1","125","","10.1039/b711047b","","","0.71073","MoKα","","0.0304","0.0283","","","0.0732","0.0742","","","","","","1.024","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201580","16.0791","0.0002","10.1956","0.0002","18.9341","0.0003","90","","90","","90","","3103.98","0.09","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H36 N6 Ni O6 -","- C30 H36 N6 Ni O6 -","- C120 H144 N24 Ni4 O24 -","4","1","","Plater, M. John; Gelbrich, Thomas; Hursthouse, Michael B.; De Silva, Ben M.","Interpenetrating three-dimensional coordination networks with a rare 4-connected (65.8) topology and unusual geometrical features","CrystEngComm","2008","10","1","125","","10.1039/b711047b","","","0.71073","MoKα","","0.0374","0.0324","","","0.0821","0.0842","","","","","","1.044","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201581","10.1288","0.0006","21.0031","0.0014","16.3702","0.001","90","","90.961","0.002","90","","3482","0.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C68 H90 Cu2 N12 O13 -","- C68 H88 Cu2 N12 O13 -","- C136 H176 Cu4 N24 O26 -","2","1","","Plater, M. John; Gelbrich, Thomas; Hursthouse, Michael B.; De Silva, Ben M.","Interpenetrating three-dimensional coordination networks with a rare 4-connected (65.8) topology and unusual geometrical features","CrystEngComm","2008","10","1","125","","10.1039/b711047b","","","0.71073","MoKα","","0.1517","0.0972","","","0.1741","0.1855","","","","","","1.206","","","","has coordinates,has disorder","180346","2020-10-21","18:00:00",""
"7201582","5.0866","","11.7731","","5.4595","","90","","111.99","","90","","303.157","","","","23","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","α-Glycine","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C8 H20 N4 O8 -","4","1","","Netzel, Jeanette; Hofmann, Andreas; van Smaalen, Sander","Accurate charge density of α-glycine by the maximum entropy method","CrystEngComm","2008","10","3","335","","10.1039/b711064b","","","0.71069","MoKα","","0.026","0.0233","","","0.0525","0.0535","","","","2.02","2.02","1.96","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201583","8.3067","0.0009","9.7312","0.0012","10.7272","0.0013","90","","106.181","0.008","90","","832.77","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C5 H6 O7 U -","- C5 H6 O7 U -","- C20 H24 O28 U4 -","4","2","","Thuéry, Pierre","Novel two-dimensional uranyl‒organic assemblages in the citrate and d(‒)-citramalate families","CrystEngComm","2008","10","1","79","","10.1039/b711273d","","","0.71073","MoKα","","0.0384","0.0342","","","0.0815","0.0837","","","","","","1.025","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201584","8.498","0.0003","9.2992","0.0004","13.2045","0.0006","86.048","0.002","87.745","0.003","88.381","0.003","1039.85","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H56 N2 O24 U3 -","- C28 H56 N2 O24 U3 -","- C28 H56 N2 O24 U3 -","1","0.5","","Thuéry, Pierre","Novel two-dimensional uranyl‒organic assemblages in the citrate and d(‒)-citramalate families","CrystEngComm","2008","10","1","79","","10.1039/b711273d","","","0.71073","MoKα","","0.0232","0.0204","","","0.0482","0.0489","","","","","","1.056","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201585","10.0669","0.0005","29.4919","0.0013","11.1076","0.0006","90","","107.873","0.003","90","","3138.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N2 O21 U3 -","- C22 H22 N2 O21 U3 -","- C88 H88 N8 O84 U12 -","4","1","","Thuéry, Pierre","Novel two-dimensional uranyl‒organic assemblages in the citrate and d(‒)-citramalate families","CrystEngComm","2008","10","1","79","","10.1039/b711273d","","","0.71073","MoKα","","0.0445","0.0324","","","0.0775","0.0806","","","","","","1.032","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201586","36.017","0.01","30.88","0.01","36.183","0.015","90","","93.66","0.03","90","","40161","2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C132 H126 Fe2 O39 S96 -","- C132 H96 Fe2 O39 S96 -","- C1056 H768 Fe16 O312 S768 -","8","1","","Martin, Lee; Day, Peter; Barnett, Sarah A.; Tocher, Derek A.; Horton, Peter N.; Hursthouse, Mike B.","Magnetic molecular charge-transfer salts containing layers of water and tris(oxalato)ferrate(iii) anions","CrystEngComm","2008","10","2","192","","10.1039/b711325k","","","0.71073","MoKα","","0.1574","0.0842","","","0.1898","0.2283","","","","","","1.04","","","","has coordinates,has disorder","180346","2020-10-21","18:00:00",""
"7201587","17.9695","0.0015","15.4988","0.0013","36.115","0.003","90","","93.72","0.002","90","","10037","1.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","{(FeO12C6)(C10H8S8)6}.(H2O)8","{(FeO12C6)(C10H8S8)6}.(H2O)8","","- C66 H64 Fe O20 S48 -","- C66 Fe O20 S48 -","- C264 Fe4 O80 S192 -","4","0.5","","Martin, Lee; Day, Peter; Barnett, Sarah A.; Tocher, Derek A.; Horton, Peter N.; Hursthouse, Mike B.","Magnetic molecular charge-transfer salts containing layers of water and tris(oxalato)ferrate(iii) anions","CrystEngComm","2008","10","2","192","","10.1039/b711325k","","","0.71073","MoKα","","0.1121","0.0673","","","0.1676","0.1971","","","","","","1.023","","","","has coordinates,has disorder","180346","2020-10-21","18:00:00",""
"7201588","8.4727","0.0004","14.4634","0.0007","18.4388","0.001","90","","94.748","0.001","90","","2251.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Co N6 O8 -","- C20 H22 Co N6 O8 -","- C80 H88 Co4 N24 O32 -","4","1","","Du, Miao; Zhang, Zhi-Hui; You, Yan-Ping; Zhao, Xiao-Jun","R-Isophthalate (R = ‒H, ‒NO2, and ‒COOH) as modular building blocks for mixed-ligand coordination polymers incorporated with a versatile connector 4-amino-3,5-bis(3-pyridyl)-1,2,4-triazole","CrystEngComm","2008","10","3","306","","10.1039/b711447h","","","0.71073","MoKα","","0.0335","0.0249","","","0.0646","0.0681","","","","","","1.044","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201589","8.335","0.004","10.926","0.005","13.175","0.006","102.845","0.005","99.713","0.005","92.635","0.006","1148.7","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 Co N7 O9 -","- C20 H19 Co N7 O9 -","- C40 H38 Co2 N14 O18 -","2","1","","Du, Miao; Zhang, Zhi-Hui; You, Yan-Ping; Zhao, Xiao-Jun","R-Isophthalate (R = ‒H, ‒NO2, and ‒COOH) as modular building blocks for mixed-ligand coordination polymers incorporated with a versatile connector 4-amino-3,5-bis(3-pyridyl)-1,2,4-triazole","CrystEngComm","2008","10","3","306","","10.1039/b711447h","","","0.71073","MoKα","","0.0318","0.027","","","0.072","0.0737","","","","","","1.056","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201590","7.7168","0.0009","8.8342","0.001","18.14","0.002","96.125","0.002","101.533","0.002","109.272","0.001","1123.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H42 Co N12 O18 -","- C42 H42 Co N12 O18 -","- C42 H42 Co N12 O18 -","1","0.5","","Du, Miao; Zhang, Zhi-Hui; You, Yan-Ping; Zhao, Xiao-Jun","R-Isophthalate (R = ‒H, ‒NO2, and ‒COOH) as modular building blocks for mixed-ligand coordination polymers incorporated with a versatile connector 4-amino-3,5-bis(3-pyridyl)-1,2,4-triazole","CrystEngComm","2008","10","3","306","","10.1039/b711447h","","","0.71073","MoKα","","0.0414","0.0337","","","0.0866","0.0902","","","","","","1.041","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201591","9.0733","0.0005","10.0843","0.0005","12.3969","0.0007","66.846","0.001","89.438","0.002","79.388","0.001","1022.62","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Cu N6 O6 -","- C20 H18 Cu N6 O6 -","- C40 H36 Cu2 N12 O12 -","2","1","","Du, Miao; Zhang, Zhi-Hui; You, Yan-Ping; Zhao, Xiao-Jun","R-Isophthalate (R = ‒H, ‒NO2, and ‒COOH) as modular building blocks for mixed-ligand coordination polymers incorporated with a versatile connector 4-amino-3,5-bis(3-pyridyl)-1,2,4-triazole","CrystEngComm","2008","10","3","306","","10.1039/b711447h","","","0.71073","MoKα","","0.0298","0.0271","","","0.0714","0.0728","","","","","","1.047","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201592","15.987","0.005","16.865","0.005","18.229","0.006","95.956","0.005","95.262","0.004","110.902","0.005","4523","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H76 Cu4 N28 O36 -","- C80 H70 Cu4 N28 O36 -","- C160 H140 Cu8 N56 O72 -","2","1","","Du, Miao; Zhang, Zhi-Hui; You, Yan-Ping; Zhao, Xiao-Jun","R-Isophthalate (R = ‒H, ‒NO2, and ‒COOH) as modular building blocks for mixed-ligand coordination polymers incorporated with a versatile connector 4-amino-3,5-bis(3-pyridyl)-1,2,4-triazole","CrystEngComm","2008","10","3","306","","10.1039/b711447h","","","0.71073","MoKα","","0.1239","0.0588","","","0.1322","0.1586","","","","","","0.999","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201593","7.685","0.006","14.817","0.012","18.713","0.015","90","","93.509","0.012","90","","2127","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 Cu N6 O8 -","- C21 H18 Cu N6 O8 -","- C84 H72 Cu4 N24 O32 -","4","1","","Du, Miao; Zhang, Zhi-Hui; You, Yan-Ping; Zhao, Xiao-Jun","R-Isophthalate (R = ‒H, ‒NO2, and ‒COOH) as modular building blocks for mixed-ligand coordination polymers incorporated with a versatile connector 4-amino-3,5-bis(3-pyridyl)-1,2,4-triazole","CrystEngComm","2008","10","3","306","","10.1039/b711447h","","","0.71073","MoKα","","0.0524","0.0379","","","0.0978","0.1057","","","","","","1.041","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201594","7.3188","0.0006","10.3043","0.0008","14.2348","0.0011","104.88","0.001","92.569","0.001","92.138","0.002","1035.15","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 Cd N6 O6.5 -","- C20 H18 Cd N6 O6.5 -","- C40 H36 Cd2 N12 O13 -","2","1","","Du, Miao; Zhang, Zhi-Hui; You, Yan-Ping; Zhao, Xiao-Jun","R-Isophthalate (R = ‒H, ‒NO2, and ‒COOH) as modular building blocks for mixed-ligand coordination polymers incorporated with a versatile connector 4-amino-3,5-bis(3-pyridyl)-1,2,4-triazole","CrystEngComm","2008","10","3","306","","10.1039/b711447h","","","0.71073","MoKα","","0.0212","0.0197","","","0.0524","0.0529","","","","","","1.064","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201595","9.1396","0.0016","13.754","0.002","18.779","0.003","78.625","0.002","87.997","0.002","84.394","0.001","2302.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H38 Cd2 N14 O18 -","- C40 H36 Cd2 N14 O18 -","- C80 H72 Cd4 N28 O36 -","2","1","","Du, Miao; Zhang, Zhi-Hui; You, Yan-Ping; Zhao, Xiao-Jun","R-Isophthalate (R = ‒H, ‒NO2, and ‒COOH) as modular building blocks for mixed-ligand coordination polymers incorporated with a versatile connector 4-amino-3,5-bis(3-pyridyl)-1,2,4-triazole","CrystEngComm","2008","10","3","306","","10.1039/b711447h","","","0.71073","MoKα","","0.06","0.0388","","","0.1005","0.1087","","","","","","1.053","","","","has coordinates,has disorder","180346","2020-10-21","18:00:00",""
"7201596","22.16","0.004","19.009","0.003","13.457","0.002","90","","124.142","0.002","90","","4691.6","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H22 Cd N6 O10 -","- C21 H18 Cd N6 O10 -","- C168 H144 Cd8 N48 O80 -","8","1","","Du, Miao; Zhang, Zhi-Hui; You, Yan-Ping; Zhao, Xiao-Jun","R-Isophthalate (R = ‒H, ‒NO2, and ‒COOH) as modular building blocks for mixed-ligand coordination polymers incorporated with a versatile connector 4-amino-3,5-bis(3-pyridyl)-1,2,4-triazole","CrystEngComm","2008","10","3","306","","10.1039/b711447h","","","0.71073","MoKα","","0.0488","0.0383","","","0.1017","0.1086","","","","","","1.041","","","","has coordinates,has disorder","180346","2020-10-21","18:00:00",""
"7201597","9.696","0.001","19.241","0.0019","7.2146","0.0007","90","","107.827","0.003","90","","1281.3","0.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1","","","- C12 H6 Ba N2 O5 -","- C12 H6 Ba N2 O5 -","- C48 H24 Ba4 N8 O20 -","4","1","","Kelly, Niamh R.; Goetz, Sandrine; Batten, Stuart R.; Kruger, Paul E.","Coordination behaviour and network formation with 4,4′,6,6′-tetracarboxy-2,2′-bipyridine and 4,4′-dicarboxy-2,2′-bipyridine ligands with rare and alkaline earth metals","CrystEngComm","2008","10","1","68","","10.1039/b711469a","","","0.71073","MoKα","","0.0746","0.0694","","","0.1825","0.1864","","","","","","1.082","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201598","17.2837","0.0014","9.9314","0.0008","7.0022","0.0006","90","","97.464","0.002","90","","1191.75","0.17","153","2","153","2","","","","","","","","5","C 1 c 1","C -2yc","9","2","","","- C12 H8 N2 O5 Sr -","- C12 H6 N2 O5 Sr -","- C48 H24 N8 O20 Sr4 -","4","1","","Kelly, Niamh R.; Goetz, Sandrine; Batten, Stuart R.; Kruger, Paul E.","Coordination behaviour and network formation with 4,4′,6,6′-tetracarboxy-2,2′-bipyridine and 4,4′-dicarboxy-2,2′-bipyridine ligands with rare and alkaline earth metals","CrystEngComm","2008","10","1","68","","10.1039/b711469a","","","0.71073","MoKα","","0.0365","0.0357","","","0.0863","0.0865","","","","","","1.107","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201599","27.5898","0.0011","9.7108","0.0004","13.2117","0.0005","90","","117.092","0.001","90","","3151.3","0.2","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","3","","","- C14 H8 Ba2 N2 O10 -","- C14 H8 Ba2 N2 O10 -","- C112 H64 Ba16 N16 O80 -","8","1","","Kelly, Niamh R.; Goetz, Sandrine; Batten, Stuart R.; Kruger, Paul E.","Coordination behaviour and network formation with 4,4′,6,6′-tetracarboxy-2,2′-bipyridine and 4,4′-dicarboxy-2,2′-bipyridine ligands with rare and alkaline earth metals","CrystEngComm","2008","10","1","68","","10.1039/b711469a","","","0.71073","MoKα","","0.0255","0.0227","","","0.0547","0.0558","","","","","","1.058","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201600","9.2075","0.0006","9.6199","0.0006","10.2189","0.0007","107.787","0.001","91.857","0.001","115.389","0.001","764.46","0.09","153","2","153","2","","","","","","","","6","P -1","-P 1","2","4","","","- C14 H10 Cu N2 O11 Sr -","- C14 H10 Cu N2 O11 Sr -","- C28 H20 Cu2 N4 O22 Sr2 -","2","1","","Kelly, Niamh R.; Goetz, Sandrine; Batten, Stuart R.; Kruger, Paul E.","Coordination behaviour and network formation with 4,4′,6,6′-tetracarboxy-2,2′-bipyridine and 4,4′-dicarboxy-2,2′-bipyridine ligands with rare and alkaline earth metals","CrystEngComm","2008","10","1","68","","10.1039/b711469a","","","0.71073","MoKα","","0.0445","0.0336","","","0.0769","0.0808","","","","","","1.042","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201601","9.0649","0.0013","7.1645","0.0011","11.7296","0.0017","90","","102.472","0.003","90","","743.81","0.19","153","2","153","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","2","","","- C14 H12 N2 O10 -","- C14 H12 N2 O10 -","- C28 H24 N4 O20 -","2","0.5","","Kelly, Niamh R.; Goetz, Sandrine; Batten, Stuart R.; Kruger, Paul E.","Coordination behaviour and network formation with 4,4′,6,6′-tetracarboxy-2,2′-bipyridine and 4,4′-dicarboxy-2,2′-bipyridine ligands with rare and alkaline earth metals","CrystEngComm","2008","10","1","68","","10.1039/b711469a","","","0.71073","MoKα","","0.0658","0.043","","","0.1099","0.1221","","","","","","1.021","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201602","10.2706","0.0009","10.8551","0.0009","16.487","0.0014","99.169","0.002","103.656","0.002","94.272","0.002","1751.2","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","3","","","- C33 H29 N4 O19 Yb -","- C33 H29 N4 O19 Yb -","- C66 H58 N8 O38 Yb2 -","2","1","","Kelly, Niamh R.; Goetz, Sandrine; Batten, Stuart R.; Kruger, Paul E.","Coordination behaviour and network formation with 4,4′,6,6′-tetracarboxy-2,2′-bipyridine and 4,4′-dicarboxy-2,2′-bipyridine ligands with rare and alkaline earth metals","CrystEngComm","2008","10","1","68","","10.1039/b711469a","","","0.71073","MoKα","","0.0622","0.0458","","","0.0927","0.0978","","","","","","1.044","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201603","10.4424","0.0006","12.9331","0.0007","15.4313","0.0009","79.426","0.001","87.329","0.002","74.204","0.001","1971.27","0.19","153","2","153","2","","","","","","","","6","P -1","-P 1","2","6","","","- C72 H74 Cu N8 O42 Yb2 -","- C72 H74 Cu N8 O42 Yb2 -","- C72 H74 Cu N8 O42 Yb2 -","1","0.5","","Kelly, Niamh R.; Goetz, Sandrine; Batten, Stuart R.; Kruger, Paul E.","Coordination behaviour and network formation with 4,4′,6,6′-tetracarboxy-2,2′-bipyridine and 4,4′-dicarboxy-2,2′-bipyridine ligands with rare and alkaline earth metals","CrystEngComm","2008","10","1","68","","10.1039/b711469a","","","0.71073","MoKα","","0.0632","0.0433","","","0.0934","0.101","","","","","","0.995","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201604","13.5903","0.0004","15.1186","0.0006","18.8621","0.0007","101.383","0.002","99.6841","0.0019","95.3548","0.0017","3712.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H106 N102 O17 Zn17 -","- C68 H74 N102.02 O17 Zn17 -","- C68 H74 N102.02 O17 Zn17 -","1","0.5","","Yue, Yan-Feng; Gao, En-Qing; Fang, Chen-Jie; Zheng, Tao; Liang, Jue; Yan, Chun-Hua","The crystal structures of four azido-bridged Zn(ii) complexes based on open-chain diazine Schiff-base ligands","CrystEngComm","2008","10","5","614","","10.1039/b711831g","","","0.71073","MoKα","","0.1046","0.0552","","","0.1474","0.1666","","","","","","0.984","","","","has coordinates,has disorder","180347","2020-10-21","18:00:00",""
"7201605","10.6683","0.0002","10.2683","0.0002","18.9476","0.0007","90","","117.949","0.003","90","","1833.53","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N14 Zn2 -","- C13 H11 N14 Zn2 -","- C52 H44 N56 Zn8 -","4","1","","Yue, Yan-Feng; Gao, En-Qing; Fang, Chen-Jie; Zheng, Tao; Liang, Jue; Yan, Chun-Hua","The crystal structures of four azido-bridged Zn(ii) complexes based on open-chain diazine Schiff-base ligands","CrystEngComm","2008","10","5","614","","10.1039/b711831g","","","0.71073","MoKα","","0.077","0.0457","","","0.1194","0.1266","","","","","","1.08","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201606","10.5173","0.0003","10.083","0.0003","19.5632","0.0007","90","","116.835","0.0014","90","","1851.18","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N15 O Zn2 -","- C12 H8 N15 O Zn2 -","- C48 H32 N60 O4 Zn8 -","4","1","","Yue, Yan-Feng; Gao, En-Qing; Fang, Chen-Jie; Zheng, Tao; Liang, Jue; Yan, Chun-Hua","The crystal structures of four azido-bridged Zn(ii) complexes based on open-chain diazine Schiff-base ligands","CrystEngComm","2008","10","5","614","","10.1039/b711831g","","","0.71073","MoKα","","0.1297","0.0404","","","0.0831","0.0973","","","","","","0.88","","","","has coordinates,has disorder","180347","2020-10-21","18:00:00",""
"7201607","15.3383","0.0004","13.3717","0.0004","17.5628","0.0006","90","","100.724","0.0016","90","","3539.21","0.19","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H10 N14 S Zn2 -","- C11 H9 N14 S Zn2 -","- C88 H72 N112 S8 Zn16 -","8","1","","Yue, Yan-Feng; Gao, En-Qing; Fang, Chen-Jie; Zheng, Tao; Liang, Jue; Yan, Chun-Hua","The crystal structures of four azido-bridged Zn(ii) complexes based on open-chain diazine Schiff-base ligands","CrystEngComm","2008","10","5","614","","10.1039/b711831g","","","0.71073","MoKα","","0.1261","0.0428","","","0.0949","0.1083","","","","","","0.911","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201608","10.5816","0.0008","14.0388","0.001","14.5487","0.0012","90","","94.38","0.005","90","","2154.9","0.3","123","1","123","1","","","","","","","","5","C 1 c 1","C -2yc","9","[Cu(O2CCCCO2)(3,5-Me2Py)(MeOH)].MeOH","[Cu(O2CCCCO2)(3,5-Me2Py)(MeOH)].MeOH","","- C20 H26 Cu N2 O6 -","- C20 H26 Cu N2 O6 -","- C80 H104 Cu4 N8 O24 -","4","1","","Turner, David R.; Strachan-Hatton, Joshua; Batten, Stuart R.","Steric control of 4-connected network topology in hydrogen bonded coordination polymers","CrystEngComm","2008","10","1","34","","10.1039/b711891k","","","0.71073","MoKα","","0.0747","0.0483","","","0.1027","0.113","","","","","","1.017","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201609","7.8631","0.0002","14.278","0.0003","14.3028","0.0003","90","","104.829","0.001","90","","1552.28","0.06","123","1","123","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Cu(O2CCCCO2)(py)2(MeOH)","[acetylenedicarboxylato-methanol-bis-pyridine-copper(II)]","","- C15 H14 Cu N2 O5 -","- C15 H14 Cu N2 O5 -","- C60 H56 Cu4 N8 O20 -","4","1","","Turner, David R.; Strachan-Hatton, Joshua; Batten, Stuart R.","Steric control of 4-connected network topology in hydrogen bonded coordination polymers","CrystEngComm","2008","10","1","34","","10.1039/b711891k","","","0.71073","MoKα","","0.0398","0.031","","","0.0707","0.0741","","","","","","1.052","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201610","13.748","0.002","7.701","0.001","13.781","0.002","90","","110.97","0.01","90","","1362.4","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","N,N-Diisopropyl-3-fluorobenzylamine-2-boronic acid","N,N-Diisopropyl-3-fluorobenzylamine-2-boronic acid","","- C13 H21 B F N O2 -","- C13 H21 B F N O2 -","- C52 H84 B4 F4 N4 O8 -","4","1","","Arnold, Kenny; Batsanov, Andrei S.; Davies, Bryan; Whiting, Andrew","Synthesis, evaluation and application of novel bifunctional N,N-di-isopropylbenzylamineboronic acid catalysts for direct amide formation between carboxylic acids and amines","Green Chemistry","2008","10","1","124","","10.1039/b712008g","","","0.71073","MoKα","","0.0436","0.0374","","","0.1019","0.107","","","","","","1.033","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201611","15.4653","0.0018","7.7851","0.0009","13.2548","0.0015","90","","105.71","0.01","90","","1536.2","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","N,N-Diisopropyl-5-trifluoromethylbenzylamine-2-boronic acid","N,N-Diisopropyl-5-trifluoromethylbenzylamine-2-boronic acid","","- C14 H21 B F3 N O2 -","- C14 H21 B F3 N O2 -","- C56 H84 B4 F12 N4 O8 -","4","1","","Arnold, Kenny; Batsanov, Andrei S.; Davies, Bryan; Whiting, Andrew","Synthesis, evaluation and application of novel bifunctional N,N-di-isopropylbenzylamineboronic acid catalysts for direct amide formation between carboxylic acids and amines","Green Chemistry","2008","10","1","124","","10.1039/b712008g","","","0.71073","MoKα","","0.0563","0.042","","","0.1045","0.1119","","","","","","1.026","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201612","7.6519","0.0015","11.885","0.002","13.594","0.003","69.47","0.03","79.83","0.03","82.01","0.03","1135.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H40 Co2 N8 O20 -","- C46 H40 Co2 N8 O20 -","- C46 H40 Co2 N8 O20 -","1","0.5","","Che, Guang-Bo; Liu, Chun-Bo; Liu, Bo; Wang, Qing-Wei; Xu, Zhan-Lin","Syntheses, structures and photoluminescence of a series of metal-organic complexes with 1,3,5-benzenetricarboxylate and pyrazino[2,3-f][1,10]-phenanthroline ligands","CrystEngComm","2008","10","2","184","","10.1039/b712015j","","","0.71073","MoKα","","0.0633","0.0439","","","0.1018","0.1099","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201613","16.16","0.005","13.073","0.004","18.365","0.005","90","","90","","90","","3880","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H14 Mn N4 O7 -","- C23 H14 Mn N4 O7 -","- C184 H112 Mn8 N32 O56 -","8","1","","Che, Guang-Bo; Liu, Chun-Bo; Liu, Bo; Wang, Qing-Wei; Xu, Zhan-Lin","Syntheses, structures and photoluminescence of a series of metal-organic complexes with 1,3,5-benzenetricarboxylate and pyrazino[2,3-f][1,10]-phenanthroline ligands","CrystEngComm","2008","10","2","184","","10.1039/b712015j","","","0.71073","MoKα","","0.0647","0.0406","","","0.0961","0.1076","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201614","10.243","0.002","11.406","0.002","15.414","0.003","74.56","0.03","70.73","0.03","85.23","0.03","1638.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H22 Cd2 N8 O8 -","- C37 H22 Cd2 N8 O8 -","- C74 H44 Cd4 N16 O16 -","2","1","","Che, Guang-Bo; Liu, Chun-Bo; Liu, Bo; Wang, Qing-Wei; Xu, Zhan-Lin","Syntheses, structures and photoluminescence of a series of metal-organic complexes with 1,3,5-benzenetricarboxylate and pyrazino[2,3-f][1,10]-phenanthroline ligands","CrystEngComm","2008","10","2","184","","10.1039/b712015j","","","0.71073","MoKα","","0.0448","0.0333","","","0.076","0.0819","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201615","9.4403","0.0019","14.647","0.003","15.286","0.003","90","","101.39","0.03","90","","2072","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H12 Cu2 N4 O7 -","- C23 H12 Cu2 N4 O7 -","- C92 H48 Cu8 N16 O28 -","4","1","","Che, Guang-Bo; Liu, Chun-Bo; Liu, Bo; Wang, Qing-Wei; Xu, Zhan-Lin","Syntheses, structures and photoluminescence of a series of metal-organic complexes with 1,3,5-benzenetricarboxylate and pyrazino[2,3-f][1,10]-phenanthroline ligands","CrystEngComm","2008","10","2","184","","10.1039/b712015j","","","0.71073","MoKα","","0.0344","0.0275","","","0.0776","0.0865","","","","","","1.174","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201616","9.4496","0.0019","14.686","0.003","15.217","0.003","90","","101.15","0.03","90","","2071.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H12 N4 O7 Zn2 -","- C23 H12 N4 O7 Zn2 -","- C92 H48 N16 O28 Zn8 -","4","1","","Che, Guang-Bo; Liu, Chun-Bo; Liu, Bo; Wang, Qing-Wei; Xu, Zhan-Lin","Syntheses, structures and photoluminescence of a series of metal-organic complexes with 1,3,5-benzenetricarboxylate and pyrazino[2,3-f][1,10]-phenanthroline ligands","CrystEngComm","2008","10","2","184","","10.1039/b712015j","","","0.71073","MoKα","","0.0376","0.0285","","","0.0636","0.0669","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201617","7.268","0.003","20.93","0.008","10.365","0.004","90","","108.032","0.005","90","","1499.3","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Co N6 O12 -","- C30 H30 Co N6 O12 -","- C60 H60 Co2 N12 O24 -","2","0.5","","Braverman, Maxwell A.; LaDuca, Robert L.","Hydrothermal synthesis of divalent metal pyromellitate/dipyridylamine complexes: From an unprecedented supramolecular three-dimensional topology to an anionic coordination polymer framework with large incipient cation-bearing voids","CrystEngComm","2008","10","1","117","","10.1039/b712182b","","","0.71073","MoKα","","0.0405","0.0347","","","0.0832","0.0863","","","","","","1.031","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201618","11.5837","0.0013","14.7422","0.0017","11.6194","0.0013","90","","102.319","0.002","90","","1938.5","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N3 O10 Zn -","- C20 H17 N3 O10 Zn -","- C80 H68 N12 O40 Zn4 -","4","1","","Braverman, Maxwell A.; LaDuca, Robert L.","Hydrothermal synthesis of divalent metal pyromellitate/dipyridylamine complexes: From an unprecedented supramolecular three-dimensional topology to an anionic coordination polymer framework with large incipient cation-bearing voids","CrystEngComm","2008","10","1","117","","10.1039/b712182b","","","0.71073","MoKα","","0.0403","0.032","","","0.0746","0.0778","","","","","","1.099","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201619","10.464","0.002","10.607","0.002","11.353","0.002","83.08","0.03","74.54","0.03","69.67","0.03","1138.3","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cu Gd2 N4 O34 -","- C32 H20 Cu Gd2 N4 O34 -","- C32 H20 Cu Gd2 N4 O34 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0277","0.0265","","","0.0957","0.0992","","","","","","1.026","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201620","9.815","0.002","10.285","0.002","10.957","0.002","70.75","0.03","85.05","0.03","71.09","0.03","987.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H16 Cu Gd2 N4 O26 -","- C32 H16 Cu Gd2 N4 O26 -","- C32 H16 Cu Gd2 N4 O26 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0832","0.0704","","","0.1866","0.2011","","","","","","1.071","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201621","10.414","0.002","10.615","0.002","11.317","0.002","83.45","0.03","75.04","0.03","69.61","0.03","1132.5","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cu Ho2 N4 O34 -","- C32 H20 Cu Ho2 N4 O34 -","- C32 H20 Cu Ho2 N4 O34 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0312","0.0293","","","0.0861","0.0941","","","","","","1.042","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201622","9.795","0.002","10.221","0.002","10.94","0.002","70.8","0.03","84.87","0.03","71.5","0.03","980.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H16 Cu Ho2 N4 O26 -","- C32 H16 Cu Ho2 N4 O26 -","- C32 H16 Cu Ho2 N4 O26 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0619","0.0574","","","0.1676","0.1717","","","","","","1.061","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201623","10.5","0.002","10.635","0.002","11.373","0.002","82.98","0.03","74.42","0.03","69.6","0.03","1146","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cu Eu2 N4 O34 -","- C32 H20 Cu Eu2 N4 O34 -","- C32 H20 Cu Eu2 N4 O34 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0322","0.0299","","","0.0908","0.0975","","","","","","1.15","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201624","9.838","0.002","10.222","0.002","11.026","0.002","71.83","0.03","84.19","0.03","71.53","0.03","999.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H16 Cu Eu2 N4 O26 -","- C32 H16 Cu Eu2 N4 O26 -","- C32 H16 Cu Eu2 N4 O26 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0845","0.0777","","","0.207","0.213","","","","","","1.072","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201625","10.528","0.002","10.671","0.002","11.378","0.002","83.14","0.03","74.61","0.03","69.34","0.03","1152.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cu N4 O34 Sm2 -","- C32 H20 Cu N4 O34 Sm2 -","- C32 H20 Cu N4 O34 Sm2 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0347","0.0331","","","0.1209","0.1218","","","","","","1.052","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201626","9.849","0.002","10.341","0.002","10.999","0.002","70.72","0.03","84.8","0.03","70.78","0.03","998.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H16 Cu N4 O26 Sm2 -","- C32 H16 Cu N4 O26 Sm2 -","- C32 H16 Cu N4 O26 Sm2 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0703","0.0661","","","0.1739","0.178","","","","","","1.028","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201627","10.546","0.002","10.653","0.002","11.422","0.002","82.68","0.03","74.1","0.03","69.42","0.03","1154.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cu N4 Nd2 O34 -","- C32 H20 Cu N4 Nd2 O34 -","- C32 H20 Cu N4 Nd2 O34 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0393","0.0365","","","0.095","0.0963","","","","","","1.095","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201628","9.849","0.002","10.44","0.002","11.057","0.002","70.65","0.03","84.44","0.03","70.73","0.03","1012.5","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H16 Cu N4 Nd2 O26 -","- C32 H16 Cu N4 Nd2 O26 -","- C32 H16 Cu N4 Nd2 O26 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0949","0.0861","","","0.1988","0.2053","","","","","","0.987","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201629","10.399","0.002","10.606","0.002","11.3","0.002","83.5","0.03","75.15","0.03","69.62","0.03","1128.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cu Er2 N4 O34 -","- C32 H20 Cu Er2 N4 O34 -","- C32 H20 Cu Er2 N4 O34 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0319","0.031","","","0.0981","0.1005","","","","","","1.028","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201630","9.779","0.002","10.195","0.002","10.951","0.002","70.27","0.03","86.24","0.03","71.41","0.03","973","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H16 Cu Er2 N4 O26 -","- C32 H16 Cu Er2 N4 O26 -","- C32 H16 Cu Er2 N4 O26 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0468","0.0428","","","0.1294","0.1383","","","","","","0.994","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201631","10.845","0.002","12.041","0.002","13.634","0.003","108.07","0.03","108.82","0.03","103.88","0.03","1483.4","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 Cu La N3 O22 -","- C24 H18 Cu La N3 O22 -","- C48 H36 Cu2 La2 N6 O44 -","2","1","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0247","0.022","","","0.0726","0.0777","","","","","","1.053","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201632","9.835","0.002","10.322","0.002","10.979","0.002","70.75","0.03","84.63","0.03","70.97","0.03","994.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H16 Cu La2 N4 O26 -","- C32 H16 Cu La2 N4 O26 -","- C32 H16 Cu La2 N4 O26 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0863","0.0773","","","0.1889","0.1957","","","","","","1.075","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201633","10.445","0.002","10.636","0.002","11.326","0.002","83.28","0.03","74.83","0.03","69.6","0.03","1137.8","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cu N4 O34 Tb2 -","- C32 H20 Cu N4 O34 Tb2 -","- C32 H20 Cu N4 O34 Tb2 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0288","0.0273","","","0.08","0.0843","","","","","","1.062","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201634","9.829","0.002","10.242","0.002","10.948","0.002","70.76","0.03","84.94","0.03","71.26","0.03","985.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H16 Cu N4 O26 Tb2 -","- C32 H16 Cu N4 O26 Tb2 -","- C32 H16 Cu N4 O26 Tb2 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0631","0.0579","","","0.1525","0.1561","","","","","","1.056","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201635","10.425","0.002","10.62","0.002","11.323","0.002","83.41","0.03","74.96","0.03","69.67","0.03","1134.8","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cu Dy2 N4 O34 -","- C32 H20 Cu Dy2 N4 O34 -","- C32 H20 Cu Dy2 N4 O34 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0273","0.0257","","","0.0752","0.0809","","","","","","1.076","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201636","9.805","0.002","10.235","0.002","10.981","0.002","70.29","0.03","86.24","0.03","71.16","0.03","980.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H16 Cu Dy2 N4 O26 -","- C32 H16 Cu Dy2 N4 O26 -","- C32 H16 Cu Dy2 N4 O26 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.037","0.0341","","","0.1049","0.1062","","","","","","1.077","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201637","10.236","0.002","10.476","0.002","11.089","0.002","75.71","0.03","63.72","0.03","67.03","0.03","977.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H24 Ce2 Cu N4 O30 -","- C32 H24 Ce2 Cu N4 O30 -","- C32 H24 Ce2 Cu N4 O30 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0201","0.0179","","","0.0662","0.08","","","","","","1.023","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201638","10.599","0.002","10.681","0.002","11.424","0.002","82.67","0.03","74.14","0.03","69.32","0.03","1163.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cu N4 O34 Pr2 -","- C32 H20 Cu N4 O34 Pr2 -","- C32 H20 Cu N4 O34 Pr2 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0306","0.0289","","","0.0963","0.1022","","","","","","1.084","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201639","24.995","0.006","8.6663","0.0019","17.347","0.004","90","","133.949","0.017","90","","2705.3","1.3","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H48 Mn4 N8 O22 -","- C50 H48 Mn4 N8 O22 -","- C100 H96 Mn8 N16 O44 -","2","0.25","","Duan, Xianying; Cheng, Xian; Lin, Jianguo; Zang, Shuangquan; Li, Yizhi; Zhu, Chengjian; Meng, Qingjin","Three coordination polymers with helical chains based on methylenediisophthalic acid (H4MDIP)","CrystEngComm","2008","10","6","706","","10.1039/b712319a","","","0.71073","MoKα","","0.0997","0.0599","","","0.1183","0.1272","","","","","","1.061","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201640","11.4159","0.0015","15.596","0.002","28.849","0.004","90","","98.997","0.002","90","","5073.1","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H39 Mn3 N2 O23 -","- C44 H39 Mn3 N2 O23 -","- C176 H156 Mn12 N8 O92 -","4","1","","Duan, Xianying; Cheng, Xian; Lin, Jianguo; Zang, Shuangquan; Li, Yizhi; Zhu, Chengjian; Meng, Qingjin","Three coordination polymers with helical chains based on methylenediisophthalic acid (H4MDIP)","CrystEngComm","2008","10","6","706","","10.1039/b712319a","","","0.71073","MoKα","","0.1134","0.0637","","","0.1271","0.1397","","","","","","1.042","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201641","9.9387","0.0016","8.4653","0.0014","25.115","0.004","90","","90.56","0.003","90","","2112.9","0.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H44 Co5 O31 -","- C34 H44 Co5 O31 -","- C68 H88 Co10 O62 -","2","0.5","","Duan, Xianying; Cheng, Xian; Lin, Jianguo; Zang, Shuangquan; Li, Yizhi; Zhu, Chengjian; Meng, Qingjin","Three coordination polymers with helical chains based on methylenediisophthalic acid (H4MDIP)","CrystEngComm","2008","10","6","706","","10.1039/b712319a","","","0.71073","MoKα","","0.0733","0.0574","","","0.139","0.1452","","","","","","1.076","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201642","13.1506","0.0018","3.8859","0.0006","14.3115","0.0019","90","","91.548","0.01","90","","731.08","0.18","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3-chlorosalicylaldoxime","3-chlorosalicylaldoxime","","- C7 H6 Cl N O2 -","- C7 H6 Cl N O2 -","- C28 H24 Cl4 N4 O8 -","4","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.71073","MoKα","","0.0618","0.0331","","0.0831","0.0786","0.0831","","","","","","0.8005","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201643","13.9108","0.0005","7.1936","0.0003","15.6965","0.0006","90","","90","","90","","1570.73","0.11","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","3-Methoxysalicylaldoxime","3-Methoxysalicylaldoxime","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C64 H72 N8 O24 -","8","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.71073","MoKα","","0.081","0.0296","","0.1256","0.0746","0.1256","","","","","","1.1328","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201644","13.249","0.004","3.9513","0.0011","14.402","0.004","90","","90.324","0.004","90","","753.9","0.4","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Methylsalicylaldoxime","3-Methylsalicylaldoxime","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.71073","MoKα","","0.1516","0.0491","","0.131","0.1042","0.131","","","","","","0.6877","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201645","6.6132","0.0003","13.1087","0.0006","13.6382","0.0006","68.762","0.003","76.739","0.003","79.733","0.003","1066.71","0.09","298","","298","","","","","","","","","4","P -1","-P 1","2","3-tButylsalicylaldoxime","3-tButylsalicylaldoxime","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C44 H60 N4 O8 -","4","2","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.71073","MoKα","","0.1206","0.0535","","0.1344","0.1093","0.1344","","","","","","0.8468","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201646","12.998","0.003","3.6988","0.0005","13.9167","0.0016","90","","90.99","0.02","90","","668.97","0.19","298","","298","","","","1300000","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Methylsalicylaldoxime","3-Methylsalicylaldoxime","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4577","Synchrotron","","0.121","0.0763","","0.2116","0.1777","0.2116","","","","","","1.0159","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201647","12.941","0.004","3.6146","0.0005","13.7188","0.0017","90","","91.47","0.02","90","","641.5","0.2","298","","298","","","","2200000","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Methylsalicylaldoxime","3-Methylsalicylaldoxime","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4577","Synchrotron","","0.1022","0.0677","","0.1964","0.164","0.1964","","","","","","1.0253","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201648","12.878","0.004","3.5363","0.0005","13.5218","0.0016","90","","91.88","0.02","90","","615.5","0.2","298","","298","","","","3500000","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Methylsalicylaldoxime","3-Methylsalicylaldoxime","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4577","Synchrotron","","0.1299","0.0616","","0.1948","0.1423","0.1948","","","","","","1.0041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201649","12.831","0.003","3.5096","0.0004","13.4462","0.0013","90","","92.1","0.02","90","","605.1","0.17","298","","298","","","","4200000","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Methylsalicylaldoxime","3-Methylsalicylaldoxime","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4577","Synchrotron","","0.1608","0.0758","","0.24","0.1729","0.24","","","","","","0.9604","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201650","12.766","0.007","3.4872","0.0009","13.382","0.003","90","","92.27","0.04","90","","595.3","0.4","298","","298","","","","4900000","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Methylsalicylaldoxime","3-Methylsalicylaldoxime","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4577","Synchrotron","","0.1606","0.0987","","0.3178","0.2423","0.3178","","","","","","0.9284","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201651","12.75","0.004","3.4482","0.0006","13.291","0.0018","90","","92.45","0.02","90","","583.8","0.2","298","","298","","","","5600000","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Methylsalicylaldoxime","3-Methylsalicylaldoxime","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4577","Synchrotron","","0.1285","0.0589","","0.1739","0.1374","0.1739","","","","","","1.023","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201652","6.5597","0.0007","12.8532","0.0009","13.479","0.002","69.311","0.01","76.054","0.01","79.035","0.006","1024.9","0.2","298","","298","","","","200000","","","","","4","P -1","-P 1","2","3-tButylsalicylaldoxime","3-tButylsalicylaldoxime","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C44 H60 N4 O8 -","4","2","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4869","synchrotron","","0.1207","0.0615","","0.2004","0.1388","0.2004","","","","","","0.9155","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201653","14.811","0.003","6.4564","0.0007","19.759","0.004","90","","94.06","0.008","90","","1884.7","0.6","298","","298","","","","1000000","","","","","4","I 1 2/a 1","-I 2ya","15","3-tButylsalicylaldoxime","3-tButylsalicylaldoxime","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C88 H120 N8 O16 -","8","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4869","synchrotron","","0.1138","0.0621","","0.2058","0.1603","0.2058","","","","","","0.9548","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201654","14.5745","0.0013","6.3779","0.0004","19.0922","0.0018","90","","94.882","0.004","90","","1768.3","0.3","298","","298","","","","2300000","","","","","4","I 1 2/a 1","-I 2ya","15","3-tButylsalicylaldoxime","3-tButylsalicylaldoxime","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C88 H120 N8 O16 -","8","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4869","synchrotron","","0.1063","0.064","","0.2247","0.1715","0.2247","","","","","","0.9844","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201655","14.3941","0.0014","6.3329","0.0004","18.725","0.0019","90","","95.325","0.005","90","","1699.5","0.3","298","","298","","","","3400000","","","","","4","I 1 2/a 1","-I 2ya","15","3-tButylsalicylaldoxime","3-tButylsalicylaldoxime","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C88 H120 N8 O16 -","8","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4869","synchrotron","","0.092","0.0559","","0.1838","0.1438","0.1838","","","","","","0.9545","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201656","14.271","0.004","6.303","0.0009","18.459","0.005","90","","95.59","0.015","90","","1652.5","0.7","298","","298","","","","4600000","","","","","4","I 1 2/a 1","-I 2ya","15","3-tButylsalicylaldoxime","3-tButylsalicylaldoxime","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C88 H120 N8 O16 -","8","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4869","synchrotron","","0.1084","0.0673","","0.239","0.1829","0.239","","","","","","0.9765","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201657","14.101","0.003","6.2699","0.0006","18.158","0.003","90","","95.817","0.01","90","","1597.1","0.5","298","","298","","","","6200000","","","","","4","I 1 2/a 1","-I 2ya","15","3-tButylsalicylaldoxime","3-tButylsalicylaldoxime","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C88 H120 N8 O16 -","8","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4869","synchrotron","","0.0896","0.0531","","0.1634","0.1303","0.1634","","","","","","0.9538","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201658","12.843","0.003","3.6613","0.0003","13.7921","0.0016","90","","92.603","0.013","90","","647.86","0.18","298","","298","","","","1600000","","","","","5","P 1 21/c 1","-P 2ybc","14","3-chlorosalicylaldoxime","3-chlorosalicylaldoxime","","- C7 H6 Cl N O2 -","- C7 H6 Cl N O2 -","- C28 H24 Cl4 N4 O8 -","4","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.71073","MoKα","","0.0746","0.0578","","0.1577","0.1476","0.1577","","","","","","1.0232","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201659","12.748","0.002","3.5954","0.0003","13.6496","0.0015","90","","93.115","0.013","90","","624.69","0.13","298","","298","","","","2400000","","","","","5","P 1 21/c 1","-P 2ybc","14","3-chlorosalicylaldoxime","3-chlorosalicylaldoxime","","- C7 H6 Cl N O2 -","- C7 H6 Cl N O2 -","- C28 H24 Cl4 N4 O8 -","4","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.71073","MoKα","","0.0592","0.0463","","0.1213","0.1141","0.1213","","","","","","1.028","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201660","12.652","0.004","3.5295","0.0004","13.509","0.002","90","","93.64","0.02","90","","602","0.2","298","","298","","","","3400000","","","","","5","P 1 21/c 1","-P 2ybc","14","3-chlorosalicylaldoxime","3-chlorosalicylaldoxime","","- C7 H6 Cl N O2 -","- C7 H6 Cl N O2 -","- C28 H24 Cl4 N4 O8 -","4","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.71073","MoKα","","0.0973","0.0775","","0.2271","0.2099","0.2271","","","","","","1.0203","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201661","12.544","0.006","3.4424","0.0008","13.365","0.005","90","","94.44","0.04","90","","575.4","0.4","298","","298","","","","5000000","","","","","5","P 1 21/c 1","-P 2ybc","14","3-chlorosalicylaldoxime","3-chlorosalicylaldoxime","","- C7 H6 Cl N O2 -","- C7 H6 Cl N O2 -","- C28 H24 Cl4 N4 O8 -","4","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.71073","MoKα","","0.0775","0.045","","0.1234","0.1039","0.1234","","","","","","0.9958","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201662","13.0765","0.0005","7.0982","0.0004","15.2455","0.0005","90","","90","","90","","1415.08","0.11","298","","298","","","","1400000","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C64 H72 N8 O24 -","8","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4872","synchrotron","","0.0857","0.0464","","0.1526","0.1218","0.1526","","","","","","0.9357","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201663","12.5814","0.0004","7.0265","0.0004","15.0188","0.0004","90","","90","","90","","1327.71","0.09","298","","298","","","","2700000","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C64 H72 N8 O24 -","8","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4872","synchrotron","","0.0679","0.0408","","0.1193","0.0969","0.1193","","","","","","0.9038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201664","12.3113","0.0005","6.98","0.0004","14.8947","0.0005","90","","90","","90","","1279.94","0.1","298","","298","","","","4400000","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C64 H72 N8 O24 -","8","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4872","synchrotron","","0.0863","0.0488","","0.1619","0.1252","0.1619","","","","","","0.8651","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201665","12.134","0.0013","6.9421","0.0011","14.8065","0.0013","90","","90","","90","","1247.2","0.3","298","","298","","","","5300000","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C64 H72 N8 O24 -","8","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4872","synchrotron","","0.0696","0.0476","","0.1436","0.123","0.1436","","","","","","0.8503","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201666","12.0702","0.0005","6.92","0.0005","14.7703","0.0005","90","","90","","90","","1233.7","0.11","298","","298","","","","6000000","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C64 H72 N8 O24 -","8","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4872","synchrotron","","0.0717","0.0417","","0.1113","0.089","0.1113","","","","","","0.9001","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201668","6.8481","0.0014","11.662","0.002","13.675","0.003","107.123","0.004","99.175","0.004","90.909","0.003","1028.1","0.4","297","2","297","2","","","","","","","","4","P -1","-P 1","2","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate","","- C21 H16 Br2 O8 -","- C21 H16 Br2 O8 -","- C42 H32 Br4 O16 -","2","1","","Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Crystal-to-crystal transformation amongst dimorphs of racemic 2,6-di-O-(p-halo benzoyl)-myo-inositol 1,3,5-orthoformates that achieves halogen bonding contacts","CrystEngComm","2008","10","3","288","","10.1039/b712528c","","","0.71073","MoKα","","0.0652","0.0405","","","0.086","0.0946","","","","","","1.023","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201669","6.794","0.005","11.545","0.009","13.565","0.01","106.843","0.011","98.733","0.012","91.059","0.012","1004.3","1.3","297","2","297","2","","","","","","","","4","P -1","-P 1","2","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate","","- C21 H16 Cl2 O8 -","- C21 H16 Cl2 O8 -","- C42 H32 Cl4 O16 -","2","1","","Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Crystal-to-crystal transformation amongst dimorphs of racemic 2,6-di-O-(p-halo benzoyl)-myo-inositol 1,3,5-orthoformates that achieves halogen bonding contacts","CrystEngComm","2008","10","3","288","","10.1039/b712528c","","","0.71073","MoKα","","0.052","0.0474","","","0.1206","0.1241","","","","","","1.078","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201670","6.825","0.003","8.33","0.004","18.181","0.009","80.744","0.009","88.609","0.009","83.038","0.01","1012.6","0.8","297","2","297","2","","","","","","","","4","P -1","-P 1","2","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate","","- C21 H16 Br2 O8 -","- C21 H16 Br2 O8 -","- C42 H32 Br4 O16 -","2","1","","Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Crystal-to-crystal transformation amongst dimorphs of racemic 2,6-di-O-(p-halo benzoyl)-myo-inositol 1,3,5-orthoformates that achieves halogen bonding contacts","CrystEngComm","2008","10","3","288","","10.1039/b712528c","","","0.71073","MoKα","","0.1264","0.0663","","","0.1491","0.1761","","","","","","0.963","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201671","6.815","0.003","8.325","0.003","17.887","0.007","80.14","0.007","87.493","0.008","83.024","0.008","992.2","0.7","297","2","297","2","","","","","","","","4","P -1","-P 1","2","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate","","- C21 H16 Cl2 O8 -","- C21 H16 Cl2 O8 -","- C42 H32 Cl4 O16 -","2","1","","Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Crystal-to-crystal transformation amongst dimorphs of racemic 2,6-di-O-(p-halo benzoyl)-myo-inositol 1,3,5-orthoformates that achieves halogen bonding contacts","CrystEngComm","2008","10","3","288","","10.1039/b712528c","","","0.71073","MoKα","","0.0954","0.0602","","","0.1212","0.1358","","","","","","1.047","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201672","8.31089","0.00009","12.15064","0.00012","8.06761","0.00009","90","","106.723","0.0008","90","","780.234","0.015","297","1","297","","","","","","","","see text","4","P 1 21/a 1","-P 2yab","14","","bis(3-acetyl-2,4-pentandionato-O2,O3)magnesium(II)","","- C14 H18 Mg O6 -","- C14 H18 Mg O6 -","- C28 H36 Mg2 O12 -","2","0.5","","Többens, Daniel M.; Hummel, Michael; Kaindl, Reinhard; Schottenberger, Herwig; Kahlenberg, Volker","Novel linear acetylpentanedionato complexes for metal‒organic framework construction","CrystEngComm","2008","10","3","327","","10.1039/b712539a","powder diffraction","","","CuKα","","","","","","","","","4.2413","","","","","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201673","13.39752","0.00015","13.43165","0.00008","8.49767","0.00004","90","","90","","90","","1529.16","0.02","296","","296","","","","","","","","see text","4","P b c a","-P 2ac 2ab","61","","bis(3-acetyl-2,4-pentandionato-O2,O3)palladium(II)","","- C14 H18 O6 Pd -","- C14 H18 O6 Pd -","- C56 H72 O24 Pd4 -","4","0.5","","Többens, Daniel M.; Hummel, Michael; Kaindl, Reinhard; Schottenberger, Herwig; Kahlenberg, Volker","Novel linear acetylpentanedionato complexes for metal‒organic framework construction","CrystEngComm","2008","10","3","327","","10.1039/b712539a","powder diffraction","","","CuKα","","","","","","","","","3.8205","","","","","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201674","5.6491","0.0001","19.5639","0.0004","22.0741","0.0005","84.2178","0.0013","88.4073","0.0014","83.6001","0.0013","2411.72","0.09","","","100","","","","","","","","","4","P -1","-P 1","2","10,11-Dihydro-5H-dibenzo(a,d)cycloheptene-5-carboxamide","10,11-Dihydro-5H-dibenzo[a,d]cycloheptene-5-carboxamide","","- C16 H15 N O -","- C16 H15 N O -","- C128 H120 N8 O8 -","8","4","","Florence, A. J.; Shankland, K.; Gelbrich, T.; Hursthouse, M. B.; Shankland, N.; Johnston, A.; Fernandes, P.; Leech, C. K.","A catemer-to-dimer structural transformation in cyheptamide","CrystEngComm","2008","10","1","26","","10.1039/b712547j","powder diffraction","","","","","","","","","","","","","2.05","","","","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201675","10.9504","0.0013","11.8398","0.0014","13.2335","0.0016","90","","90","","90","","1715.7","0.4","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H26 B F4 N3 Pd -","- C14 H26 B F4 N3 Pd -","- C56 H104 B4 F16 N12 Pd4 -","4","1","","Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions","CrystEngComm","2008","10","1","39","","10.1039/b712641g","","","0.71073","MoKα","","0.0219","0.0215","","","0.053","0.0534","","","","","","1.083","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201676","10.824","0.003","12.23","0.003","14.106","0.003","90","","90","","90","","1867.3","0.8","278","2","278","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H28 B F4 N3 Pd -","- C15 H28 B F4 N3 Pd -","- C60 H112 B4 F16 N12 Pd4 -","4","1","","Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions","CrystEngComm","2008","10","1","39","","10.1039/b712641g","","","0.71073","MoKα","","0.0829","0.0493","","","0.0814","0.0873","","","","","","1.041","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201677","10.3539","0.001","16.9103","0.0016","11.3615","0.0011","90","","116.461","0.002","90","","1780.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H25 B F5 N3 Pd -","- C14 H25 B F5 N3 Pd -","- C56 H100 B4 F20 N12 Pd4 -","4","1","","Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions","CrystEngComm","2008","10","1","39","","10.1039/b712641g","","","0.71073","MoKα","","0.0724","0.0551","","","0.0988","0.1039","","","","","","1.153","","","","has coordinates,has disorder","180347","2020-10-21","18:00:00",""
"7201678","8.9088","0.0009","9.5432","0.001","20.917","0.002","90","","90","","90","","1778.3","0.3","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 B F5 N3 Pd -","- C14 H25 B F5 N3 Pd -","- C56 H100 B4 F20 N12 Pd4 -","4","1","","Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions","CrystEngComm","2008","10","1","39","","10.1039/b712641g","","","0.71073","MoKα","","0.037","0.0346","","","0.0812","0.0825","","","","","","1.048","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201679","10.908","0.002","12.578","0.003","13.989","0.003","90","","90","","90","","1919.3","0.7","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H26 F6 N3 P Pd -","- C14 H26 F6 N3 P Pd -","- C56 H104 F24 N12 P4 Pd4 -","4","1","","Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions","CrystEngComm","2008","10","1","39","","10.1039/b712641g","","","0.71073","MoKα","","0.0361","0.0354","","","0.0966","0.0971","","","","","","1.103","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201680","10.839","0.0007","12.5518","0.0009","14.3611","0.001","90","","90","","90","","1953.8","0.2","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H28 F6 N3 P Pd -","- C15 H28 F6 N3 P Pd -","- C60 H112 F24 N12 P4 Pd4 -","4","1","","Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions","CrystEngComm","2008","10","1","39","","10.1039/b712641g","","","0.71073","MoKα","","0.0223","0.0221","","","0.053","0.0532","","","","","","1.097","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201681","10.777","0.003","12.438","0.003","14.353","0.003","90","","90","","90","","1923.9","0.8","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 F7 N3 P Pd -","- C14 H25 F7 N3 P Pd -","- C56 H100 F28 N12 P4 Pd4 -","4","1","","Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions","CrystEngComm","2008","10","1","39","","10.1039/b712641g","","","0.71073","MoKα","","0.035","0.0309","","","0.0734","0.0749","","","","","","1.084","","","","has coordinates,has disorder","180347","2020-10-21","18:00:00",""
"7201682","10.7696","0.0009","12.4391","0.001","14.6194","0.0012","90","","90","","90","","1958.5","0.3","153","2","153","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 Cl F6 N3 P Pd -","- C14 H25 Cl F6 N3 P Pd -","- C56 H100 Cl4 F24 N12 P4 Pd4 -","4","1","","Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions","CrystEngComm","2008","10","1","39","","10.1039/b712641g","","","0.71073","MoKα","","0.0649","0.0627","","","0.1443","0.1455","","","","","","1.196","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201683","7.724","0.003","20.015","0.008","14.106","0.006","90","","102.012","0.009","90","","2133","1.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H28 F6 N3 O P Pd -","- C15 H28 F6 N3 O P Pd -","- C60 H112 F24 N12 O4 P4 Pd4 -","4","1","","Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions","CrystEngComm","2008","10","1","39","","10.1039/b712641g","","","0.71073","MoKα","","0.134","0.0614","","","0.1061","0.1245","","","","","","1.001","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201684","7.598","0.0005","20.5971","0.0014","13.8222","0.0009","90","","105.038","0.002","90","","2089.1","0.2","130","2","130","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C15 H28 F6 N3 O P Pd -","- C15 H28 F6 N3 O P Pd -","- C60 H112 F24 N12 O4 P4 Pd4 -","4","2","","Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions","CrystEngComm","2008","10","1","39","","10.1039/b712641g","","","0.71073","MoKα","","0.048","0.0437","","","0.0934","0.0956","","","","","","1.018","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201685","11.6744","0.0017","14.108","0.002","11.9538","0.0018","90","","96.137","0.004","90","","1957.5","0.5","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H26 F3 N3 O3 Pd S -","- C15 H26 F3 N3 O3 Pd S -","- C60 H104 F12 N12 O12 Pd4 S4 -","4","1","","Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions","CrystEngComm","2008","10","1","39","","10.1039/b712641g","","","0.71073","MoKα","","0.0386","0.0352","","","0.0848","0.0865","","","","","","1.057","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201686","11.6452","0.0013","14.3172","0.0013","12.0277","0.0013","90","","96.018","0.004","90","","1994.3","0.4","130","2","130","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C15 H26 F3 N3 O3 Pd S -","- C15 H26 F3 N3 O3 Pd S -","- C60 H104 F12 N12 O12 Pd4 S4 -","4","2","","Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions","CrystEngComm","2008","10","1","39","","10.1039/b712641g","","","0.71073","MoKα","","0.0928","0.0602","","","0.0954","0.1055","","","","","","0.999","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201687","11.8517","0.0007","10.8528","0.0007","9.1258","0.0005","90","","111.267","0.002","90","","1093.86","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 N3 O3 S -","- C8 H13 N3 O3 S -","- C32 H52 N12 O12 S4 -","4","1","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Isomerism and interpenetration in hydrogen-bonded network structures","CrystEngComm","2008","10","1","15","","10.1039/b712678f","","","0.6867","Synchrotron","","0.0588","0.0436","","","0.1078","0.1158","","","","","","1.019","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201688","7.287","0.0006","19.483","0.0012","14.679","0.002","90","","94.837","0.005","90","","2076.6","0.4","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 N3 O3 S -","- C8 H13 N3 O3 S -","- C64 H104 N24 O24 S8 -","8","2","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Isomerism and interpenetration in hydrogen-bonded network structures","CrystEngComm","2008","10","1","15","","10.1039/b712678f","","","0.71073","MoKα","","0.1136","0.0517","","","0.1091","0.1236","","","","","","0.994","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201689","17.3064","0.0008","17.3064","0.0008","18.5975","0.0016","90","","90","","90","","5570.2","0.6","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C4 H6 Cu2 I N3 O2 -","- C4 H6 Cu2 I N3 O2 -","- C64 H96 Cu32 I16 N48 O32 -","16","1","","Zhao, Zhen-Guo; Zhang, Jian; Wu, Xiao-Yuan; Zhai, Quan-Guo; Chen, Li-Juan; Chen, Shu-Mei; Xie, Yi-Ming; Lu, Can-Zhong","(3,4)-Connected jph-type porous framework with Cu4I4 clusters as jointing points of helices","CrystEngComm","2008","10","3","273","","10.1039/b712855j","","","0.71073","MoKα","","0.0753","0.0662","","","0.2045","0.2166","","","","","","1.056","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201690","8.7902","0.0004","8.8646","0.0004","16.0524","0.0008","90","","90","","90","","1250.83","0.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H8 N4 O2 -","- C4 H8 N4 O2 -","- C32 H64 N32 O16 -","8","1","","Zhao, Zhen-Guo; Zhang, Jian; Wu, Xiao-Yuan; Zhai, Quan-Guo; Chen, Li-Juan; Chen, Shu-Mei; Xie, Yi-Ming; Lu, Can-Zhong","(3,4)-Connected jph-type porous framework with Cu4I4 clusters as jointing points of helices","CrystEngComm","2008","10","3","273","","10.1039/b712855j","","","0.71073","MoKα","","0.0611","0.0594","","","0.1916","0.1939","","","","","","0.859","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201691","15.4037","0.0003","13.4121","0.0002","13.2831","0.0002","90","","90","","90","","2744.23","0.08","100","2","100","2","","","","","","","synthesis as described","4","A b a 2","A 2 -2ab","41","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C128 H120 N8 O24 -","8","","","Munshi, Parthapratim; Skelton, Brian W.; McKinnon, Joshua J.; Spackman, Mark A.","Polymorphism in 3-methyl-4-methoxy-4′-nitrostilbene (MMONS), a highly active NLO material","CrystEngComm","2008","10","2","197","","10.1039/b712869j","","x-ray","0.71073","MoKα","","0.0417","0.0373","","","0.0992","0.105","","","","","","1.074","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201692","11.889","0.0002","7.4118","0.0001","15.6083","0.0002","90","","103.661","0.002","90","","1336.48","0.04","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C64 H60 N4 O12 -","4","2","","Munshi, Parthapratim; Skelton, Brian W.; McKinnon, Joshua J.; Spackman, Mark A.","Polymorphism in 3-methyl-4-methoxy-4′-nitrostilbene (MMONS), a highly active NLO material","CrystEngComm","2008","10","2","197","","10.1039/b712869j","","x-ray","0.71073","MoKα","","0.0531","0.043","","","0.1193","0.1309","","","","","","1.085","","","","has coordinates,has disorder","180347","2020-10-21","18:00:00",""
"7201693","7.2691","0.0005","14.0308","0.0012","26.229","0.002","90","","90","","90","","2675.1","0.4","100","2","100","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C128 H120 N8 O24 -","8","1","","Munshi, Parthapratim; Skelton, Brian W.; McKinnon, Joshua J.; Spackman, Mark A.","Polymorphism in 3-methyl-4-methoxy-4′-nitrostilbene (MMONS), a highly active NLO material","CrystEngComm","2008","10","2","197","","10.1039/b712869j","","x-ray","0.71073","MoKα","","0.1045","0.0551","","","0.1045","0.1231","","","","","","1.044","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201694","7.894","0.002","21.662","0.006","7.747","0.002","90","","115.645","0.004","90","","1194.2","0.5","291","2","291","2","","","","","","","see text","3","C 1 c 1","C -2yc","9","(3aR*,4R*,9R*,9aS*)-9-(hydroxymethyl)-2,2-dimethyl-3a,4,9,9a- tetrahydrocycloocta(d)(1,3)dioxol-4-ol","(3aR*,4R*,9R*,9aS*)-9-(hydroxymethyl)-2,2-dimethyl- 3a,4,9,9a-tetrahydrocycloocta[d][1,3]dioxol-4-ol","","- C12 H18 O4 -","- C12 H18 O4 -","- C48 H72 O16 -","4","1","","Mehta, Goverdhan; Sen, Saikat; Pallavi, Kotapalli","Understanding the self-assembling process in crystalline cyclooctitols: an insight into the conformational flexibility of medium-sized rings","CrystEngComm","2008","10","5","534","","10.1039/b712877k","","x-ray","0.71073","MoKα","","0.0404","0.0364","","","0.0855","0.0875","","","","","","1.159","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201695","8.8996","0.0016","14.342","0.003","19.65","0.004","90","","102.262","0.003","90","","2450.9","0.8","291","2","296","2","","","","","","","see text","3","P 1 21/n 1","-P 2yn","14","(3aS*,4S*,9S*,9aR*)-9-(hydroxymethyl)-2,2-dimethyl- 3a,4,7,8,9,9a-hexahydro-cycloocta(d)(1,3)dioxol-4-ol","(3aS*,4S*,9S*,9aR*)-9-(hydroxymethyl)-2,2-dimethyl-3a,4,7,8,9,9a-hexahydro- cycloocta[d][1,3]dioxol-4-ol","","- C12 H20 O4 -","- C12 H20 O4 -","- C96 H160 O32 -","8","2","","Mehta, Goverdhan; Sen, Saikat; Pallavi, Kotapalli","Understanding the self-assembling process in crystalline cyclooctitols: an insight into the conformational flexibility of medium-sized rings","CrystEngComm","2008","10","5","534","","10.1039/b712877k","","","0.71073","MoKa","","0.0775","0.0514","","","0.1025","0.1101","","","","","","1.07","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201696","4.9452","0.0001","32.404","0.0008","12.472","0.0004","90","","95.869","0.003","90","","1988.09","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N3 O9 -","- C21 H17 N3 O9 -","- C84 H68 N12 O36 -","4","1","","Baruah, Jubaraj B.; Karmakar, Anirban; Barooah, Nilotpal","Solvent induced symmetry non-equivalence in the crystal lattice of 7-carboxymethyl-1,3,6,8-tetraoxo-3,6,7,8-tetrahydro-1H-benzo[lmn][3,8]phenathrolin-2-yl) acetic acid","CrystEngComm","2008","10","2","151","","10.1039/b712967j","","","0.71073","MoKα","","0.0852","0.0468","","","0.1123","0.1336","","","","","","1.023","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201697","5.0358","0.0004","31.895","0.003","6.6096","0.0006","90","","105.033","0.004","90","","1025.28","0.16","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C20 H16 N2 O9 S -","- C20 H16 N2 O9 S -","- C40 H32 N4 O18 S2 -","2","0.5","","Baruah, Jubaraj B.; Karmakar, Anirban; Barooah, Nilotpal","Solvent induced symmetry non-equivalence in the crystal lattice of 7-carboxymethyl-1,3,6,8-tetraoxo-3,6,7,8-tetrahydro-1H-benzo[lmn][3,8]phenathrolin-2-yl) acetic acid","CrystEngComm","2008","10","2","151","","10.1039/b712967j","","","0.71073","MoKα","","0.1554","0.088","","","0.2664","0.321","","","","","","1.035","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201698","8.6581","0.0003","14.2343","0.0017","39.083","0.006","97.681","0.012","95.21","0.005","104.377","0.005","4585.2","0.9","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C84.3 H74.15 Cu2 Fe2 N26.15 O31.85 -","- C84.3 H62.45 Cu2 Fe2 N26.15 O31.85 -","- C168.6 H124.9 Cu4 Fe4 N52.3 O63.7 -","2","1","","Beves, Jonathon E.; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","A one-dimensional copper(ii) coordination polymer containing [Fe(pytpy)2]2+ (pytpy = 4′-(4-pyridyl)-2,2′:6′,2″-terpyridine) as an expanded 4,4′-bipyridine ligand: a hydrogen-bonded network penetrated by rod-like polymers","CrystEngComm","2008","10","3","344","","10.1039/b713001e","","","0.71073","MoKα","","0.0997","0.0685","","0.088","0.0602","0.0602","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201699","8.926","0.007","16.448","0.013","12.652","0.01","90","","97.353","0.009","90","","1842","3","298","2","298","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C11 H15 Fe2 O8 P S2 -","- C11 H15 Fe2 O8 P S2 -","- C44 H60 Fe8 O32 P4 S8 -","4","2","","Li, Ping; Wang, Mei; Chen, Lin; Wang, Ning; Zhang, Tingting; Sun, Licheng","Supramolecular self-assembly of a [2Fe2S] complex with a hydrophilic phosphine ligand","CrystEngComm","2008","10","3","267","","10.1039/b713159c","","","0.71073","MoKα","","0.0361","0.0339","","","0.0929","0.0946","","","","","","1.018","","","","has coordinates,has disorder","180347","2020-10-21","18:00:00",""
"7201700","13.7009","0.0018","7.8374","0.001","7.4351","0.0007","90","","105.238","0.01","90","","770.31","0.16","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 Cl6 N2 Pb2 -","- C6 H10 Cl6 N2 Pb2 -","- C12 H20 Cl12 N4 Pb4 -","2","0.5","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Inorganic‒organic hybrid salts of diaminobenzenes and related cations","CrystEngComm","2008","10","5","577","","10.1039/b713261a","","","0.71073","MoKα","","0.0355","0.0252","","","0.0773","0.0971","","","","","","1.329","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201701","9.6706","0.0012","10.9982","0.0011","14.791","0.0016","95.696","0.009","101.053","0.01","99.407","0.009","1509.3","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H10 Cl14 Hg6 N2 O2 -","- C6 H10 Cl14 Hg6 N2 O2 -","- C12 H20 Cl28 Hg12 N4 O4 -","2","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Inorganic‒organic hybrid salts of diaminobenzenes and related cations","CrystEngComm","2008","10","5","577","","10.1039/b713261a","","","0.71073","MoKα","","0.042","0.0216","","","0.0534","0.0714","","","","","","0.983","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201702","5.8696","0.0005","11.4163","0.0011","21.257","0.002","90","","95.871","0.007","90","","1416.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H14 Cl4 N2 Pb -","- C8 H14 Cl4 N2 Pb -","- C32 H56 Cl16 N8 Pb4 -","4","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Inorganic‒organic hybrid salts of diaminobenzenes and related cations","CrystEngComm","2008","10","5","577","","10.1039/b713261a","","","0.71073","MoKα","","0.0285","0.0171","","","0.0369","0.0568","","","","","","1.011","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201703","11.0672","0.0011","19.9418","0.0015","11.9459","0.0017","90","","107.754","0.011","90","","2510.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 Cl10 Hg4 N2 O -","- C8 H14 Cl10 Hg4 N2 O -","- C32 H56 Cl40 Hg16 N8 O4 -","4","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Inorganic‒organic hybrid salts of diaminobenzenes and related cations","CrystEngComm","2008","10","5","577","","10.1039/b713261a","","","0.71073","MoKα","","0.0831","0.0287","","","0.0521","0.0655","","","","","","0.914","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201704","12.2479","0.0003","11.372","0.0003","20.7255","0.0004","90","","90.632","0.002","90","","2886.54","0.12","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H38 Cl6 N4 O Pb -","- C20 H38 Cl6 N4 O Pb -","- C80 H152 Cl24 N16 O4 Pb4 -","4","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Inorganic‒organic hybrid salts of diaminobenzenes and related cations","CrystEngComm","2008","10","5","577","","10.1039/b713261a","","","0.71073","MoKα","","0.0146","0.0109","","","0.0242","0.0244","","","","","","1.064","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201705","17.7932","0.0006","11.6083","0.0004","7.8582","0.0002","90","","90","","90","","1623.1","0.09","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H20 Cl4 Cu N2 -","- C11 H20 Cl4 Cu N2 -","- C44 H80 Cl16 Cu4 N8 -","4","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Inorganic‒organic hybrid salts of diaminobenzenes and related cations","CrystEngComm","2008","10","5","577","","10.1039/b713261a","","","0.71073","MoKα","","0.018","0.0161","","","0.04","0.0402","","","","","","1.066","","","","has coordinates,has disorder","180348","2020-10-21","18:00:00",""
"7201706","6.2815","0.0002","10.2466","0.0006","13.925","0.0008","90","","95.672","0.004","90","","891.88","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17.4 Cl6 Cu2 N2.2 -","- C10 H17.4 Cl6 Cu2 N2.2 -","- C20 H34.8 Cl12 Cu4 N4.4 -","2","0.5","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Inorganic‒organic hybrid salts of diaminobenzenes and related cations","CrystEngComm","2008","10","5","577","","10.1039/b713261a","","","0.71073","MoKα","","0.0337","0.0232","","","0.052","0.0544","","","","","","1.06","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7201707","20.384","0.002","8.4343","0.0009","6.9922","0.0008","90","","93.669","0.009","90","","1199.7","0.2","130","2","130","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C6 H10 Cl4 N2 Pb -","- C6 H10 Cl4 N2 Pb -","- C24 H40 Cl16 N8 Pb4 -","4","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Inorganic‒organic hybrid salts of diaminobenzenes and related cations","CrystEngComm","2008","10","5","577","","10.1039/b713261a","","","0.71073","MoKα","","0.028","0.0157","","","0.0283","0.0298","","","","","","0.833","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201708","13.7786","0.0006","34.1194","0.0014","18.7021","0.0007","90","","90","","90","","8792.2","0.6","150","2","150","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C255 H88 Cl17 N33 Pb3 -","- C55 H88 Cl17 N33 Pb3 -","- C220 H352 Cl68 N132 Pb12 -","4","0.5","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Inorganic‒organic hybrid salts of diaminobenzenes and related cations","CrystEngComm","2008","10","5","577","","10.1039/b713261a","","","0.71073","MoKα","","0.0701","0.029","","","0.0576","0.0826","","","","","","0.907","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201709","6.2678","0.0008","10.9577","0.0015","12.7211","0.0018","72.358","0.012","79.396","0.011","75.428","0.012","800.3","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H12 Cl6 Hg2 N2 O -","- C6 H12 Cl6 Hg2 N2 O -","- C12 H24 Cl12 Hg4 N4 O2 -","2","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Inorganic‒organic hybrid salts of diaminobenzenes and related cations","CrystEngComm","2008","10","5","577","","10.1039/b713261a","","","0.71073","MoKα","","0.023","0.0177","","","0.0439","0.0558","","","","","","1.213","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201710","7.4183","0.0005","8.2559","0.0006","10.1905","0.0007","82.378","0.006","79.922","0.005","84.856","0.006","607.64","0.07","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H6 Bi Cl4 N3 -","- C6 H6 Bi Cl4 N3 -","- C12 H12 Bi2 Cl8 N6 -","2","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Inorganic‒organic hybrid salts of diaminobenzenes and related cations","CrystEngComm","2008","10","5","577","","10.1039/b713261a","","","0.71073","MoKα","","0.0325","0.0245","","","0.0621","0.0753","","","","","","1.156","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201711","7.5046","0.0007","19.506","0.002","11.7808","0.0013","90","","96.597","0.008","90","","1713.1","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(5H-dibenz(b,f)azepine-5-carboxamide)N,N-dimethyl acetamide solvate","[5H-dibenz(b,f)azepine-5-carboxamide]N,N-dimethyl acetamide solvate","","- C19 H21 N3 O2 -","- C19 H21 N3 O2 -","- C76 H84 N12 O8 -","4","1","","Johnston, Andrea; Johnston, Blair F.; Kennedy, Alan R.; Florence, Alastair J.","Targeted crystallisation of novel carbamazepine solvates based on a retrospective Random Forest classification","CrystEngComm","2008","10","1","23","","10.1039/b713373a","","","0.71073","MoKα","","0.1056","0.0676","","","0.1435","0.1642","","","","","","1.167","","","","has coordinates,has disorder","180348","2020-10-21","18:00:00",""
"7201712","7.5448","0.0004","19.5119","0.001","11.8783","0.0006","90","","98.013","0.003","90","","1731.57","0.16","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(5H-dibenz(b,f)azepine-5-carboxamide) N-methylpyrrolidine solvate","[5H-dibenz(b,f)azepine-5-carboxamide] N-methylpyrrolidine solvate","","- C20 H21 N3 O2 -","- C20 H21 N3 O2 -","- C80 H84 N12 O8 -","4","1","","Johnston, Andrea; Johnston, Blair F.; Kennedy, Alan R.; Florence, Alastair J.","Targeted crystallisation of novel carbamazepine solvates based on a retrospective Random Forest classification","CrystEngComm","2008","10","1","23","","10.1039/b713373a","","","0.71073","MoKα","","0.103","0.0545","","","0.1","0.1174","","","","","","1.062","","","","has coordinates,has disorder","180348","2020-10-21","18:00:00",""
"7201713","10.9242","0.0011","5.1617","0.0005","26.309","0.003","90","","100.104","0.002","90","","1460.5","0.3","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(5H-dibenz(b,f)azepine-5-carboxamide)nitromethane solvate","[5H-dibenz(b,f)azepine-5-carboxamide]nitromethane solvate","","- C16 H15 N3 O3 -","- C16 H15 N3 O3 -","- C64 H60 N12 O12 -","4","1","","Johnston, Andrea; Johnston, Blair F.; Kennedy, Alan R.; Florence, Alastair J.","Targeted crystallisation of novel carbamazepine solvates based on a retrospective Random Forest classification","CrystEngComm","2008","10","1","23","","10.1039/b713373a","","","0.71073","MoKα","","0.1119","0.0516","","","0.0902","0.1083","","","","","","1.057","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201714","10.067","0.005","10.289","0.005","17.046","0.007","76.54","0.03","88.64","0.03","85.93","0.03","1712.7","1.4","294","","","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H24 Br2 Cl4 N2 S -","- C36 H24 Br2 Cl4 N2 S -","- C72 H48 Br4 Cl8 N4 S2 -","2","1","","Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Kooli, Fethi; Scudder, Marcia L.","The Janus-like behaviour of sulfur in substituted diquinoline inclusion crystal structures","CrystEngComm","2008","10","3","297","","10.1039/b713533p","","","0.71073","MoKα","","","0.053","","","","0.064","","","","","","1.83","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201715","10.204","0.005","10.564","0.005","15.804","0.007","104.64","0.03","99.74","0.03","93.26","0.03","1615.6","1.3","294","","","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H30 Br2 N2 O S -","- C38 H30 Br2 N2 O S -","- C76 H60 Br4 N4 O2 S2 -","2","1","","Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Kooli, Fethi; Scudder, Marcia L.","The Janus-like behaviour of sulfur in substituted diquinoline inclusion crystal structures","CrystEngComm","2008","10","3","297","","10.1039/b713533p","","","0.71073","MoKα","","","0.065","","","","0.082","","","","","","1.68","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201716","10.001","0.006","10.437","0.005","20.029","0.008","78.18","0.03","77.99","0.03","83.9","0.02","1997.1","1.8","294","","","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H32 Br2 Cl2 N2 S -","- C46 H32 Br2 Cl2 N2 S -","- C92 H64 Br4 Cl4 N4 S2 -","2","1","","Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Kooli, Fethi; Scudder, Marcia L.","The Janus-like behaviour of sulfur in substituted diquinoline inclusion crystal structures","CrystEngComm","2008","10","3","297","","10.1039/b713533p","","","0.71073","MoKα","","","0.059","","","","0.075","","","","","","1.63","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201717","10.085","0.004","10.509","0.004","15.811","0.006","106.24","0.02","100.09","0.02","92.01","0.02","1577.7","1.1","294","","","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H24 Br2 Cl2 N2 S -","- C35 H24 Br2 Cl2 N2 S -","- C70 H48 Br4 Cl4 N4 S2 -","2","1","","Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Kooli, Fethi; Scudder, Marcia L.","The Janus-like behaviour of sulfur in substituted diquinoline inclusion crystal structures","CrystEngComm","2008","10","3","297","","10.1039/b713533p","","","0.71073","MoKα","","","0.06","","","","0.077","","","","","","1.64","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201718","9.964","0.005","10.551","0.005","15.788","0.008","104.96","0.03","99.56","0.03","97.3","0.03","1555.9","1.4","294","","","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H22 Br2 N2 S3 -","- C35 H22 Br2 N2 S3 -","- C70 H44 Br4 N4 S6 -","2","1","","Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Kooli, Fethi; Scudder, Marcia L.","The Janus-like behaviour of sulfur in substituted diquinoline inclusion crystal structures","CrystEngComm","2008","10","3","297","","10.1039/b713533p","","","0.71073","MoKα","","","0.064","","","","0.071","","","","","","1.85","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201719","21.421","0.008","8.159","0.001","17.182","0.006","90","","116.29","0.02","90","","2692.4","1.5","294","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H22 Br2 N2 S -","- C34 H22 Br2 N2 S -","- C136 H88 Br8 N8 S4 -","4","0.5","","Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Kooli, Fethi; Scudder, Marcia L.","The Janus-like behaviour of sulfur in substituted diquinoline inclusion crystal structures","CrystEngComm","2008","10","3","297","","10.1039/b713533p","","","0.71073","MoKα","","","0.047","","","","0.073","","","","","","1.75","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201720","9.7356","0.0015","26.301","0.004","10.4093","0.0018","90","","109.84","0.004","90","","2507.2","0.7","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 N2 S -","- C34 H24 N2 S -","- C136 H96 N8 S4 -","4","1","","Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Kooli, Fethi; Scudder, Marcia L.","The Janus-like behaviour of sulfur in substituted diquinoline inclusion crystal structures","CrystEngComm","2008","10","3","297","","10.1039/b713533p","","","0.71073","MoKα","","0.1687","0.0583","","","0.1199","0.1523","","","","","","0.902","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201723","12.964","0.003","10.681","0.002","22.543","0.005","90","","96.89","0.03","90","","3099","1.2","113","2","113","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,4-Di-(5H-dibenzo[a,d]cyclohepten-5-ol)-buta-1,3-diyne acetone inclusion compound","","- C40 H34 O4 -","- C40 H34 O4 -","- C160 H136 O16 -","4","0.5","","Jacobs, Ayesha; Masuku, Nana L. Z.; Nassimbeni, Luigi R.; Taljaard, Jana H.","Inclusion of pyridine and acetone by a diol host: structure, thermal stability and kinetics of desolvation","CrystEngComm","2008","10","3","322","","10.1039/b713769a","","","0.71073","MoKα","","0.0631","0.0392","","","0.095","0.1046","","","","","","1.056","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201724","12.037","0.002","8.1743","0.0016","16.658","0.003","90","","98.95","0.03","90","","1619.1","0.5","113","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Di-(5H-dibenzo[a,d]cyclohepten-5-ol)-buta-1,3-diyne pyridine inclusion compound","","- C44 H32 N2 O2 -","- C44 H32 N2 O2 -","- C88 H64 N4 O4 -","2","0.5","","Jacobs, Ayesha; Masuku, Nana L. Z.; Nassimbeni, Luigi R.; Taljaard, Jana H.","Inclusion of pyridine and acetone by a diol host: structure, thermal stability and kinetics of desolvation","CrystEngComm","2008","10","3","322","","10.1039/b713769a","","","0.71073","MoKα","","0.0986","0.0451","","","0.087","0.1011","","","","","","0.929","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201725","9.603","0.002","26.188","0.004","10.334","0.002","90","","109.838","0.003","90","","2444.6","0.8","150","","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C35 H26 N2 -","- C35 H26 N2 -","- C140 H104 N8 -","4","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","The structural convergence of two aromatic inclusion host families","CrystEngComm","2008","10","1","131","","10.1039/b713854g","","","0.71073","MoKα","","","0.052","","","","0.067","","","","","","1.65","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201726","10.34","0.004","13.73","0.004","14.37","0.005","102.34","0.02","92.6","0.02","102.99","0.02","1932.6","1.2","294","","","","","","","","","","","3","P -1","-P 1","2","","","","- C54 H42 N2 -","- C54 H42 N2 -","- C108 H84 N4 -","2","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","The structural convergence of two aromatic inclusion host families","CrystEngComm","2008","10","1","131","","10.1039/b713854g","","","0.71073","MoKα","","","0.063","","","","0.067","","","","","","1.65","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201727","10.342","0.004","13.641","0.006","14.134","0.006","103.21","0.03","93.07","0.02","103.41","0.03","1876.3","1.4","294","","","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H35 Cl3 N2 -","- C48 H35 Cl3 N2 -","- C96 H70 Cl6 N4 -","2","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","The structural convergence of two aromatic inclusion host families","CrystEngComm","2008","10","1","131","","10.1039/b713854g","","","0.71073","MoKα","","","0.06","","","","0.066","","","","","","1.68","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201728","9.0337","0.0018","9.843","0.002","15.579","0.003","90","","91.85","0.03","90","","1384.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 Hg N12 O0 -","- C10 H6 Hg N12 -","- C40 H24 Hg4 N48 -","4","1","","Tao, Ying; Li, Jian-Rong; Yu, Qun; Song, Wei-Chao; Tong, Xiao-Lan; Bu, Xian-He","Coordination architectures of 2-(1H-tetrazol-5-yl)pyrazine with group IIB metal ions: luminescence and structural dependence on the metal ions and preparing conditions","CrystEngComm","2008","10","6","699","","10.1039/b714081a","","","0.71073","MoKα","","0.0267","0.0215","","","0.0443","0.046","","","","","","1.057","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201729","10.235","0.002","9.3638","0.0019","13.445","0.003","90","","93.34","0.03","90","","1286.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 Hg N12 O0 -","- C10 H6 Hg N12 -","- C40 H24 Hg4 N48 -","4","1","","Tao, Ying; Li, Jian-Rong; Yu, Qun; Song, Wei-Chao; Tong, Xiao-Lan; Bu, Xian-He","Coordination architectures of 2-(1H-tetrazol-5-yl)pyrazine with group IIB metal ions: luminescence and structural dependence on the metal ions and preparing conditions","CrystEngComm","2008","10","6","699","","10.1039/b714081a","","","0.71073","MoKα","","0.0265","0.0228","","","0.0436","0.0448","","","","","","1.079","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201730","6.7077","0.0013","11.695","0.002","23.855","0.006","90","","90","","90","","1871.3","0.7","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H3 Br Hg N6 -","- C5 H3 Br Hg N6 -","- C40 H24 Br8 Hg8 N48 -","8","1","","Tao, Ying; Li, Jian-Rong; Yu, Qun; Song, Wei-Chao; Tong, Xiao-Lan; Bu, Xian-He","Coordination architectures of 2-(1H-tetrazol-5-yl)pyrazine with group IIB metal ions: luminescence and structural dependence on the metal ions and preparing conditions","CrystEngComm","2008","10","6","699","","10.1039/b714081a","","","0.7107","MoKα","","0.0833","0.0556","","","0.1342","0.1514","","","","","","1.007","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201735","9.7496","0.0009","19.3384","0.0012","13.2982","0.001","90","","103.445","0.003","90","","2438.5","0.3","298","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H32 N6 O4 -","- C23 H32 N6 O4 -","- C92 H128 N24 O16 -","4","1","","Srivijaya, R.; Vishweshwar, Peddy; Sreekanth, B. R.; Vyas, K.","Crystalline forms and aqueous solubilities of an IBS drug, tegaserod","CrystEngComm","2008","10","3","283","","10.1039/b714374p","","","0.7107","MoKα","","","0.0553","","","","0.0734","","","","","","1.068","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201736","7.395","0.004","11.218","0.006","20.202","0.01","90","","90","","90","","1675.9","1.5","298","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N5 O -","- C16 H23 N5 O -","- C64 H92 N20 O4 -","4","1","","Srivijaya, R.; Vishweshwar, Peddy; Sreekanth, B. R.; Vyas, K.","Crystalline forms and aqueous solubilities of an IBS drug, tegaserod","CrystEngComm","2008","10","3","283","","10.1039/b714374p","","","0.7107","MoKα","","","0.0466","","","","0.0975","","","","","","0.997","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201737","7.111","0.003","10.857","0.005","23.106","0.01","90","","93.241","0.004","90","","1781","1.4","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H25 N5 O2 -","- C16 H16 N5 O2 -","- C64 H64 N20 O8 -","4","1","","Srivijaya, R.; Vishweshwar, Peddy; Sreekanth, B. R.; Vyas, K.","Crystalline forms and aqueous solubilities of an IBS drug, tegaserod","CrystEngComm","2008","10","3","283","","10.1039/b714374p","","","0.7107","MoKα","","","0.0601","","","","0.0989","","","","","","1.083","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201738","10.049","0.005","12.328","0.007","12.493","0.007","61.25","0.02","85.985","0.019","88.86","0.02","1353.4","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 N4 O5 Zn -","- C30 H28 N4 O5 Zn -","- C60 H56 N8 O10 Zn2 -","2","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Ping, Guang-Ju","Structures of metal-organic networks based on flexible 1,1′-(1,4-butanediyl)bis(imidazole-2-phenyl) ligand","CrystEngComm","2008","10","5","565","","10.1039/b714399k","","","0.71069","MoKα","","0.0837","0.0569","","","0.1391","0.1573","","","","","","1.094","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201739","10.2794","0.0008","18.8728","0.0014","15.7393","0.0012","90","","98.595","0.002","90","","3019.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N4 O5 Zn -","- C30 H28 N4 O5 Zn -","- C120 H112 N16 O20 Zn4 -","4","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Ping, Guang-Ju","Structures of metal-organic networks based on flexible 1,1′-(1,4-butanediyl)bis(imidazole-2-phenyl) ligand","CrystEngComm","2008","10","5","565","","10.1039/b714399k","","","0.71069","MoKα","","0.1974","0.064","","","0.1364","0.1865","","","","","","0.932","","","","has coordinates,has disorder","180348","2020-10-21","18:00:00",""
"7201740","10.3356","0.0003","15.3573","0.0003","17.2719","0.0006","90","","90","","90","","2741.52","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H26 Cd N4 O4 -","- C30 H26 Cd N4 O4 -","- C120 H104 Cd4 N16 O16 -","4","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Ping, Guang-Ju","Structures of metal-organic networks based on flexible 1,1′-(1,4-butanediyl)bis(imidazole-2-phenyl) ligand","CrystEngComm","2008","10","5","565","","10.1039/b714399k","","","0.71069","MoKα","","0.0826","0.0428","","","0.0914","0.1076","","","","","","0.933","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201741","9.152","0.003","15.389","0.005","19.91","0.007","90","","92.134","0.007","90","","2802.2","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 N4 O5 Zn -","- C30 H26 N4 O5 Zn -","- C120 H104 N16 O20 Zn4 -","4","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Ping, Guang-Ju","Structures of metal-organic networks based on flexible 1,1′-(1,4-butanediyl)bis(imidazole-2-phenyl) ligand","CrystEngComm","2008","10","5","565","","10.1039/b714399k","","","0.71069","MoKα","","0.058","0.0379","","","0.0888","0.0981","","","","","","1.038","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201742","10.121","0.006","15.47","0.009","17.597","0.001","90","","90","","90","","2755","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H26 Cd N4 O5 -","- C30 H26 Cd N4 O5 -","- C120 H104 Cd4 N16 O20 -","4","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Ping, Guang-Ju","Structures of metal-organic networks based on flexible 1,1′-(1,4-butanediyl)bis(imidazole-2-phenyl) ligand","CrystEngComm","2008","10","5","565","","10.1039/b714399k","","","0.71069","MoKα","","0.122","0.0561","","","0.1052","0.1314","","","","","","0.926","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201743","17.042","0.005","10.357","0.004","14.27","0.004","90","","90","","90","","2518.7","1.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H26 N4 O5 Zn -","- C26 H26 N4 O5 Zn -","- C104 H104 N16 O20 Zn4 -","4","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Ping, Guang-Ju","Structures of metal-organic networks based on flexible 1,1′-(1,4-butanediyl)bis(imidazole-2-phenyl) ligand","CrystEngComm","2008","10","5","565","","10.1039/b714399k","","","0.71069","MoKα","","0.054","0.0356","","","0.0759","0.0818","","","","","","1.016","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201744","16.091","0.006","16.091","0.006","8.041","0.004","90","","90","","90","","2082","1.5","293","2","293","2","","","","","","","","4","P 42/n :2","-P 4bc","86","1,1'-(1,4-butanediyl)bis(imidazole-2-phenyl)dihydrate","1,1'-(1,4-butanediyl)bis(imidazole-2-phenyl)dihydrate","","- C22 H26 N4 O2 -","- C22 H26 N4 O2 -","- C88 H104 N16 O8 -","4","0.5","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Ping, Guang-Ju","Structures of metal-organic networks based on flexible 1,1′-(1,4-butanediyl)bis(imidazole-2-phenyl) ligand","CrystEngComm","2008","10","5","565","","10.1039/b714399k","","","0.71069","MoKα","","0.1678","0.0847","","","0.1273","0.1511","","","","","","1.107","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201745","9.5205","0.0019","9.4077","0.0019","11.694","0.002","90","","98.11","0.03","90","","1036.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N2 Ni O6 -","- C24 H20 N2 Ni O6 -","- C48 H40 N4 Ni2 O12 -","2","0.5","","Zhong, Rui-Qin; Zou, Ru-Qiang; Du, Miao; Jiang, Ling; Yamada, Tetsuya; Maruta, Goro; Takeda, Sadamu; Xu, Qiang","Metal‒organic coordination architectures with 3-pyridin-3-yl-benzoate: crystal structures, fluorescent emission and magnetic properties","CrystEngComm","2008","10","5","605","","10.1039/b714491a","","","0.71073","MoKα","","0.0269","0.0243","","","0.0614","0.0622","","","","","","1.054","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201746","9.915","0.002","12.442","0.003","17.504","0.004","90","","104.17","0.03","90","","2093.6","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 Ni O5 -","- C24 H16 N2 Ni O5 -","- C96 H64 N8 Ni4 O20 -","4","1","","Zhong, Rui-Qin; Zou, Ru-Qiang; Du, Miao; Jiang, Ling; Yamada, Tetsuya; Maruta, Goro; Takeda, Sadamu; Xu, Qiang","Metal‒organic coordination architectures with 3-pyridin-3-yl-benzoate: crystal structures, fluorescent emission and magnetic properties","CrystEngComm","2008","10","5","605","","10.1039/b714491a","","","0.71073","MoKα","","0.0747","0.0511","","","0.1356","0.1486","","","","","","1.109","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201747","9.5166","0.0019","9.4361","0.0019","11.74","0.002","90","","98.19","0.03","90","","1043.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Co N2 O6 -","- C24 H20 Co N2 O6 -","- C48 H40 Co2 N4 O12 -","2","0.5","","Zhong, Rui-Qin; Zou, Ru-Qiang; Du, Miao; Jiang, Ling; Yamada, Tetsuya; Maruta, Goro; Takeda, Sadamu; Xu, Qiang","Metal‒organic coordination architectures with 3-pyridin-3-yl-benzoate: crystal structures, fluorescent emission and magnetic properties","CrystEngComm","2008","10","5","605","","10.1039/b714491a","","","0.71073","MoKα","","0.0288","0.0262","","","0.0706","0.0721","","","","","","1.082","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201748","9.917","0.002","12.4","0.003","17.506","0.004","90","","104.19","0.03","90","","2087","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 O5 Zn -","- C24 H18 N2 O5 Zn -","- C96 H72 N8 O20 Zn4 -","4","1","","Zhong, Rui-Qin; Zou, Ru-Qiang; Du, Miao; Jiang, Ling; Yamada, Tetsuya; Maruta, Goro; Takeda, Sadamu; Xu, Qiang","Metal‒organic coordination architectures with 3-pyridin-3-yl-benzoate: crystal structures, fluorescent emission and magnetic properties","CrystEngComm","2008","10","5","605","","10.1039/b714491a","","","0.71073","MoKα","","0.1758","0.0679","","","0.1306","0.1637","","","","","","0.972","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201749","9.0261","0.0018","10.445","0.002","10.763","0.002","90","","100.65","0.03","90","","997.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Cu N2 O4 -","- C24 H16 Cu N2 O4 -","- C48 H32 Cu2 N4 O8 -","2","0.5","","Zhong, Rui-Qin; Zou, Ru-Qiang; Du, Miao; Jiang, Ling; Yamada, Tetsuya; Maruta, Goro; Takeda, Sadamu; Xu, Qiang","Metal‒organic coordination architectures with 3-pyridin-3-yl-benzoate: crystal structures, fluorescent emission and magnetic properties","CrystEngComm","2008","10","5","605","","10.1039/b714491a","","","0.71073","MoKα","","0.116","0.0702","","","0.1567","0.2035","","","","","","1.129","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201750","8.9065","0.0018","10.509","0.002","20.801","0.004","90","","94.5","0.03","90","","1940.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Cd N2 O4 -","- C24 H16 Cd N2 O4 -","- C96 H64 Cd4 N8 O16 -","4","1","","Zhong, Rui-Qin; Zou, Ru-Qiang; Du, Miao; Jiang, Ling; Yamada, Tetsuya; Maruta, Goro; Takeda, Sadamu; Xu, Qiang","Metal‒organic coordination architectures with 3-pyridin-3-yl-benzoate: crystal structures, fluorescent emission and magnetic properties","CrystEngComm","2008","10","5","605","","10.1039/b714491a","","","0.71073","MoKα","","0.0385","0.0292","","","0.0637","0.0668","","","","","","1.069","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201751","9.956","0.002","13.411","0.003","24.079","0.005","93.28","0.03","91.31","0.03","93.43","0.03","3202.9","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H56 Gd2 N6 O16 -","- C72 H56 Gd2 N6 O16 -","- C144 H112 Gd4 N12 O32 -","2","1","","Zhong, Rui-Qin; Zou, Ru-Qiang; Du, Miao; Jiang, Ling; Yamada, Tetsuya; Maruta, Goro; Takeda, Sadamu; Xu, Qiang","Metal‒organic coordination architectures with 3-pyridin-3-yl-benzoate: crystal structures, fluorescent emission and magnetic properties","CrystEngComm","2008","10","5","605","","10.1039/b714491a","","","0.71073","MoKα","","0.1712","0.0917","","","0.2098","0.2587","","","","","","0.994","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201757","48.1953","0.001","8.2248","0.0002","7.9892","0.0002","90","","90","","90","","3166.89","0.13","100","2","100","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C28 H36 Cd Cl6 N4 -","- C27.995 H36 Cd Cl6 N4 -","- C111.98 H144 Cd4 Cl24 N16 -","4","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structures of hybrid inorganic‒organic salts with benzidine dication derivatives","CrystEngComm","2008","10","5","525","","10.1039/b714587j","","","0.71073","MoKα","","0.0771","0.0693","","","0.1715","0.1776","","","","","","1.13","","","","has coordinates,has disorder","180348","2020-10-21","18:00:00",""
"7201758","29.3171","0.0015","6.7258","0.0002","10.7881","0.0004","90","","90","","90","","2127.21","0.15","100","2","100","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C12 H10 Cd Cl8 N2 O3 -","- C12 H10 Cd Cl7.99 N2 O3 -","- C48 H40 Cd4 Cl31.96 N8 O12 -","4","0.5","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structures of hybrid inorganic‒organic salts with benzidine dication derivatives","CrystEngComm","2008","10","5","525","","10.1039/b714587j","","","0.71073","MoKα","","0.0585","0.0498","","","0.1119","0.1135","","","","","","1.356","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201759","25.3329","0.0009","6.7202","0.0002","18.5449","0.0005","90","","90","","90","","3157.12","0.17","100","2","100","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C24 H24 Cl10 Cu N4 O2 -","- C24 H24 Cl10 Cu N4 O2 -","- C96 H96 Cl40 Cu4 N16 O8 -","4","0.5","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structures of hybrid inorganic‒organic salts with benzidine dication derivatives","CrystEngComm","2008","10","5","525","","10.1039/b714587j","","","0.71073","MoKα","","0.0376","0.0264","","","0.0545","0.0557","","","","","","0.938","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201760","10.8203","0.0009","13.0489","0.001","29.142","0.002","90","","91.024","0.006","90","","4114","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Cl8 Cu N2 O2 -","- C12 H10 Cl8 Cu N2 O2 -","- C96 H80 Cl64 Cu8 N16 O16 -","8","2","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structures of hybrid inorganic‒organic salts with benzidine dication derivatives","CrystEngComm","2008","10","5","525","","10.1039/b714587j","","","0.71073","MoKα","","0.1588","0.0948","","","0.2834","0.323","","","","","","0.957","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201761","23.7172","0.0016","6.6016","0.0006","23.7876","0.0016","90","","107.361","0.006","90","","3554.8","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Cl4 Hg N2 -","- C14 H18 Cl4 Hg N2 -","- C112 H144 Cl32 Hg8 N16 -","8","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structures of hybrid inorganic‒organic salts with benzidine dication derivatives","CrystEngComm","2008","10","5","525","","10.1039/b714587j","","","0.71073","MoKα","","0.0642","0.0282","","","0.066","0.0842","","","","","","0.986","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201762","28.384","0.006","8.0158","0.0016","7.7897","0.0016","90","","91.8","0.03","90","","1771.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Cl4 N2 Pb -","- C14 H18 Cl4 N2 Pb -","- C56 H72 Cl16 N8 Pb4 -","4","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structures of hybrid inorganic‒organic salts with benzidine dication derivatives","CrystEngComm","2008","10","5","525","","10.1039/b714587j","","","0.71073","MoKα","","0.1138","0.099","","","0.3082","0.3334","","","","","","1.358","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201763","34.087","0.007","7.9663","0.0012","7.6109","0.0012","90","","97.438","0.015","90","","2049.3","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Cl4 N Pb -","- C6 H6 Cl4 N Pb -","- C48 H48 Cl32 N8 Pb8 -","8","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structures of hybrid inorganic‒organic salts with benzidine dication derivatives","CrystEngComm","2008","10","5","525","","10.1039/b714587j","","","0.71073","MoKα","","0.1172","0.0998","","","0.3079","0.3237","","","","","","1.227","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201764","9.6773","0.0005","21.6939","0.0009","9.3825","0.0006","90","","115.312","0.002","90","","1780.64","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Cu La N2 O9.5 -","- C14 H8 Cu La N2 O9.5 -","- C56 H32 Cu4 La4 N8 O38 -","4","1","","Cheng, Jian-Wen; Zheng, Shou-Tian; Liu, Wei; Yang, Guo-Yu","An unusual eight-connected self-penetrating ilc net constructed by dinuclear lanthanide building units","CrystEngComm","2008","10","6","765","","10.1039/b715058j","","","0.71073","MoKα","","0.0323","0.0293","","","0.0752","0.0773","","","","","","1.109","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201765","19.8553","0.0005","7.898","0.0002","17.0579","0.0004","90","","95.904","0.001","90","","2660.78","0.11","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H8 F3 I N2 O2 -","- C11 H8 F3 I N2 O2 -","- C88 H64 F24 I8 N16 O16 -","8","1","","Marten, J.; Seichter, W.; Weber, E.; Böhme, U.","Crystalline packings of diketoarylhydrazones controlled by a methyl for trifluoromethyl structural change","CrystEngComm","2008","10","5","541","","10.1039/b715090c","","","0.71073","MoKα","","0.0793","0.0374","","","0.093","0.1143","","","","","","0.918","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201766","7.9355","0.0003","7.9685","0.0003","11.1563","0.0005","88.762","0.002","81.264","0.002","61.612","0.001","612.39","0.04","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H11 I N2 O2 -","- C11 H11 I N2 O2 -","- C22 H22 I2 N4 O4 -","2","1","","Marten, J.; Seichter, W.; Weber, E.; Böhme, U.","Crystalline packings of diketoarylhydrazones controlled by a methyl for trifluoromethyl structural change","CrystEngComm","2008","10","5","541","","10.1039/b715090c","","","0.71073","MoKα","","0.0744","0.0491","","","0.1781","0.1973","","","","","","1.093","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201767","19.9387","0.0006","19.9387","0.0006","6.7572","0.0003","90","","90","","90","","2686.34","0.17","93","2","93","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C44 H20 F24 I4 N8 O8 -","- C44 H20 F24 I4 N8 O8 -","- C88 H40 F48 I8 N16 O16 -","2","0.25","","Marten, J.; Seichter, W.; Weber, E.; Böhme, U.","Crystalline packings of diketoarylhydrazones controlled by a methyl for trifluoromethyl structural change","CrystEngComm","2008","10","5","541","","10.1039/b715090c","","","0.71073","MoKα","","0.0463","0.0374","","","0.098","0.1057","","","","","","1.079","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201769","7.8047","0.001","17.461","0.002","13.908","0.0017","90","","122.842","0.006","90","","1592.4","0.4","123","1","123","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[CuL2](cdm)","","","- C32 H28 Cu N10 O6 -","- C32 H28 Cu N10 O6 -","- C64 H56 Cu2 N20 O12 -","2","0.5","","Turner, David R.; Batten, Stuart R.","A guest-templated (6,3)-sheet constructed using asymmetric hydrogen-bonding anions","CrystEngComm","2008","10","2","170","","10.1039/b715135g","","","0.71073","MoKα","","0.1174","0.0863","","","0.1596","0.175","","","","","","1.218","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201770","5.792","0.0004","9.9488","0.0007","12.1657","0.0008","98.753","0.002","103.129","0.001","91.122","0.001","673.69","0.08","297","2","297","2","","","","","","","","4","P -1","-P 1","2","Recognition of Dicarboxylic Acids by 3,3/-Bipyridine Amide Based Receptors and Its Supramolecular Behavior in the Solid State","","","- C13 H18 N2 O3 -","- C13 H18 N2 O3 -","- C26 H36 N4 O6 -","2","1","","Goswami, Shyamaprosad; Jana, Subrata; Fun, Hoong-Kun","Recognition of dicarboxylic acids by 3,3′-bipyridine amide based receptors and its supramolecular behavior in solid state","CrystEngComm","2008","10","5","507","","10.1039/b715136e","","","0.71073","MoKα","","0.1151","0.058","","","0.1494","0.1851","","","","","","1.021","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201771","6.4295","0.0003","9.885","0.0004","21.8431","0.0009","90","","93.739","0.003","90","","1385.3","0.1","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 N4 O6 -","- C30 H36 N4 O6 -","- C60 H72 N8 O12 -","2","0.5","","Goswami, Shyamaprosad; Jana, Subrata; Fun, Hoong-Kun","Recognition of dicarboxylic acids by 3,3′-bipyridine amide based receptors and its supramolecular behavior in solid state","CrystEngComm","2008","10","5","507","","10.1039/b715136e","","","0.71073","MoKα","","0.0835","0.0523","","","0.1199","0.1337","","","","","","1.085","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201772","5.8375","0.0001","15.957","0.0002","10.3299","0.00001","90","","95.814","0.001","90","","957.27","0.02","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Recognition of Dicarboxylic Acids by 3,3/-Bipyridine Amide Based Receptors and Its Supramolecular Behavior in the Solid State","","","- C20 H26 N4 O2 -","- C20 H26 N4 O2 -","- C40 H52 N8 O4 -","2","0.5","","Goswami, Shyamaprosad; Jana, Subrata; Fun, Hoong-Kun","Recognition of dicarboxylic acids by 3,3′-bipyridine amide based receptors and its supramolecular behavior in solid state","CrystEngComm","2008","10","5","507","","10.1039/b715136e","","","0.71073","MoKα","","0.096","0.0578","","","0.1495","0.1702","","","","","","1.083","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201773","7.8176","0.0015","7.8319","0.0017","14.98","0.003","93.936","0.01","90.901","0.008","94.753","0.009","911.7","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H7 F3 O2 -","- C10 H7 F3 O2 -","- C40 H28 F12 O8 -","4","2","","Howard, Judith A. K.; Sparkes, Hazel A.","Trans-4-(trifluoromethyl) cinnamic acid: Structural characterisation and crystallographic investigation into the temperature induced phase transition","CrystEngComm","2008","10","5","502","","10.1039/b715349j","","","0.71073","MoKα","","0.0805","0.0509","","","0.1365","0.1604","","","","","","1.021","","","","has coordinates,has disorder","180348","2020-10-21","18:00:00",""
"7201774","7.693","0.003","7.816","0.004","15.076","0.007","94.028","0.012","90.878","0.011","94.675","0.014","901","0.7","145","2","145","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H7 F3 O2 -","- C10 H7 F3 O2 -","- C40 H28 F12 O8 -","4","2","","Howard, Judith A. K.; Sparkes, Hazel A.","Trans-4-(trifluoromethyl) cinnamic acid: Structural characterisation and crystallographic investigation into the temperature induced phase transition","CrystEngComm","2008","10","5","502","","10.1039/b715349j","","","0.71073","MoKα","","0.0711","0.0473","","","0.1325","0.1512","","","","","","1.054","","","","has coordinates,has disorder","180348","2020-10-21","18:00:00",""
"7201775","27.558","0.011","7.783","0.004","16.868","0.006","95.689","0.014","94.632","0.019","94.56","0.02","3574","3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H7 F3 O2 -","- C10 H7 F3 O2 -","- C160 H112 F48 O32 -","16","8","","Howard, Judith A. K.; Sparkes, Hazel A.","Trans-4-(trifluoromethyl) cinnamic acid: Structural characterisation and crystallographic investigation into the temperature induced phase transition","CrystEngComm","2008","10","5","502","","10.1039/b715349j","","","0.71073","MoKα","","0.1145","0.059","","","0.1466","0.1749","","","","","","1.033","","","","has coordinates,has disorder","180348","2020-10-21","18:00:00",""
"7201776","6.7881","0.0014","8.4503","0.0015","11.744","0.002","86.875","0.014","86.256","0.015","88.459","0.015","671","0.2","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 N8 O7 Pb -","- C10 H6 N8 O7 Pb -","- C20 H12 N16 O14 Pb2 -","2","1","","Sattar, Simeen; Carroll, Megan J.; Sargeant, Amy A.; Swift, Jennifer A.","Structure of a lead urate complex and its effect on the nucleation of monosodium urate monohydrate","CrystEngComm","2008","10","2","155","","10.1039/b715586g","","","0.71073","MoKα","","0.0698","0.0554","","","0.1245","0.1349","","","","","","1.083","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201777","12.6319","0.0015","9.5554","0.0014","11.0036","0.0022","90","","90","","90","","1328.2","0.4","293","","","","4780000","","","","","","","4","P c a 21","P 2c -2ac","29","cyclotrimethylene-trinitramine","cyclotrimethylene-trinitramine","","- C3 D6 N6 O6 -","- C3 D6 N6 O6 -","- C24 D48 N48 O48 -","8","2","","Davidson, Alistair J.; Oswald, Iain D. H.; Francis, Duncan J.; Lennie, Alistair R.; Marshall, William G.; Millar, David I. A.; Pulham, Colin R.; Warren, John E.; Cumming, Adam S.","Explosives under pressure—the crystal structure of γ-RDX as determined by high-pressure X-ray and neutron diffraction","CrystEngComm","2008","10","2","162","","10.1039/b715677b","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201778","12.565","0.0019","9.4769","0.0006","10.9297","0.0009","90","","90","","90","","1301.5","0.2","293","","293","","","","5200000","","","","","4","P c a 21","P 2c -2ac","29","","cyclotrimethylene-trinitramine","","- C3 H6 N6 O6 -","- C3 H6 N6 O6 -","- C24 H48 N48 O48 -","8","2","","Davidson, Alistair J.; Oswald, Iain D. H.; Francis, Duncan J.; Lennie, Alistair R.; Marshall, William G.; Millar, David I. A.; Pulham, Colin R.; Warren, John E.; Cumming, Adam S.","Explosives under pressure—the crystal structure of γ-RDX as determined by high-pressure X-ray and neutron diffraction","CrystEngComm","2008","10","2","162","","10.1039/b715677b","","","0.671","Synchrotron","","0.0893","0.0717","","0.1809","0.1723","0.1809","","","","","","0.8652","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201780","11.1193","0.0012","11.2473","0.0012","11.362","0.0012","75.651","0.002","66.119","0.001","76.991","0.002","1246.2","0.2","165","2","165","2","","","","","","","","5","P -1","-P 1","2","","","","- C14.5 H20 Co3 N2 O15.5 -","- C14.5 H7 Co3 N2 O15.5 -","- C29 H14 Co6 N4 O31 -","2","1","","Li, Zhi-Gang; Wang, Guan-Hua; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei","Constructing porous frameworks from one-dimensional cobalt‒oxygen clusters and pyridinedicarboxylate ligands adopting two rare coordination modes","CrystEngComm","2008","10","2","173","","10.1039/b715808d","","","0.71073","MoKα","","0.056","0.0468","","","0.1259","0.1325","","","","","","1.087","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201781","11.1575","0.0008","11.2606","0.0008","11.424","0.0009","76.762","0.001","65.814","0.001","80.68","0.001","1270.77","0.16","187","2","187","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Co3 N2 O11 -","- C14 H8 Co3 N2 O11 -","- C28 H16 Co6 N4 O22 -","2","1","","Li, Zhi-Gang; Wang, Guan-Hua; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei","Constructing porous frameworks from one-dimensional cobalt‒oxygen clusters and pyridinedicarboxylate ligands adopting two rare coordination modes","CrystEngComm","2008","10","2","173","","10.1039/b715808d","","","0.71073","MoKα","","0.0263","0.0243","","","0.0696","0.0706","","","","","","1.081","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201783","20.7677","0.0006","20.7677","0.0006","70.979","0.002","90","","90","","120","","26511.7","1.3","213.1","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C199 H224 N8 O16 -","- C198.99 H222.9 N8 O15.96 -","- C1193.94 H1337.4 N48 O95.76 -","6","0.166667","","Yuge, Tetsuharu; Hisaki, Ichiro; Miyata, Mikiji; Tohnai, Norimitsu","Guest-induced topological polymorphism of pseudo-cubic hydrogen bond networks—robust and adaptable supramolecular synthon","CrystEngComm","2008","10","3","263","","10.1039/b715926a","","","1.54187","CuKα","","","0.1395","","","","0.3228","","","","","","1.9","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201784","24.3976","0.0004","14.4444","0.0003","24.3798","0.0004","90","","94.7956","0.0008","90","","8561.6","0.3","213.1","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H27 N O2 -","- C24 H27 N O2 -","- C384 H432 N16 O32 -","16","2","","Yuge, Tetsuharu; Hisaki, Ichiro; Miyata, Mikiji; Tohnai, Norimitsu","Guest-induced topological polymorphism of pseudo-cubic hydrogen bond networks—robust and adaptable supramolecular synthon","CrystEngComm","2008","10","3","263","","10.1039/b715926a","","","1.54187","CuKα","","","0.0758","","","","0.2294","","","","","","1.224","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201785","14.9227","0.0011","4.41484","0.00007","10.3539","0.0003","90","","105.55","0.003","90","","657.16","0.05","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","p-azoxyanisole form II","","","?","- C14 H14 N2 O3 -","- C28 H28 N4 O6 -","2","0.5","","Janbon, Sophie; Davey, Roger J.; Shankland, Kenneth","The crystal structure of a metastable polymorph of para-azoxyanisole","CrystEngComm","2008","10","3","279","","10.1039/b715934j","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201786","11.241","0.0007","5.4821","0.0004","13.7463","0.0012","90","","107.108","0.003","90","","809.62","0.11","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 O4 -","- C10 H6 O4 -","- C40 H24 O16 -","4","1","","Mahon, Mary F.; Raithby, Paul R.; Sparkes, Hazel A.","Investigation of the factors favouring solid state [2 + 2] cycloaddition reactions; the [2 + 2] cycloaddition reaction of coumarin-3-carboxylic acid","CrystEngComm","2008","10","5","573","","10.1039/b715941b","","","0.71073","MoKα","","0.0967","0.0494","","","0.1058","0.123","","","","","","1.024","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201787","11.348","0.003","5.881","0.003","12.376","0.005","90","","113.236","0.013","90","","759","0.5","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 O8 -","- C20 H12 O8 -","- C40 H24 O16 -","2","0.5","","Mahon, Mary F.; Raithby, Paul R.; Sparkes, Hazel A.","Investigation of the factors favouring solid state [2 + 2] cycloaddition reactions; the [2 + 2] cycloaddition reaction of coumarin-3-carboxylic acid","CrystEngComm","2008","10","5","573","","10.1039/b715941b","","","0.71069","MoKα","","0.1911","0.0847","","","0.1815","0.2273","","","","","","1.047","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201788","11.3948","0.0004","5.97016","0.00019","12.4931","0.0005","90","","112.859","0.002","90","","783.15","0.05","300","","300","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 O8 -","- C10 H6 O4 -","- C40 H24 O16 -","4","1","","Mahon, Mary F.; Raithby, Paul R.; Sparkes, Hazel A.","Investigation of the factors favouring solid state [2 + 2] cycloaddition reactions; the [2 + 2] cycloaddition reaction of coumarin-3-carboxylic acid","CrystEngComm","2008","10","5","573","","10.1039/b715941b","","","1.54056","CuKα~1~","","","","","","","","","","0.48","","","","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201789","5.4997","0.0004","13.5883","0.0009","30.125","0.002","90","","90","","90","","2251.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 N O7 S -","- C21 H29 N O7 S -","- C84 H116 N4 O28 S4 -","4","1","","Wermester, Nicolas; Lambert, Olivier; Coquerel, Gérard","Preferential crystallization (AS3PC mode) of modafinic acid: an example of productivity enhancement by addition of a non-chiral base","CrystEngComm","2008","10","6","724","","10.1039/b715975g","","","0.71073","MoKα","","0.0899","0.048","","","0.1019","0.1298","","","","","","0.877","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201790","8.2078","0.0002","24.8368","0.0007","9.4738","0.0003","90","","111.853","0.001","90","","1792.51","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","2,4-hexadiyne-1,6-diol-1,6-bis(2-chlorophenyl)-1,6-diphenyl, 4-oxo(phenylacetyl)morpholine clathrate","2,4-hexadiyne-1,6-diol-1,6-bis(2-chlorophenyl)-1,6-diphenyl, 4-oxo(phenylacetyl)morpholine clathrate","","- C42 H33 Cl2 N O5 -","- C42 H33 Cl2 N O5 -","- C84 H66 Cl4 N2 O10 -","2","1","","Lavy, Tali; Sheynin, Yana; Sparkes, Hazel A.; Howard, Judith A. K.; Kaftory, Menahem","Controlled photochemical reaction of 4-oxo(phenylacetyl)morpholine and 1-(phenylglyoxylyl)piperidine in solid supramolecular systems","CrystEngComm","2008","10","6","734","","10.1039/b715981a","","","0.71073","MoKα","","0.1424","0.0584","","","0.1317","0.1565","","","","","","0.819","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201791","9.4204","0.0001","41.0982","0.0006","10.1701","0.0002","90","","91.8046","0.0007","90","","3935.52","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C47 H49 N O6 -","- C47 H49 N O6 -","- C188 H196 N4 O24 -","4","2","","Lavy, Tali; Sheynin, Yana; Sparkes, Hazel A.; Howard, Judith A. K.; Kaftory, Menahem","Controlled photochemical reaction of 4-oxo(phenylacetyl)morpholine and 1-(phenylglyoxylyl)piperidine in solid supramolecular systems","CrystEngComm","2008","10","6","734","","10.1039/b715981a","","","0.71073","MoKα","","0.1674","0.0744","","","0.1915","0.2211","","","","","","1.025","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201792","6.201","0.0003","26.667","0.0012","14.197","0.0008","90","","105.012","0.0017","90","","2267.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,1,6,6-tetrahphenyl-2,4-hexadiyne-1,6-diol, 4-Oxa-I- azabicyclo(4.2.0) octan-8-one,7-hydroxy-7-phenyl clathrate","1,1,6,6-tetrahphenyl-2,4-hexadiyne-1,6-diol, 4-Oxa-I-azabicyclo[4.2.0] octan-8-one,7-hydroxy-7-phenyl clathrate","","- C54 H48 N2 O8 -","- C54 H48 N2 O8 -","- C108 H96 N4 O16 -","2","0.5","","Lavy, Tali; Sheynin, Yana; Sparkes, Hazel A.; Howard, Judith A. K.; Kaftory, Menahem","Controlled photochemical reaction of 4-oxo(phenylacetyl)morpholine and 1-(phenylglyoxylyl)piperidine in solid supramolecular systems","CrystEngComm","2008","10","6","734","","10.1039/b715981a","","","0.71073","MoKα","","0.2152","0.0948","","","0.2364","0.2653","","","","","","1.234","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201793","13.6505","0.0004","18.1949","0.0008","10.6107","0.0006","90","","105.147","0.003","90","","2543.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,5-diphenylhydroquinone, 4-oxo(phenylacetyl)morpholine clathrate","2,5-diphenylhydroquinone, 4-oxo(phenylacetyl)morpholine clathrate","","- C30 H27 N O5 -","- C30 H27 N O5 -","- C120 H108 N4 O20 -","4","1","","Lavy, Tali; Sheynin, Yana; Sparkes, Hazel A.; Howard, Judith A. K.; Kaftory, Menahem","Controlled photochemical reaction of 4-oxo(phenylacetyl)morpholine and 1-(phenylglyoxylyl)piperidine in solid supramolecular systems","CrystEngComm","2008","10","6","734","","10.1039/b715981a","","","0.71073","MoKα","","0.155","0.0577","","","0.145","0.1722","","","","","","0.919","","","","has coordinates,has disorder","180348","2020-10-21","18:00:00",""
"7201794","9.7197","0.0003","20.9418","0.0007","15.7092","0.0004","90","","99.747","0.003","90","","3151.42","0.17","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,1,2,2-tetraphenyl-1,2-ethandiol, 1- (phenylglyoxylyl)piperidine clathrate","1,1,2,2-tetraphenyl-1,2-ethandiol, 1-(phenylglyoxylyl)piperidine clathrate","","- C39 H37 N O4 -","- C39 H37 N O4 -","- C156 H148 N4 O16 -","4","1","","Lavy, Tali; Sheynin, Yana; Sparkes, Hazel A.; Howard, Judith A. K.; Kaftory, Menahem","Controlled photochemical reaction of 4-oxo(phenylacetyl)morpholine and 1-(phenylglyoxylyl)piperidine in solid supramolecular systems","CrystEngComm","2008","10","6","734","","10.1039/b715981a","","","0.71073","MoKα","","0.0588","0.0389","","","0.121","0.1388","","","","","","0.908","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201795","5.954","0.0002","27.507","0.0007","13.705","0.0005","90","","94.731","0.0009","90","","2236.91","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,1,6,6-tetrahphenyl-2,4-hexadiyne-1,6-diol, 4- oxo(phenylacetyl)morpholine clathrate","1,1,6,6-tetrahphenyl-2,4-hexadiyne-1,6-diol, 4-oxo(phenylacetyl)morpholine clathrate","","- C54 H48 N2 O8 -","- C54 H48 N2 O8 -","- C108 H96 N4 O16 -","2","0.5","","Lavy, Tali; Sheynin, Yana; Sparkes, Hazel A.; Howard, Judith A. K.; Kaftory, Menahem","Controlled photochemical reaction of 4-oxo(phenylacetyl)morpholine and 1-(phenylglyoxylyl)piperidine in solid supramolecular systems","CrystEngComm","2008","10","6","734","","10.1039/b715981a","","","0.71073","MoKα","","0.1456","0.0482","","","0.1076","0.1321","","","","","","0.869","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201796","9.4158","0.0002","40.9669","0.001","10.249","0.0003","90","","91.7547","0.0016","90","","3951.56","0.17","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","4,5-bis(hydroxydiphenylmethyl)-2,2-dimethyl-1,3-dioxolane, 1- (phenylglyoxylyl)piperidine clathrate","4,5-bis(hydroxydiphenylmethyl)-2,2-dimethyl-1,3- dioxolane, 1-(phenylglyoxylyl)piperidine clathrate","","- C47 H49 N O6 -","- C47 H49 N O6 -","- C188 H196 N4 O24 -","4","2","","Lavy, Tali; Sheynin, Yana; Sparkes, Hazel A.; Howard, Judith A. K.; Kaftory, Menahem","Controlled photochemical reaction of 4-oxo(phenylacetyl)morpholine and 1-(phenylglyoxylyl)piperidine in solid supramolecular systems","CrystEngComm","2008","10","6","734","","10.1039/b715981a","","","0.71073","MoKα","","0.1436","0.0527","","","0.118","0.1543","","","","","","0.773","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201797","9.784","0.002","20.538","0.004","15.533","0.003","90","","100.602","0.008","90","","3068","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H37 N O4 -","- C39 H37 N O4 -","- C156 H148 N4 O16 -","4","1","","Lavy, Tali; Sheynin, Yana; Sparkes, Hazel A.; Howard, Judith A. K.; Kaftory, Menahem","Controlled photochemical reaction of 4-oxo(phenylacetyl)morpholine and 1-(phenylglyoxylyl)piperidine in solid supramolecular systems","CrystEngComm","2008","10","6","734","","10.1039/b715981a","","","0.71073","MoKα","","0.2813","0.1192","","","0.31","0.378","","","","","","0.961","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201798","39.698","0.016","48.359","0.019","3.8476","0.0016","90","","90","","90","","7386","5","298","2","298","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C288 H240 N48 O144 -","48","3","","Barsky, Inna; Bernstein, Joel","Crystal structures and characterization of the polymorphs of (2-furyl)oxoacetamide","CrystEngComm","2008","10","6","669","","10.1039/b716029a","","","0.71073","MoKα","","0.1111","0.0361","","","0.0513","0.0612","","","","","","0.813","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201799","3.7455","0.0019","7.257","0.004","11.424","0.006","90","","95.881","0.009","90","","308.9","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C12 H10 N2 O6 -","2","1","","Barsky, Inna; Bernstein, Joel","Crystal structures and characterization of the polymorphs of (2-furyl)oxoacetamide","CrystEngComm","2008","10","6","669","","10.1039/b716029a","","","0.71073","MoKα","","0.0706","0.0525","","","0.1262","0.1345","","","","","","0.927","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201800","11.6555","0.0004","14.5125","0.0005","14.5394","0.0005","76.216","0.001","71.198","0.001","81.153","0.001","2253.12","0.14","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C72 H48 Co2 Cu11 I15 N12 -","- C72 H48 Co2 Cu11 I15 N12 -","- C72 H48 Co2 Cu11 I15 N12 -","1","0.5","","Tershansy, Meredith A.; Goforth, Andrea M.; Ellsworth, Joseph M.; Smith, Mark D.; zur Loye, Hans-Conrad","[Co(phen3)]2[Cu11I15]: a mixed-metal iodocuprate containing the novel [Cu10I15]5− and [Cu12I15]3− clusters","CrystEngComm","2008","10","7","833","","10.1039/b716031c","","","0.71073","MoKα","","0.0418","0.0347","","","0.0761","0.0792","","","","","","1.05","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201803","8.601","0.0008","9.0012","0.0008","9.908","0.001","84.754","0.002","83.338","0.002","74.795","0.002","733.73","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","ZnPO-CJ36","","","- C6 H13 N3 O11 P2 Zn2 -","- C6 H13 N3 O11 P2 Zn2 -","- C12 H26 N6 O22 P4 Zn4 -","2","1","","Zhao, Lang; Li, Jiyang; Chen, Peng; Dong, Zhaojun; Yu, Jihong; Xu, Ruren","(C6H10N3O2)Zn2(HPO4)(PO4)·H2O: An inorganic network with biofunctional amino acid dl-histidine molecules","CrystEngComm","2008","10","5","497","","10.1039/b716397e","","","0.71073","MoKα","","0.0354","0.0291","","","0.0713","0.0743","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201804","9.1871","0.0005","10.5741","0.0006","12.596","0.0007","81.281","0.001","88.918","0.001","86.256","0.001","1206.87","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","phenylethylammonium fumarate-fumaric acid","","","- C24 H30 N2 O8 -","- C24 H30 N2 O8 -","- C48 H60 N4 O16 -","2","1","","Haynes, Delia A.; Pietersen, Lauren K.","Hydrogen bonding networks in ammonium carboxylate salts : the crystal structures of phenylethylammonium fumarate-fumaric acid, phenylethylammonium succinate-succinic acid and anilinium fumarate-fumaric acid","CrystEngComm","2008","10","5","518","","10.1039/b716436j","","","0.71073","MoKα","","0.0362","0.0339","","","0.0921","0.0942","","","","","","0.996","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201805","9.3231","0.0003","10.8304","0.0004","12.703","0.0005","80.931","0.003","86.268","0.003","88.868","0.003","1263.88","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","phenylethylamine succinate-succinic acid","","","- C24 H34 N2 O8 -","- C24 H34 N2 O8 -","- C48 H68 N4 O16 -","2","1","","Haynes, Delia A.; Pietersen, Lauren K.","Hydrogen bonding networks in ammonium carboxylate salts : the crystal structures of phenylethylammonium fumarate-fumaric acid, phenylethylammonium succinate-succinic acid and anilinium fumarate-fumaric acid","CrystEngComm","2008","10","5","518","","10.1039/b716436j","","","0.7107","MoKα","","0.0628","0.0439","","","0.1309","0.1374","","","","","","1.1","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201806","9.2426","0.0011","10.3797","0.0012","10.4421","0.0012","83.59","0.002","89.104","0.002","85.167","0.002","991.9","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","anilinium fumarate-fumaric acid","","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C40 H44 N4 O16 -","4","2","","Haynes, Delia A.; Pietersen, Lauren K.","Hydrogen bonding networks in ammonium carboxylate salts : the crystal structures of phenylethylammonium fumarate-fumaric acid, phenylethylammonium succinate-succinic acid and anilinium fumarate-fumaric acid","CrystEngComm","2008","10","5","518","","10.1039/b716436j","","","0.71073","MoKα","","0.0587","0.0438","","","0.1","0.1096","","","","","","1.006","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201807","8.767","0.0003","10.911","0.0004","18.319","0.0006","90","","90","","90","","1752.34","0.1","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H13 Br3 O -","- C19 H13 Br3 O -","- C76 H52 Br12 O4 -","4","1","","Schollmeyer, Dieter; Shishkin, Oleg V.; Rühl, Thomas; Vysotsky, Myroslav O.","OH‒π and halogen‒π interactions as driving forces in the crystal organisations of tri-bromo and tri-iodo trityl alcohols","CrystEngComm","2008","10","6","715","","10.1039/b716442d","","","0.71073","MoKα","","0.0695","0.0348","","","0.0544","0.0595","","","","","","0.808","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201808","8.83","0.0003","11.2826","0.0004","19.1611","0.0006","90","","90","","90","","1908.93","0.11","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H13 I3 O -","- C19 H13 I3 O -","- C76 H52 I12 O4 -","4","1","","Schollmeyer, Dieter; Shishkin, Oleg V.; Rühl, Thomas; Vysotsky, Myroslav O.","OH‒π and halogen‒π interactions as driving forces in the crystal organisations of tri-bromo and tri-iodo trityl alcohols","CrystEngComm","2008","10","6","715","","10.1039/b716442d","","","0.71069","MoKα","","0.0289","0.0276","","","0.0712","0.0718","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201809","12.2182","0.0004","20.479","0.0005","8.5939","0.0002","90","","90","","90","","2150.34","0.1","193","2","193","2","","","","","","","","5","A b m 2","A 2 -2b","39","","","","- C20 H15 Cl2 I3 O -","- C20 H15 Cl2 I3 O -","- C80 H60 Cl8 I12 O4 -","4","","","Schollmeyer, Dieter; Shishkin, Oleg V.; Rühl, Thomas; Vysotsky, Myroslav O.","OH‒π and halogen‒π interactions as driving forces in the crystal organisations of tri-bromo and tri-iodo trityl alcohols","CrystEngComm","2008","10","6","715","","10.1039/b716442d","","","0.71069","MoKα","","0.0282","0.0273","","","0.0751","0.0756","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201810","6.4517","0.0002","12.7694","0.0003","13.9219","0.0003","105.763","0.001","100.976","0.001","96.771","0.001","1066.01","0.05","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 I3 O -","- C22 H16 I3 O -","- C44 H32 I6 O2 -","2","1","","Schollmeyer, Dieter; Shishkin, Oleg V.; Rühl, Thomas; Vysotsky, Myroslav O.","OH‒π and halogen‒π interactions as driving forces in the crystal organisations of tri-bromo and tri-iodo trityl alcohols","CrystEngComm","2008","10","6","715","","10.1039/b716442d","","","0.71073","MoKα","","0.0338","0.0278","","","0.0691","0.0726","","","","","","1.032","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201811","7.067","0.007","14.125","0.014","10.167","0.01","90","","93.27","0.016","90","","1013.2","1.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H13 Cu O9 -","- C4 H13 Cu O9 -","- C16 H52 Cu4 O36 -","4","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Su, Zhong-Min","Versatile frameworks constructed from divalent metals and 1,2,3,4-butanetetracarboxylate anion: syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2008","10","7","894","","10.1039/b716476a","","","0.71069","MoKα","","0.0395","0.0347","","","0.0837","0.0861","","","","","","1.097","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201812","28.016","0.007","28.192","0.013","8.097","0.013","90","","90","","90","","6395","11","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C8 H20 Ni2 O15 -","- C8 H18 Ni2 O15 -","- C128 H288 Ni32 O240 -","16","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Su, Zhong-Min","Versatile frameworks constructed from divalent metals and 1,2,3,4-butanetetracarboxylate anion: syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2008","10","7","894","","10.1039/b716476a","","","0.71069","MoKα","","0.0348","0.0299","","","0.0651","0.0673","","","","","","1.022","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201813","13.908","0.002","8.409","0.001","13.042","0.002","90","","90","","90","","1525.3","0.4","293","2","293","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C4 H6 O6.5 Zn -","- C4 H4 O6.5 Zn -","- C32 H32 O52 Zn8 -","8","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Su, Zhong-Min","Versatile frameworks constructed from divalent metals and 1,2,3,4-butanetetracarboxylate anion: syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2008","10","7","894","","10.1039/b716476a","","","0.71069","MoKα","","0.0726","0.057","","","0.1241","0.1327","","","","","","1.096","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201814","7.702","0.001","9.705","0.002","10.387","0.005","79.397","0.003","72.326","0.006","68.933","0.005","687.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 Mn N2 O5 -","- C14 H13 Mn N2 O5 -","- C28 H26 Mn2 N4 O10 -","2","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Su, Zhong-Min","Versatile frameworks constructed from divalent metals and 1,2,3,4-butanetetracarboxylate anion: syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2008","10","7","894","","10.1039/b716476a","","","0.71069","MoKα","","0.0659","0.0461","","","0.123","0.1555","","","","","","1.072","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201815","7.655","0.005","9.7","0.007","11.09","0.006","84.068","0.002","70.758","0.002","68.703","0.003","724.2","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 Mn N2 O5 -","- C16 H13 Mn N2 O5 -","- C32 H26 Mn2 N4 O10 -","2","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Su, Zhong-Min","Versatile frameworks constructed from divalent metals and 1,2,3,4-butanetetracarboxylate anion: syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2008","10","7","894","","10.1039/b716476a","","","0.71069","MoKα","","0.063","0.0431","","","0.1102","0.1198","","","","","","1.11","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201816","11.268","0.009","13.002","0.001","14.379","0.001","90","","101.938","0.002","90","","2061.1","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N4 O6.5 Zn -","- C18 H22 N4 O6.5 Zn -","- C72 H88 N16 O26 Zn4 -","4","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Su, Zhong-Min","Versatile frameworks constructed from divalent metals and 1,2,3,4-butanetetracarboxylate anion: syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2008","10","7","894","","10.1039/b716476a","","","0.71069","MoKα","","0.0795","0.055","","","0.1463","0.1623","","","","","","1.044","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201817","10.758","0.007","7.158","0.004","16.4","0.001","90","","98.922","0.001","90","","1247.6","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 O5 Zn -","- C11 H12 N2 O5 Zn -","- C44 H48 N8 O20 Zn4 -","4","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Su, Zhong-Min","Versatile frameworks constructed from divalent metals and 1,2,3,4-butanetetracarboxylate anion: syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2008","10","7","894","","10.1039/b716476a","","","0.71069","MoKα","","0.0497","0.0331","","","0.0903","0.1165","","","","","","1.126","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201818","8.4244","0.0017","17.647","0.004","11.247","0.002","90","","104.33","0.03","90","","1620","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 N4 O5 Zn -","- C14 H6 N4 O5 Zn -","- C56 H24 N16 O20 Zn4 -","4","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Su, Zhong-Min","Versatile frameworks constructed from divalent metals and 1,2,3,4-butanetetracarboxylate anion: syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2008","10","7","894","","10.1039/b716476a","","","0.71073","MoKα","","0.0686","0.0496","","","0.1214","0.1316","","","","","","1.091","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201819","8.348","0.007","17.557","0.015","11.288","0.009","90","","103.519","0.001","90","","1609","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 Co N4 O5 -","- C14 H6 Co N4 O5 -","- C56 H24 Co4 N16 O20 -","4","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Su, Zhong-Min","Versatile frameworks constructed from divalent metals and 1,2,3,4-butanetetracarboxylate anion: syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2008","10","7","894","","10.1039/b716476a","","","0.71069","MoKα","","0.0759","0.0503","","","0.1272","0.1416","","","","","","1.012","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201821","22.9258","0.0008","22.9258","0.0008","19.46","0.0007","90","0.002","90","0.002","120","0.002","8857.7","0.6","123","2","123","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","hexaacetobis(N,N_,N__-tris(6-methyl-2-pyridyl) benzene-1,3,5- tricarboxamide)dipalladium(ii)","hexaacetobis{N,N_,N__-tris(6-methyl-2-pyridyl) benzene-1,3,5-tricarboxamide}dipalladium(II)","","- C66 H66 N12 O18 Pd3 -","- C66 H66 N12 O18 Pd3 -","- C264 H264 N48 O72 Pd12 -","4","0.333333","","Westcott, Aleema; Fisher, Julie; Harding, Lindsay P.; Hardie, Michaele J.","Flattened trigonal bipyramidal coordination assembly with trans geometry","CrystEngComm","2008","10","3","276","","10.1039/b716733b","","","0.71073","MoKα","","0.1454","0.0901","","","0.2838","0.346","","","","","","1.245","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201822","22.64","0.0011","22.64","0.0011","19.219","0.003","90","","90","","120","","8531.3","1.5","150","2","150","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","hexaacetobis(N,N_,N__-tris(6-methyl-2-pyridyl) benzene-1,3,5- tricarboxamide)dipalladium(ii)","hexaacetobis{N,N_,N__-tris(6-methyl-2-pyridyl) benzene-1,3,5-tricarboxamide}dipalladium(II)","","- C66 H66 N12 O18 Pd3 -","- C66 H66 N12 O18 Pd3 -","- C264 H264 N48 O72 Pd12 -","4","0.333333","","Westcott, Aleema; Fisher, Julie; Harding, Lindsay P.; Hardie, Michaele J.","Flattened trigonal bipyramidal coordination assembly with trans geometry","CrystEngComm","2008","10","3","276","","10.1039/b716733b","","","0.71073","MoKα","","0.1866","0.1046","","","0.2704","0.3427","","","","","","1.142","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7201823","7.0121","0.0001","8.8234","0.0001","12.7646","0.0002","90","","90","","90","","789.753","0.019","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C10 H10 Ru -","- C10 H10 Ru -","- C40 H40 Ru4 -","4","0.5","","Borissova, Alexandra O.; Antipin, Mikhail Yu.; Perekalin, Dmirtrii S.; Lyssenko, Konstantin A.","Crucial role of Ru⋯H interactions in the crystal packing of ruthenocene and its derivatives","CrystEngComm","2008","10","7","827","","10.1039/b716776h","","","0.71073","MoKα","","0.0289","0.0193","","","0.0349","0.038","","","","","","1","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201824","9.105","0.001","12.948","0.001","13.991","0.002","90","","91.51","0.01","90","","1648.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Cd N2 O4 -","- C16 H12 Cd N2 O4 -","- C64 H48 Cd4 N8 O16 -","4","1","","Michaelides, Adonis; Skoulika, Stavroula; Siskos, Michael G.","Designed self-assembly of a reactive metal‒organic framework with quasi α-Po topology","CrystEngComm","2008","10","7","817","","10.1039/b716847k","","","0.71073","MoKα","","0.0881","0.0487","","","0.1092","0.1271","","","","","","0.963","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201825","16.6305","0.0004","16.7308","0.0005","24.0702","0.0005","90","","90","","90","","6697.3","0.3","120","2","120","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","15,22-bis(dimethoxyphosphoryl)-2,5,8-trioxa- 16,21-diazatricyclo[21.4.0.0^9,14^]heptacosa- 9,11,13,23,25,27(1)-hexaene tetrahydrofuran methanol","","- C31 H52 N2 O11 P2 -","- C31 H52 N2 O11 P2 -","- C248 H416 N16 O88 P16 -","8","2","","Bilge, Selen; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; Kılıç, Zeynel; Rutherford, John S.; Shaw, Robert A.","Clathrate and channel inclusion systems co-exist in the crystal structure of a bis-C-pivot macrocycle (Z′ = 2)","CrystEngComm","2008","10","7","873","","10.1039/b716882a","","","0.71073","MoKα","","0.1371","0.0893","","","0.2263","0.2658","","","","","","1.016","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201827","12.2422","0.0009","19.391","0.0014","23.0235","0.0015","90","","110.618","0.003","90","","5115.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Zn3(NH2DBC)3(DMF)5","","","- C39 H54 N8 O19 Zn3 -","- C39 H54 N8 O19 Zn3 -","- C156 H216 N32 O76 Zn12 -","4","1","","Wang, Xiao-Feng; Zhang, Yue-Biao; Cheng, Xiao-Ning; Chen, Xiao-Ming","Two microporous metal‒organic frameworks with different topologies constructed from linear trinuclear M3(COO)n secondary building units","CrystEngComm","2008","10","6","753","","10.1039/b716922a","","","0.71073","MoKα","","0.1367","0.1036","","","0.2854","0.3201","","","","","","1.037","","","","has coordinates,has disorder","180349","2020-10-21","18:00:00",""
"7201828","34.622","0.007","10.432","0.002","18.032","0.004","90","","100.95","0.004","90","","6394","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Cd3(NH2DBC)4(Me2NH2)2(DMF)2(H2O)2.5","","","- C42 H56 Cd3 N8 O20.5 -","- C42 H56 Cd3 N8 O20.5 -","- C168 H224 Cd12 N32 O82 -","4","0.5","","Wang, Xiao-Feng; Zhang, Yue-Biao; Cheng, Xiao-Ning; Chen, Xiao-Ming","Two microporous metal‒organic frameworks with different topologies constructed from linear trinuclear M3(COO)n secondary building units","CrystEngComm","2008","10","6","753","","10.1039/b716922a","","","0.71073","MoKα","","0.0695","0.0556","","","0.1484","0.1581","","","","","","1.061","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7201829","5.82141","0.00004","5.8545","0.00004","13.85255","0.00009","90","","90","","90","","472.115","0.006","2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","perdeuteroalloxan","perdeuteroalloxan","","- C4 D2 N2 O4 -","- C4 D2 N2 O4 -","- C16 D8 N8 O16 -","4","1","","Ibberson, Richard M.; Marshall, William G.; Budd, Laura E.; Parsons, Simon; Pulham, Colin R.; Spanswick, Christopher K.","Alloxan—a new low-temperature phase determined by neutron powder diffraction","CrystEngComm","2008","10","5","465","","10.1039/b716960d","powder diffraction","neutron","","time-of-flightneutron","","","","","","","","0.04559","","1.67","","","","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201830","11.663","0.0018","6.008","0.001","13.328","0.002","90","","92.231","0.008","90","","933.2","0.3","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 N4 O -","- C10 H10 N4 O -","- C40 H40 N16 O4 -","4","1","","Legrand, Yves-Marie; Michau, Mathieu; van der Lee, Arie; Barboiu, Mihail","Homomeric and heteromeric self-assembly of hybrid ureido‒imidazole compounds","CrystEngComm","2008","10","5","490","","10.1039/b717015g","","","0.51091","synchrotron","","0.0568","0.0529","","0.0594","0.0576","0.0576","","","","","","0.9603","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201831","9.386","0.001","11.4412","0.0004","27.4207","0.0003","90","","90","","90","","2944.6","0.3","175","","175","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C14 H17 N5 O -","- C14 H17 N5 O -","- C112 H136 N40 O8 -","8","1","","Legrand, Yves-Marie; Michau, Mathieu; van der Lee, Arie; Barboiu, Mihail","Homomeric and heteromeric self-assembly of hybrid ureido‒imidazole compounds","CrystEngComm","2008","10","5","490","","10.1039/b717015g","","","0.71073","MoKα","","0.0776","0.0453","","0.0472","0.0442","0.0442","","","","","","1.0831","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201832","11.663","0.0018","6.008","0.001","17.365","0.002","90","","129.922","0.008","90","","933.2","0.3","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N4 O -","- C10 H10 N4 O -","- C40 H40 N16 O4 -","4","1","","Legrand, Yves-Marie; Michau, Mathieu; van der Lee, Arie; Barboiu, Mihail","Homomeric and heteromeric self-assembly of hybrid ureido‒imidazole compounds","CrystEngComm","2008","10","5","490","","10.1039/b717015g","","","0.51091","synchrotron","","0.0576","0.0552","","0.0569","0.056","0.056","","","","","","0.9396","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201833","11.4412","0.0004","9.386","0.001","27.4207","0.0003","90","","90","","90","","2944.6","0.3","175","","175","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H17 N5 O -","- C14 H17 N5 O -","- C112 H136 N40 O8 -","8","1","","Legrand, Yves-Marie; Michau, Mathieu; van der Lee, Arie; Barboiu, Mihail","Homomeric and heteromeric self-assembly of hybrid ureido‒imidazole compounds","CrystEngComm","2008","10","5","490","","10.1039/b717015g","","","0.71073","MoKα","","0.0772","0.0607","","0.0519","0.0506","0.0506","","","","","","1.0708","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201841","7.577","0.0008","11.0722","0.0013","15.26","0.002","90","","90.809","0.011","90","","1280.1","0.3","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,2-bis(4-pyridinium)ethane saccharinate (1:2)","","","- C26 H22 N4 O6 S2 -","- C26 H22 N4 O6 S2 -","- C52 H44 N8 O12 S4 -","2","0.5","","Sudhakar, P.; Kumar, S. Vijay; Vishweshwar, Peddy; Babu, J. Moses; Vyas, K.","Solid state structural studies of saccharin salts with some heterocyclic bases","CrystEngComm","2008","10","8","996","","10.1039/b717090d","","","0.7107","MoKα","","","0.047","","","","0.14","","","","","","1.1","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201842","13.161","0.002","5.251","0.002","18.59","0.012","90","","106.828","0.003","90","","1229.7","0.9","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,2-bis(4-pyridinium)ethylene saccharinate (1:2)","","","- C26 H20 N4 O6 S2 -","- C26 H20 N4 O6 S2 -","- C52 H40 N8 O12 S4 -","2","0.5","","Sudhakar, P.; Kumar, S. Vijay; Vishweshwar, Peddy; Babu, J. Moses; Vyas, K.","Solid state structural studies of saccharin salts with some heterocyclic bases","CrystEngComm","2008","10","8","996","","10.1039/b717090d","","","0.7107","MoKα","","","0.062","","","","0.093","","","","","","1.048","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201843","11.1261","0.001","9.3971","0.0008","9.6281","0.001","90","","99.489","0.004","90","","992.87","0.16","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N4 O6 S2 -","- C18 H20 N4 O6 S2 -","- C36 H40 N8 O12 S4 -","2","0.5","","Sudhakar, P.; Kumar, S. Vijay; Vishweshwar, Peddy; Babu, J. Moses; Vyas, K.","Solid state structural studies of saccharin salts with some heterocyclic bases","CrystEngComm","2008","10","8","996","","10.1039/b717090d","","","0.7107","MoKα","","","0.0401","","","","0.053","","","","","","0.945","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201844","7.973","0.002","15.413","0.003","9.293","0.002","90","","104.555","0.01","90","","1105.3","0.4","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,4-Dimethylpiperazinium saccharinate (1:2)","","","- C20 H24 N4 O6 S2 -","- C20 H24 N4 O6 S2 -","- C40 H48 N8 O12 S4 -","2","0.5","","Sudhakar, P.; Kumar, S. Vijay; Vishweshwar, Peddy; Babu, J. Moses; Vyas, K.","Solid state structural studies of saccharin salts with some heterocyclic bases","CrystEngComm","2008","10","8","996","","10.1039/b717090d","","","0.7107","MoKα","","","0.066","","","","0.127","","","","","","1.075","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201845","9.635","0.002","13.385","0.004","14.149","0.003","105.658","0.003","91.773","0.002","110.444","0.002","1630.4","0.7","298","","","","","","","","","","","5","P -1","-P 1","2","2,2'-dipyridiniumamine saccharinate (1:1)","","","- C17 H14 N4 O3 S -","- C17 H14 N4 O3 S -","- C68 H56 N16 O12 S4 -","4","2","","Sudhakar, P.; Kumar, S. Vijay; Vishweshwar, Peddy; Babu, J. Moses; Vyas, K.","Solid state structural studies of saccharin salts with some heterocyclic bases","CrystEngComm","2008","10","8","996","","10.1039/b717090d","","","0.7107","MoKα","","","0.052","","","","0.052","","","","","","1.255","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201846","8.3397","0.0007","10.5367","0.0009","11.5415","0.001","71.781","0.002","72.749","0.002","78.765","0.002","914.16","0.14","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 Cu I N2 S3 -","- C16 H14 Cu I N2 S3 -","- C32 H28 Cu2 I2 N4 S6 -","2","1","","Peng, Rong; Deng, Shi-Ren; Li, Mian; Li, Dan; Li, Zao-Ying","Solvent-dependent copper(i) conformational supramolecular pseudo-polymorphs based on a flexible thioether ligand","CrystEngComm","2008","10","5","590","","10.1039/b717165j","","","0.71073","MoKα","","0.0834","0.0585","","","0.1143","0.1251","","","","","","1.044","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201847","10.0063","0.0006","14.6856","0.0008","15.2104","0.0009","88.738","0.001","80.324","0.001","81.463","0.001","2178.9","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H36 Cu2 I2 N4 S6 -","- C39 H28 Cu2 I2 N4 S6 -","- C78 H56 Cu4 I4 N8 S12 -","2","1","","Peng, Rong; Deng, Shi-Ren; Li, Mian; Li, Dan; Li, Zao-Ying","Solvent-dependent copper(i) conformational supramolecular pseudo-polymorphs based on a flexible thioether ligand","CrystEngComm","2008","10","5","590","","10.1039/b717165j","","","0.71073","MoKα","","0.073","0.0527","","","0.1178","0.1322","","","","","","1.114","","","","has coordinates,has disorder","180349","2020-10-21","18:00:00",""
"7201848","12.7209","0.0006","13.0515","0.0006","16.7648","0.0008","68.655","0.001","70.397","0.001","68.19","0.001","2341.47","0.19","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H15 Cl3 Cu I N2 S3 -","- C17 H15 Cl3 Cu I N2 S3 -","- C68 H60 Cl12 Cu4 I4 N8 S12 -","4","2","","Peng, Rong; Deng, Shi-Ren; Li, Mian; Li, Dan; Li, Zao-Ying","Solvent-dependent copper(i) conformational supramolecular pseudo-polymorphs based on a flexible thioether ligand","CrystEngComm","2008","10","5","590","","10.1039/b717165j","","","0.71073","MoKα","","0.0705","0.0504","","","0.1442","0.1562","","","","","","1.082","","","","has coordinates,has disorder","180349","2020-10-21","18:00:00",""
"7201849","9.252","0.0015","16.453","0.003","14.991","0.003","90","","104.904","0.003","90","","2205.2","0.7","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 Cl2 Cu I N2 S3 -","- C17 H16 Cl2 Cu I N2 S3 -","- C68 H64 Cl8 Cu4 I4 N8 S12 -","4","1","","Peng, Rong; Deng, Shi-Ren; Li, Mian; Li, Dan; Li, Zao-Ying","Solvent-dependent copper(i) conformational supramolecular pseudo-polymorphs based on a flexible thioether ligand","CrystEngComm","2008","10","5","590","","10.1039/b717165j","","","0.71073","MoKα","","0.0701","0.0485","","","0.1244","0.1368","","","","","","1.043","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201850","7.3357","0.0015","8.5934","0.0017","13.03","0.003","84.285","0.003","79.07","0.003","76.17","0.003","781.8","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 N2 S3 -","- C16 H14 N2 S3 -","- C32 H28 N4 S6 -","2","1","","Peng, Rong; Deng, Shi-Ren; Li, Mian; Li, Dan; Li, Zao-Ying","Solvent-dependent copper(i) conformational supramolecular pseudo-polymorphs based on a flexible thioether ligand","CrystEngComm","2008","10","5","590","","10.1039/b717165j","","","0.71073","MoKα","","0.043","0.0382","","","0.0998","0.1036","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201851","19.0501","0.001","14.5809","0.0008","19.5329","0.001","90","","90","","90","","5425.6","0.5","223","2","223","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H29 Au N O P S -","- C29 H29 Au N O P S -","- C232 H232 Au8 N8 O8 P8 S8 -","8","1","","Kuan, Fong Sheen; Yei Ho, Soo; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Electronic and steric control over Au⋯Au, C‒H⋯O and C‒H⋯π interactions in the crystal structures of mononuclear triarylphosphinegold(i) carbonimidothioates: R3PAu[SC(OMe)=NR′] for R = Ph, o-tol, m-tol or p-tol, and R′ = Ph, o-tol, m-tol, p-tol or C6H4NO2-4","CrystEngComm","2008","10","5","548","","10.1039/b717198f","","","0.71069","MoKα","","0.063","0.034","","","0.072","0.083","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201852","9.5246","0.0006","11.8876","0.0007","13.279","0.0008","93.58","0.001","93.252","0.001","112.034","0.001","1385.75","0.15","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H28 Au N2 O3 P S -","- C29 H28 Au N2 O3 P S -","- C58 H56 Au2 N4 O6 P2 S2 -","2","1","","Kuan, Fong Sheen; Yei Ho, Soo; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Electronic and steric control over Au⋯Au, C‒H⋯O and C‒H⋯π interactions in the crystal structures of mononuclear triarylphosphinegold(i) carbonimidothioates: R3PAu[SC(OMe)=NR′] for R = Ph, o-tol, m-tol or p-tol, and R′ = Ph, o-tol, m-tol, p-tol or C6H4NO2-4","CrystEngComm","2008","10","5","548","","10.1039/b717198f","","","0.71069","MoKα","","0.042","0.034","","","0.089","0.097","","","","","","1.02","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201853","8.8426","0.001","10.4687","0.0012","15.2214","0.0019","74.347","0.002","82.829","0.003","81.799","0.003","1337.4","0.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H29 Au N O P S -","- C29 H29 Au N O P S -","- C58 H58 Au2 N2 O2 P2 S2 -","2","1","","Kuan, Fong Sheen; Yei Ho, Soo; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Electronic and steric control over Au⋯Au, C‒H⋯O and C‒H⋯π interactions in the crystal structures of mononuclear triarylphosphinegold(i) carbonimidothioates: R3PAu[SC(OMe)=NR′] for R = Ph, o-tol, m-tol or p-tol, and R′ = Ph, o-tol, m-tol, p-tol or C6H4NO2-4","CrystEngComm","2008","10","5","548","","10.1039/b717198f","","","0.71069","MoKα","","0.038","0.036","","","0.084","0.086","","","","","","1.12","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201854","9.7125","0.0008","11.0257","0.0009","14.7644","0.0012","111.187","0.002","103.553","0.002","97.693","0.002","1390.9","0.2","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H31 Au N O P S -","- C30 H31 Au N O P S -","- C60 H62 Au2 N2 O2 P2 S2 -","2","1","","Kuan, Fong Sheen; Yei Ho, Soo; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Electronic and steric control over Au⋯Au, C‒H⋯O and C‒H⋯π interactions in the crystal structures of mononuclear triarylphosphinegold(i) carbonimidothioates: R3PAu[SC(OMe)=NR′] for R = Ph, o-tol, m-tol or p-tol, and R′ = Ph, o-tol, m-tol, p-tol or C6H4NO2-4","CrystEngComm","2008","10","5","548","","10.1039/b717198f","","","0.71069","MoKα","","0.051","0.042","","","0.106","0.114","","","","","","1.04","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201855","7.7818","0.0005","25.6944","0.0017","14.9227","0.001","90","","95.948","0.002","90","","2967.7","0.3","223","2","223","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C29.5 H28.5 Au Cl1.5 N2 O3 P S -","- C29.5 H28 Au Cl1.5 N2 O3 P S -","- C118 H112 Au4 Cl6 N8 O12 P4 S4 -","4","1","","Kuan, Fong Sheen; Yei Ho, Soo; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Electronic and steric control over Au⋯Au, C‒H⋯O and C‒H⋯π interactions in the crystal structures of mononuclear triarylphosphinegold(i) carbonimidothioates: R3PAu[SC(OMe)=NR′] for R = Ph, o-tol, m-tol or p-tol, and R′ = Ph, o-tol, m-tol, p-tol or C6H4NO2-4","CrystEngComm","2008","10","5","548","","10.1039/b717198f","","","0.71069","MoKα","","0.073","0.045","","","0.098","0.12","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201856","8.134","0.0006","13.8225","0.0011","13.8274","0.0011","117.394","0.002","98.515","0.002","101.882","0.002","1296.92","0.18","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C27.25 H26 Au N O1.25 P S -","- C27.25 H25.75 Au N O1.25 P S -","- C54.5 H51.5 Au2 N2 O2.5 P2 S2 -","2","1","","Kuan, Fong Sheen; Yei Ho, Soo; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Electronic and steric control over Au⋯Au, C‒H⋯O and C‒H⋯π interactions in the crystal structures of mononuclear triarylphosphinegold(i) carbonimidothioates: R3PAu[SC(OMe)=NR′] for R = Ph, o-tol, m-tol or p-tol, and R′ = Ph, o-tol, m-tol, p-tol or C6H4NO2-4","CrystEngComm","2008","10","5","548","","10.1039/b717198f","","","0.71069","MoKα","","0.053","0.04","","","0.101","0.126","","","","","","1.09","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201857","10.4994","0.0007","10.7694","0.0007","12.7755","0.0008","93.047","0.001","114.068","0.001","107.663","0.001","1230.54","0.14","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H25 Au N O P S -","- C27 H25 Au N O P S -","- C54 H50 Au2 N2 O2 P2 S2 -","2","1","","Kuan, Fong Sheen; Yei Ho, Soo; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Electronic and steric control over Au⋯Au, C‒H⋯O and C‒H⋯π interactions in the crystal structures of mononuclear triarylphosphinegold(i) carbonimidothioates: R3PAu[SC(OMe)=NR′] for R = Ph, o-tol, m-tol or p-tol, and R′ = Ph, o-tol, m-tol, p-tol or C6H4NO2-4","CrystEngComm","2008","10","5","548","","10.1039/b717198f","","","0.71069","MoKα","","0.045","0.039","","","0.086","0.089","","","","","","1.06","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201858","8.1461","0.0004","13.6666","0.0006","13.685","0.0006","116.509","0.001","99.132","0.001","101.974","0.001","1277.56","0.1","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C26.5 H23.5 Au Cl1.5 N O P S -","- C26.5 H23.5 Au Cl1.5 N O P S -","- C53 H47 Au2 Cl3 N2 O2 P2 S2 -","2","1","","Kuan, Fong Sheen; Yei Ho, Soo; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Electronic and steric control over Au⋯Au, C‒H⋯O and C‒H⋯π interactions in the crystal structures of mononuclear triarylphosphinegold(i) carbonimidothioates: R3PAu[SC(OMe)=NR′] for R = Ph, o-tol, m-tol or p-tol, and R′ = Ph, o-tol, m-tol, p-tol or C6H4NO2-4","CrystEngComm","2008","10","5","548","","10.1039/b717198f","","","0.71069","MoKα","","0.052","0.047","","","0.117","0.12","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201859","18.801","0.0009","14.4703","0.0008","20.738","0.0011","90","","90","","90","","5641.9","0.5","223","2","223","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H31 Au N O P S -","- C30 H31 Au N O P S -","- C240 H248 Au8 N8 O8 P8 S8 -","8","1","","Kuan, Fong Sheen; Yei Ho, Soo; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Electronic and steric control over Au⋯Au, C‒H⋯O and C‒H⋯π interactions in the crystal structures of mononuclear triarylphosphinegold(i) carbonimidothioates: R3PAu[SC(OMe)=NR′] for R = Ph, o-tol, m-tol or p-tol, and R′ = Ph, o-tol, m-tol, p-tol or C6H4NO2-4","CrystEngComm","2008","10","5","548","","10.1039/b717198f","","","0.71069","MoKα","","0.06","0.035","","","0.074","0.083","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201860","10.591","0.0013","27.184","0.003","10.6679","0.0013","90","","113.479","0.003","90","","2817.1","0.6","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H31 Au N O P S -","- C30 H31 Au N O P S -","- C120 H124 Au4 N4 O4 P4 S4 -","4","1","","Kuan, Fong Sheen; Yei Ho, Soo; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Electronic and steric control over Au⋯Au, C‒H⋯O and C‒H⋯π interactions in the crystal structures of mononuclear triarylphosphinegold(i) carbonimidothioates: R3PAu[SC(OMe)=NR′] for R = Ph, o-tol, m-tol or p-tol, and R′ = Ph, o-tol, m-tol, p-tol or C6H4NO2-4","CrystEngComm","2008","10","5","548","","10.1039/b717198f","","","0.71069","MoKα","","0.053","0.035","","","0.08","0.087","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201861","9.7389","0.0006","15.5653","0.0011","18.5362","0.0013","90","","100.931","0.002","90","","2758.9","0.3","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 Au N O P S -","- C30 H31 Au N O P S -","- C120 H124 Au4 N4 O4 P4 S4 -","4","1","","Kuan, Fong Sheen; Yei Ho, Soo; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Electronic and steric control over Au⋯Au, C‒H⋯O and C‒H⋯π interactions in the crystal structures of mononuclear triarylphosphinegold(i) carbonimidothioates: R3PAu[SC(OMe)=NR′] for R = Ph, o-tol, m-tol or p-tol, and R′ = Ph, o-tol, m-tol, p-tol or C6H4NO2-4","CrystEngComm","2008","10","5","548","","10.1039/b717198f","","","0.71069","MoKα","","0.078","0.05","","","0.103","0.121","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201862","9.7469","0.0006","13.9711","0.0008","22.0578","0.0013","73.618","0.001","82.218","0.001","83.664","0.001","2847","0.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H28.25 Au N2 O3.125 P S -","- C29 H28 Au N2 O3.125 P S -","- C116 H112 Au4 N8 O12.5 P4 S4 -","4","2","","Kuan, Fong Sheen; Yei Ho, Soo; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Electronic and steric control over Au⋯Au, C‒H⋯O and C‒H⋯π interactions in the crystal structures of mononuclear triarylphosphinegold(i) carbonimidothioates: R3PAu[SC(OMe)=NR′] for R = Ph, o-tol, m-tol or p-tol, and R′ = Ph, o-tol, m-tol, p-tol or C6H4NO2-4","CrystEngComm","2008","10","5","548","","10.1039/b717198f","","","0.71069","MoKα","","0.088","0.045","","","0.102","0.13","","","","","","0.94","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201863","9.1522","0.0005","17.7973","0.0011","15.3855","0.0009","90","","102.508","0.001","90","","2446.6","0.2","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 Au N O P S -","- C27 H25 Au N O P S -","- C108 H100 Au4 N4 O4 P4 S4 -","4","1","","Kuan, Fong Sheen; Yei Ho, Soo; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Electronic and steric control over Au⋯Au, C‒H⋯O and C‒H⋯π interactions in the crystal structures of mononuclear triarylphosphinegold(i) carbonimidothioates: R3PAu[SC(OMe)=NR′] for R = Ph, o-tol, m-tol or p-tol, and R′ = Ph, o-tol, m-tol, p-tol or C6H4NO2-4","CrystEngComm","2008","10","5","548","","10.1039/b717198f","","","0.71069","MoKα","","0.056","0.037","","","0.08","0.085","","","","","","1.05","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201864","39.7978","0.0003","39.7978","0.0003","10.1735","0.0002","90","","90","","120","","13954.7","0.3","203","2","203","2","","","","","","","","5","R 3 :H","R 3","146","Tris(aqua-ethanol-di(mu4-terephthaloyl-bis(L- phenylalaninato))dicopper(ii)) hydrate","Tris[aqua-ethanol-di(μ4-terephthaloyl- bis(L-phenylalaninato))dicopper(II)] hydrate","","- C163 H156 Cu6 N12 O70 -","- C162.99 H156 Cu6 N12 O70.03 -","- C488.97 H468 Cu18 N36 O210.09 -","3","0.333333","","Wisser, Barbara; Chamayou, Anne-Christine; Miller, Robert; Scherer, Wolfgang; Janiak, Christoph","A chiral C3-symmetric hexanuclear triangular-prismatic copper(ii) cluster derived from a highly modular dipeptidic N,N′-terephthaloyl-bis(S-aminocarboxylato) ligand","CrystEngComm","2008","10","5","461","","10.1039/b717207a","","","0.71073","MoKα","","0.1179","0.0579","","","0.0952","0.114","","","","","","0.98","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201865","8.6831","0.0018","12.128","0.003","15.999","0.003","90","","90","","90","","1684.8","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 Mn2 O14 -","- C10 H20 Mn2 O14 -","- C40 H80 Mn8 O56 -","4","1","","Bai, Yue-Ling; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun","Structural transformations from a 1-D chain to two 3-D supramolecular isomers via crystal disassembly and reassembly","CrystEngComm","2008","10","5","472","","10.1039/b717297d","","","0.71073","MoKα","","0.0408","0.0389","","","0.0897","0.0906","","","","","","1.097","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201866","9.121","0.0019","9.3174","0.0019","10.414","0.002","90","","90","","90","","885","0.3","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H10 Mn O8 -","- C4 H10 Mn O8 -","- C16 H40 Mn4 O32 -","4","1","","Bai, Yue-Ling; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun","Structural transformations from a 1-D chain to two 3-D supramolecular isomers via crystal disassembly and reassembly","CrystEngComm","2008","10","5","472","","10.1039/b717297d","","","0.71073","MoKα","","0.0227","0.0223","","","0.0568","0.0569","","","","","","1.114","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201867","7.9539","0.0009","7.9539","0.0009","13.189","0.003","90","","90","","90","","834.4","0.2","273","2","273","2","","","","","","","","4","P 43","P 4cw","78","","","","- C4 H10 Mn O8 -","- C4 H10 Mn O8 -","- C16 H40 Mn4 O32 -","4","1","","Bai, Yue-Ling; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun","Structural transformations from a 1-D chain to two 3-D supramolecular isomers via crystal disassembly and reassembly","CrystEngComm","2008","10","5","472","","10.1039/b717297d","","","0.71073","MoKα","","0.038","0.0375","","","0.0966","0.097","","","","","","1.138","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201868","8.1839","0.0006","10.1779","0.0008","19.0655","0.0015","102.57","0.001","97.287","0.001","93.149","0.001","1531.9","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H23 N3 O10 S Zn -","- C34 H23 N3 O10 S Zn -","- C68 H46 N6 O20 S2 Zn2 -","2","1","","Gao, Xiao-Ming; Li, Dong-sheng; Wang, Ji-Jiang; Fu, Feng; Wu, Ya-Pan; Hu, Huai-Ming; Wang, Ji-Wu","A novel 1D armed-polyrotaxane chain constructed from a V-shaped tetracarboxylate ligand","CrystEngComm","2008","10","5","479","","10.1039/b717415b","","","0.71073","MoKα","","0.0469","0.0349","","","0.094","0.0977","","","","","","1.098","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201869","15.585","0.0016","20.081","0.002","19.023","0.002","90","","94.118","0.001","90","","5938.1","1.1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C80 H70 Cu10 Ge2 N16 O71 W18 -","- C80 H64 Cu10 Ge2 N16 O71 W18 -","- C160 H128 Cu20 Ge4 N32 O142 W36 -","2","0.5","","Wang, Jingping; Du, Juan; Niu, Jingyang","Novel hexanuclear copper(ii)-substituted dimeric tungstogermanates","CrystEngComm","2008","10","8","972","","10.1039/b717567a","","","0.71073","MoKα","","0.0588","0.0365","","","0.0726","0.0784","","","","","","1.004","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201870","16.3328","0.0018","20.719","0.002","18.566","0.002","90","","92.293","0.002","90","","6277.7","1.1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C96 H68 Cu10 Ge2 N16 O70 W18 -","- C96 H64 Cu10 Ge2 N16 O70 W18 -","- C192 H128 Cu20 Ge4 N32 O140 W36 -","2","0.5","","Wang, Jingping; Du, Juan; Niu, Jingyang","Novel hexanuclear copper(ii)-substituted dimeric tungstogermanates","CrystEngComm","2008","10","8","972","","10.1039/b717567a","","","0.71073","MoKα","","0.0768","0.0468","","","0.0921","0.1015","","","","","","0.885","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201875","13.579","0.01","19.011","0.011","19.341","0.01","90","","109.96","0.05","90","","4693","5","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(Pt(4'-(o-Cl-Ph)terpy)CN)SbF6","","","- C22 H14 Cl F6 N4 Pt Sb -","- C22 H14 Cl F6 N4 Pt Sb -","- C176 H112 Cl8 F48 N32 Pt8 Sb8 -","8","2","","Field, John S.; Ledwaba, Lesibana P.; Munro, Orde Q.; McMillin, David R.","Crystal structures and photoluminescent properties of the orange and yellow forms of [Pt{4′-(o-ClC6H4)trpy}(CN)]SbF6: an example of concomitant polymorphism","CrystEngComm","2008","10","6","740","","10.1039/b717655d","","","0.71073","MoKα","","0.0864","0.0533","","","0.1353","0.1557","","","","","","0.874","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201876","7.35","0.004","20.328","0.006","15.512","0.005","90","","102.55","0.03","90","","2262.3","1.6","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(Pt(4'-(o-Cl-Ph)terpy)CN)SbF6","","","- C22 H14 Cl F6 N4 Pt Sb -","- C22 H14 Cl F6 N4 Pt Sb -","- C88 H56 Cl4 F24 N16 Pt4 Sb4 -","4","1","","Field, John S.; Ledwaba, Lesibana P.; Munro, Orde Q.; McMillin, David R.","Crystal structures and photoluminescent properties of the orange and yellow forms of [Pt{4′-(o-ClC6H4)trpy}(CN)]SbF6: an example of concomitant polymorphism","CrystEngComm","2008","10","6","740","","10.1039/b717655d","","","0.71073","MoKα","","0.0426","0.0384","","","0.1279","0.1322","","","","","","1.057","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201877","11.0638","0.0011","12.9848","0.0011","19.8264","0.0008","73.838","0.015","73.607","0.011","87.276","0.018","2623","0.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H115 N6 O42.5 S6 -","- C96 H78 N6 O42.5 S6 -","- C96 H78 N6 O42.5 S6 -","1","0.5","","Liu, Yu; Li, Qiang; Guo, Dong-Sheng; Chen, Kun","Supramolecular chain-like aggregates and polymeric sandwich complexes constructed from p-sulfonatocalix[4,6]arenes with (8-hydroxy)quinoline guests","CrystEngComm","2008","10","6","675","","10.1039/b717884k","","","0.7107","MoKα","","0.1002","0.0881","","","0.2268","0.2366","","","","","","1.071","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201878","12.131","0.002","12.741","0.002","17.734","0.003","102.191","0.003","103.227","0.004","90.24","0.002","2604.1","0.7","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H120 N6 O51 S6 -","- C96 H114 N6 O51 S6 -","- C96 H114 N6 O51 S6 -","1","0.5","","Liu, Yu; Li, Qiang; Guo, Dong-Sheng; Chen, Kun","Supramolecular chain-like aggregates and polymeric sandwich complexes constructed from p-sulfonatocalix[4,6]arenes with (8-hydroxy)quinoline guests","CrystEngComm","2008","10","6","675","","10.1039/b717884k","","","0.7107","MoKα","","0.074","0.0559","","","0.1346","0.1469","","","","","","1.071","","","","has coordinates,has disorder","180349","2020-10-21","18:00:00",""
"7201879","12.9696","0.0016","23.274","0.003","20.884","0.003","90","","103.405","0.002","90","","6132.2","1.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H63 N3 O25 S4 -","- C55 H44 N3 O25 S4 -","- C220 H176 N12 O100 S16 -","4","1","","Liu, Yu; Li, Qiang; Guo, Dong-Sheng; Chen, Kun","Supramolecular chain-like aggregates and polymeric sandwich complexes constructed from p-sulfonatocalix[4,6]arenes with (8-hydroxy)quinoline guests","CrystEngComm","2008","10","6","675","","10.1039/b717884k","","","0.71073","MoKα","","0.1223","0.0719","","","0.2049","0.2642","","","","","","1.046","","","","has coordinates,has disorder","180349","2020-10-21","18:00:00",""
"7201880","11.648","0.002","13.351","0.002","14.481","0.002","81.68","0.01","89.47","0.01","69.17","0.01","2080.5","0.6","294","","","","","","","","","","","6","P -1","-P 1","2","","","","- C47 H32 Cl3 D N8 O8 -","- C47 H32 Cl3 D N8 O8 -","- C94 H64 Cl6 D2 N16 O16 -","2","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Synthesis and inclusion properties of new nitrated C2− symmetric diquinoline hosts","CrystEngComm","2008","10","7","839","","10.1039/b717948k","","","0.71073","MoKα","","","0.052","","","","0.073","","","","","","1.75","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201881","7.883","0.002","9.292","0.004","25.355","0.008","90","","90","","90","","1857.2","1.1","294","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C23 H16 N4 O4 -","- C23 H16 N4 O4 -","- C92 H64 N16 O16 -","4","0.5","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Synthesis and inclusion properties of new nitrated C2− symmetric diquinoline hosts","CrystEngComm","2008","10","7","839","","10.1039/b717948k","","x-ray","0.71073","MoKα","","","0.052","","","","0.058","","","","","","1.64","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201882","16.642","0.006","19.026","0.008","13.49","0.003","90","","90","","90","","4271","3","294","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C26.5 H20 N4 O4 -","- C26.5 H18.5 N4 O4 -","- C212 H148 N32 O32 -","8","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Synthesis and inclusion properties of new nitrated C2− symmetric diquinoline hosts","CrystEngComm","2008","10","7","839","","10.1039/b717948k","","x-ray","0.71073","MoKα","","","0.069","","","","0.072","","","","","","1.74","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201883","11.192","0.006","17.811","0.006","11.205","0.006","90","","95.81","0.03","90","","2222.1","1.8","294","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26.5 H20 N4 O4 -","- C26.5 H18.5 N4 O4 -","- C106 H74 N16 O16 -","4","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Synthesis and inclusion properties of new nitrated C2− symmetric diquinoline hosts","CrystEngComm","2008","10","7","839","","10.1039/b717948k","","","0.71073","MoKα","","","0.062","","","","0.064","","","","","","1.58","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201884","14.2094","0.0004","19.3521","0.0005","20.5649","0.0009","90","","109.282","0.004","90","","5337.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H76 Cl4 N8 O22 -","- C39 H72 Cl4 N8 O22 -","- C156 H288 Cl16 N32 O88 -","4","1","","Yang, Li-Zi; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Unusual pH value dependent encapsulation and release of water‒methanol binary guests by a cryptand host","CrystEngComm","2008","10","6","649","","10.1039/b717967g","","","0.71073","MoKα","","0.1405","0.0621","","","0.1579","0.2101","","","","","","0.995","","","","has coordinates,has disorder","180349","2020-10-21","18:00:00",""
"7201885","16.553","0.002","15.1396","0.0018","17.253","0.003","90","","90","","90","","4323.7","1","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H62 Cl2 N8 O11 -","- C36 H62 Cl2 N8 O11 -","- C144 H248 Cl8 N32 O44 -","4","1","","Yang, Li-Zi; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Unusual pH value dependent encapsulation and release of water‒methanol binary guests by a cryptand host","CrystEngComm","2008","10","6","649","","10.1039/b717967g","","","0.71073","MoKα","","0.1135","0.0589","","","0.1442","0.1736","","","","","","1.005","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201886","12.3702","0.0018","14.102","0.003","13.0089","0.0014","90","","108.853","0.009","90","","2147.6","0.6","298","2","298","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C23 H28 O6 -","- C23 H28 O6 -","- C92 H112 O24 -","4","1","","Sureshan, Kana M.; Uchimaru, Tadafumi; Yao, Yonghui; Watanabe, Yutaka","Strength from weakness: CH⋯π stabilized conformational tuning of benzyl ethers and a consequent co-operative edge-to-face CH⋯π network","CrystEngComm","2008","10","5","493","","10.1039/b718099c","","","1.54178","CuKα","","0.0606","0.0458","","","0.1183","0.128","","","","","","1.064","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7201887","12.0793","0.0004","29.4107","0.0009","23.5417","0.0008","90","","97.9242","0.0009","90","","8283.6","0.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C96 H104 N4 O12 -","- C96 H104 N4 O12 -","- C384 H416 N16 O48 -","4","1","","Kato, Shin-ichiro; Nakagaki, Takeshi; Shimasaki, Toshiaki; Shinmyozu, Teruo","Molecular tubes and capsules : Part III. The first X-ray crystallographic evidence of a cyclic aniline trimer via self-complementary N‒H⋯π interactions: the aniline inclusion both inside and outside the macrocyclic cavity","CrystEngComm","2008","10","5","483","","10.1039/b718306b","","","0.71069","MoKα","","0.1187","0.0655","","","0.1655","0.1888","","","","","","1.032","","","","has coordinates,has disorder","180349","2020-10-21","18:00:00",""
"7201888","10.817","0.002","14.977","0.003","15.724","0.002","100.72","0.006","91.127","0.008","102.965","0.008","2434.1","0.7","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C110 H120 N11 O12 -","- C110 H120 N11 O12 -","- C110 H120 N11 O12 -","1","0.5","","Kato, Shin-ichiro; Nakagaki, Takeshi; Shimasaki, Toshiaki; Shinmyozu, Teruo","Molecular tubes and capsules : Part III. The first X-ray crystallographic evidence of a cyclic aniline trimer via self-complementary N‒H⋯π interactions: the aniline inclusion both inside and outside the macrocyclic cavity","CrystEngComm","2008","10","5","483","","10.1039/b718306b","","","0.71075","MoKα","","0.0673","0.0521","","","0.1342","0.1437","","","","","","1.054","","","","has coordinates,has disorder","180349","2020-10-21","18:00:00",""
"7201889","12.119","0.002","13.598","0.003","22.21","0.004","80.328","0.003","85.395","0.003","67.725","0.003","3338.2","1.1","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H108 Gd2 N12 O92 P2 W24 -","- C60 H108 Gd2 N12 O92 P2 W24 -","- C60 H108 Gd2 N12 O92 P2 W24 -","1","0.5","","Zhang, Li-Zhi; Gu, Wen; Liu, Xin; Dong, Zhili; Li, Bing","Solid-state photopolymerization of a photochromic hybrid based on Keggin tungstophosphates","CrystEngComm","2008","10","6","652","","10.1039/b718523e","","","0.71073","MoKα","","0.1149","0.0536","","","0.092","0.1135","","","","","","1.054","","","","has coordinates,has disorder","180349","2020-10-21","18:00:00",""
"7201890","22.058","0.007","12.811","0.007","24.39","0.009","90","","107.46","0.006","90","","6575","5","294","2","273","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H54 Gd N6 O46 P W12 -","- C30 H54 Gd N6 O46 P W12 -","- C120 H216 Gd4 N24 O184 P4 W48 -","4","0.5","","Zhang, Li-Zhi; Gu, Wen; Liu, Xin; Dong, Zhili; Li, Bing","Solid-state photopolymerization of a photochromic hybrid based on Keggin tungstophosphates","CrystEngComm","2008","10","6","652","","10.1039/b718523e","","","0.71073","MoKα","","0.0599","0.0523","","","0.1212","0.1245","","","","","","1.142","","","","has coordinates,has disorder","180349","2020-10-21","18:00:00",""
"7201891","6.0417","0.001","23.07","0.004","24.165","0.004","90","","90","","90","","3368.2","1","293","2","293","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C17 H9 Cd0.5 N2 O3.5 S0.5 -","- C16.98 H9 Cd0.5 N2.02 O3.5 S0.5 -","- C135.84 H72 Cd4 N16.16 O28 S4 -","8","1","","Lian, Fen-Yan; Jiang, Fei-Long; Yuan, Da-Qiang; Chen, Jiu-Tong; Wu, Ming-Yan; Hong, Mao-Chun","Cd(II)-sulfonyldibenzoilate coordination polymers based on mono-, bi-, tri- and tetranuclear cores as nodes","CrystEngComm","2008","10","7","905","","10.1039/b718659b","","","0.71073","MoKα","","0.057","0.051","","","0.1315","0.136","","","","","","1.137","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201892","16.478","0.005","22.004","0.007","16.494","0.006","90","","114.412","0.003","90","","5446","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H36 Cd2 N4 O12 S2 -","- C52 H36 Cd2 N4 O12 S2 -","- C208 H144 Cd8 N16 O48 S8 -","4","1","","Lian, Fen-Yan; Jiang, Fei-Long; Yuan, Da-Qiang; Chen, Jiu-Tong; Wu, Ming-Yan; Hong, Mao-Chun","Cd(II)-sulfonyldibenzoilate coordination polymers based on mono-, bi-, tri- and tetranuclear cores as nodes","CrystEngComm","2008","10","7","905","","10.1039/b718659b","","","0.71073","MoKα","","0.1258","0.0843","","","0.171","0.1905","","","","","","1.147","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201893","12.354","0.003","15.312","0.003","12.315","0.003","90","","110.33","0.003","90","","2184.4","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Cd N2 O6 S -","- C24 H16 Cd N2 O6 S -","- C96 H64 Cd4 N8 O24 S4 -","4","1","","Lian, Fen-Yan; Jiang, Fei-Long; Yuan, Da-Qiang; Chen, Jiu-Tong; Wu, Ming-Yan; Hong, Mao-Chun","Cd(II)-sulfonyldibenzoilate coordination polymers based on mono-, bi-, tri- and tetranuclear cores as nodes","CrystEngComm","2008","10","7","905","","10.1039/b718659b","","","0.71073","MoKα","","0.0276","0.0224","","","0.0534","0.0562","","","","","","1.025","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201894","10.94","0.002","13.527","0.003","13.633","0.003","106.173","0.001","106.438","0.002","102.124","0.002","1764.7","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H25 Cd1.5 N2 O12 S2 -","- C38 H25 Cd1.5 N2 O12 S2 -","- C76 H50 Cd3 N4 O24 S4 -","2","1","","Lian, Fen-Yan; Jiang, Fei-Long; Yuan, Da-Qiang; Chen, Jiu-Tong; Wu, Ming-Yan; Hong, Mao-Chun","Cd(II)-sulfonyldibenzoilate coordination polymers based on mono-, bi-, tri- and tetranuclear cores as nodes","CrystEngComm","2008","10","7","905","","10.1039/b718659b","","","0.71073","MoKα","","0.0335","0.0304","","","0.0805","0.083","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201895","12.887","0.004","12.971","0.004","23.254","0.009","74.358","0.015","75.948","0.014","60.853","0.012","3240.3","1.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H46 Cd4 N2 O24 S4 -","- C69 H46 Cd4 N2 O24 S4 -","- C138 H92 Cd8 N4 O48 S8 -","2","1","","Lian, Fen-Yan; Jiang, Fei-Long; Yuan, Da-Qiang; Chen, Jiu-Tong; Wu, Ming-Yan; Hong, Mao-Chun","Cd(II)-sulfonyldibenzoilate coordination polymers based on mono-, bi-, tri- and tetranuclear cores as nodes","CrystEngComm","2008","10","7","905","","10.1039/b718659b","","","0.71073","MoKα","","0.1653","0.0928","","","0.274","0.3124","","","","","","1.066","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201896","17.076","0.01","16.577","0.009","11.809","0.007","90","","90","","90","","3343","3","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C16 H17 Cd N3 O4 -","- C16 H17 Cd N3 O4 -","- C128 H136 Cd8 N24 O32 -","8","","","Brown, Kyalamboka A.; Martin, David P.; Supkowski, Ronald M.; LaDuca, Robert L.","Two- and three-dimensional divalent metal coordination polymers constructed from 2,2-dimethylsuccinate and dipyridylamine ligands","CrystEngComm","2008","10","7","846","","10.1039/b718790d","","","0.71073","MoKα","","0.0696","0.045","","","0.0983","0.108","","","","","","1.055","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201897","16.831","0.004","10.984","0.002","19.584","0.004","90","","114.956","0.003","90","","3282.5","1.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 Co2 N6 O8 -","- C32 H32 Co2 N6 O8 -","- C128 H128 Co8 N24 O32 -","4","1","","Brown, Kyalamboka A.; Martin, David P.; Supkowski, Ronald M.; LaDuca, Robert L.","Two- and three-dimensional divalent metal coordination polymers constructed from 2,2-dimethylsuccinate and dipyridylamine ligands","CrystEngComm","2008","10","7","846","","10.1039/b718790d","","","0.71073","MoKα","","0.172","0.0782","","","0.1608","0.1944","","","","","","1.03","","","","has coordinates,has disorder","180349","2020-10-21","18:00:00",""
"7201898","11.664","0.003","15.697","0.005","17.263","0.005","90","","90","","90","","3160.7","1.6","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C16 H17 Cu N3 O4 -","- C16 H17 Cu N3 O4 -","- C128 H136 Cu8 N24 O32 -","8","","","Brown, Kyalamboka A.; Martin, David P.; Supkowski, Ronald M.; LaDuca, Robert L.","Two- and three-dimensional divalent metal coordination polymers constructed from 2,2-dimethylsuccinate and dipyridylamine ligands","CrystEngComm","2008","10","7","846","","10.1039/b718790d","","","0.71073","MoKα","","0.0487","0.0449","","","0.107","0.1084","","","","","","1.24","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201899","16.316","0.006","8.094","0.003","23.421","0.008","90","","90","","90","","3093","1.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H17 N3 Ni O4 -","- C16 H17 N3 Ni O4 -","- C128 H136 N24 Ni8 O32 -","8","1","","Brown, Kyalamboka A.; Martin, David P.; Supkowski, Ronald M.; LaDuca, Robert L.","Two- and three-dimensional divalent metal coordination polymers constructed from 2,2-dimethylsuccinate and dipyridylamine ligands","CrystEngComm","2008","10","7","846","","10.1039/b718790d","","","0.71073","MoKα","","0.0588","0.0392","","","0.0829","0.0896","","","","","","1.091","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201900","10.2844","0.0011","17.7865","0.0018","9.3905","0.001","90","","94.38","0.002","90","","1712.7","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H22 B2 Cu F8 N6 O4 -","- C34 H22 B2 Cu F8 N6 O4 -","- C68 H44 B4 Cu2 F16 N12 O8 -","2","0.5","","Wan, Chong-Qing; Chen, Xu-Dong; Mak, Thomas C. W.","Supramolecular frameworks assembled via intermolecular lone pair-aromatic interaction between carbonyl and pyridyl groups","CrystEngComm","2008","10","5","475","","10.1039/b718823d","","","0.71073","MoKα","","0.1176","0.056","","","0.1208","0.1498","","","","","","1.01","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201901","9.154","0.005","21.374","0.011","18.717","0.01","90","","90.286","0.011","90","","3662","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H27 Cu N9 O11 -","- C36 H25 Cu N9 O11 -","- C144 H100 Cu4 N36 O44 -","4","1","","Wan, Chong-Qing; Chen, Xu-Dong; Mak, Thomas C. W.","Supramolecular frameworks assembled via intermolecular lone pair-aromatic interaction between carbonyl and pyridyl groups","CrystEngComm","2008","10","5","475","","10.1039/b718823d","","","0.71073","MoKα","","0.1034","0.0565","","","0.1782","0.2226","","","","","","1.034","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201902","11.7889","0.0007","14.2524","0.0009","16.391","0.001","90","","99.416","0.001","90","","2716.9","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H8 Cu I N4 S2 -","- C9 H8 Cu I N4 S2 -","- C72 H64 Cu8 I8 N32 S16 -","8","1","","Shi, Wen-Juan; Ruan, Cheng-Xiang; Li, Zhen; Li, Mian; Li, Dan","Tuning framework formation by flexible ligand elongation and second ligating spacer variation: increasing dimensionality and macrocycle size","CrystEngComm","2008","10","6","778","","10.1039/b718852h","","","0.71073","MoKα","","0.0322","0.028","","","0.0652","0.0669","","","","","","1.065","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201903","8.4287","0.0005","8.8723","0.0006","16.1154","0.0011","90","","92.731","0.001","90","","1203.77","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cu N5 S2 -","- C10 H8 Cu N5 S2 -","- C40 H32 Cu4 N20 S8 -","4","1","","Shi, Wen-Juan; Ruan, Cheng-Xiang; Li, Zhen; Li, Mian; Li, Dan","Tuning framework formation by flexible ligand elongation and second ligating spacer variation: increasing dimensionality and macrocycle size","CrystEngComm","2008","10","6","778","","10.1039/b718852h","","","0.71073","MoKα","","0.0286","0.0265","","","0.0687","0.07","","","","","","1.05","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201904","8.805","0.001","9.0434","0.001","12.5826","0.0014","87.137","0.002","85.596","0.002","88.277","0.002","997.37","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H15 Cu I N6 S3 -","- C15 H15 Cu I N6 S3 -","- C30 H30 Cu2 I2 N12 S6 -","2","1","","Shi, Wen-Juan; Ruan, Cheng-Xiang; Li, Zhen; Li, Mian; Li, Dan","Tuning framework formation by flexible ligand elongation and second ligating spacer variation: increasing dimensionality and macrocycle size","CrystEngComm","2008","10","6","778","","10.1039/b718852h","","","0.71073","MoKα","","0.0482","0.0368","","","0.0936","0.1064","","","","","","1.071","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201905","8.3584","0.0008","9.1892","0.0009","17.7463","0.0017","90","","97.063","0.002","90","","1352.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Cu N5 S2 -","- C11 H10 Cu N5 S2 -","- C44 H40 Cu4 N20 S8 -","4","1","","Shi, Wen-Juan; Ruan, Cheng-Xiang; Li, Zhen; Li, Mian; Li, Dan","Tuning framework formation by flexible ligand elongation and second ligating spacer variation: increasing dimensionality and macrocycle size","CrystEngComm","2008","10","6","778","","10.1039/b718852h","","","0.71073","MoKα","","0.04","0.0349","","","0.0815","0.0842","","","","","","1.037","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201906","4.5644","0.0009","8.9738","0.0018","11.778","0.002","78.05","0.03","83.67","0.03","84.67","0.03","467.88","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C5 H4 I2 N O Pb -","- C5 H4 I2 N O Pb -","- C10 H8 I4 N2 O2 Pb2 -","2","1","","Wang, Yun Jie; Li, Hao Hong; Chen, Zhi Rong; Huang, Chang Cang; Huang, Xi He; Feng, Miao; Lin, Yun","A series of lead(II)/iodine hybrid polymers based on 1-D and 2-D metal‒organic motifs linked by different organic conjugated ligands","CrystEngComm","2008","10","6","770","","10.1039/b718905b","","","0.71073","MoKα","","0.0736","0.0511","","","0.0997","0.1108","","","","","","0.949","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201907","18.866","0.004","8.6033","0.0017","9.6102","0.0019","90","","115.43","0.03","90","","1408.7","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 I2 N2 O2 Pb -","- C10 H8 I2 N2 O2 Pb -","- C40 H32 I8 N8 O8 Pb4 -","4","0.5","","Wang, Yun Jie; Li, Hao Hong; Chen, Zhi Rong; Huang, Chang Cang; Huang, Xi He; Feng, Miao; Lin, Yun","A series of lead(II)/iodine hybrid polymers based on 1-D and 2-D metal‒organic motifs linked by different organic conjugated ligands","CrystEngComm","2008","10","6","770","","10.1039/b718905b","","","0.71073","MoKα","","0.0345","0.0308","","","0.0641","0.0655","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201908","16.872","0.005","7.2993","0.0017","12.074","0.003","90","","107.85","0.004","90","","1415.4","0.6","293","2","153.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 I N2 O2 Pb -","- C12 H13 I N2 O2 Pb -","- C48 H52 I4 N8 O8 Pb4 -","4","1","","Wang, Yun Jie; Li, Hao Hong; Chen, Zhi Rong; Huang, Chang Cang; Huang, Xi He; Feng, Miao; Lin, Yun","A series of lead(II)/iodine hybrid polymers based on 1-D and 2-D metal‒organic motifs linked by different organic conjugated ligands","CrystEngComm","2008","10","6","770","","10.1039/b718905b","","","0.71073","MoKα","","0.0377","0.0331","","","0.0735","0.076","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201909","10.0354","0.0011","13.254","0.002","14.6231","0.0016","90","","90","","90","","1945","0.4","173","2","173","2","","","","","","","","4","P n a b","-P 2bc 2n","60","","","","- C8 H18 Cl N -","- C8 H18 Cl N -","- C64 H144 Cl8 N8 -","8","1","","Laus, Gerhard; Bentivoglio, Gino; Kahlenberg, Volker; Griesser, Ulrich J.; Schottenberger, Herwig; Nauer, Gerhard","Syntheses, crystal structures, and polymorphism of quaternary pyrrolidinium chlorides","CrystEngComm","2008","10","6","748","","10.1039/b718917f","","","0.71073","MoKα","","0.0587","0.0406","","","0.0813","0.0876","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201910","6.4857","0.001","12.005","0.003","12.526","0.002","90","","102.746","0.013","90","","951.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 Cl N -","- C8 H16 Cl N -","- C32 H64 Cl4 N4 -","4","1","","Laus, Gerhard; Bentivoglio, Gino; Kahlenberg, Volker; Griesser, Ulrich J.; Schottenberger, Herwig; Nauer, Gerhard","Syntheses, crystal structures, and polymorphism of quaternary pyrrolidinium chlorides","CrystEngComm","2008","10","6","748","","10.1039/b718917f","","","0.71073","MoKα","","0.0662","0.0406","","","0.0878","0.097","","","","","","1.035","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201911","8.4849","0.0014","8.1271","0.0016","13.501","0.002","90","","100.408","0.013","90","","915.7","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H14 Cl N -","- C8 H14 Cl N -","- C32 H56 Cl4 N4 -","4","1","","Laus, Gerhard; Bentivoglio, Gino; Kahlenberg, Volker; Griesser, Ulrich J.; Schottenberger, Herwig; Nauer, Gerhard","Syntheses, crystal structures, and polymorphism of quaternary pyrrolidinium chlorides","CrystEngComm","2008","10","6","748","","10.1039/b718917f","","","0.71073","MoKα","","0.0308","0.0274","","","0.0699","0.0713","","","","","","1.067","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201912","13.51","0.0001","27.37","0.0002","27.991","0.0003","90","","90","","90","","10350.2","0.15","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C65 H94 Cl4 N4 O29.25 Pd2 Zn4 -","- C65 H86 Cl4 N4 O29.25 Pd2 Zn4 -","- C260 H344 Cl16 N16 O117 Pd8 Zn16 -","4","1","","Burrows, Andrew D.; Mahon, Mary F.; Wong, Claudia T. F.","Complexes as metalloligands in network formation: synthesis and characterisation of a mixed-metal coordination network containing palladium and zinc","CrystEngComm","2008","10","5","487","","10.1039/b718961c","","","0.71073","MoKα","","0.0769","0.0627","","","0.1716","0.1847","","","","","","1.046","","","","has coordinates,has disorder","180350","2020-10-21","18:00:00",""
"7201913","18.2323","0.0008","10.8209","0.0005","13.097","0.0006","90","","93.552","0.001","90","","2578.9","0.2","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H13 N O5 Zn -","- C12 H13 N O5 Zn -","- C96 H104 N8 O40 Zn8 -","8","1","","Wang, Fang-Kuo; Yang, Shi-Yao; Huang, Rong-Bin; Zheng, Lan-Sun; Batten, Stuart R.","Control of the topologies and packing modes of three 2D coordination polymers through variation of the solvent ratio of a binary solvent mixture","CrystEngComm","2008","10","9","1211","","10.1039/b718995h","","","0.71073","MoKα","","0.0333","0.0292","","","0.0814","0.0837","","","","","","1.078","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201914","23.2531","0.0011","10.61","0.0005","15.9768","0.0007","90","","111.641","0.001","90","","3663.9","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 N2 O14 Zn3 -","- C32 H30 N2 O14 Zn3 -","- C128 H120 N8 O56 Zn12 -","4","0.5","","Wang, Fang-Kuo; Yang, Shi-Yao; Huang, Rong-Bin; Zheng, Lan-Sun; Batten, Stuart R.","Control of the topologies and packing modes of three 2D coordination polymers through variation of the solvent ratio of a binary solvent mixture","CrystEngComm","2008","10","9","1211","","10.1039/b718995h","","","0.71073","MoKα","","0.0413","0.0344","","","0.094","0.0972","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201915","6.9787","0.0003","10.1257","0.0005","10.8955","0.0005","70.436","0.001","74.018","0.001","76.75","0.001","689.41","0.06","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 N O6 Zn -","- C12 H15 N O6 Zn -","- C24 H30 N2 O12 Zn2 -","2","1","","Wang, Fang-Kuo; Yang, Shi-Yao; Huang, Rong-Bin; Zheng, Lan-Sun; Batten, Stuart R.","Control of the topologies and packing modes of three 2D coordination polymers through variation of the solvent ratio of a binary solvent mixture","CrystEngComm","2008","10","9","1211","","10.1039/b718995h","","","0.71073","MoKα","","0.0333","0.0317","","","0.0805","0.0814","","","","","","1.047","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201919","13.175","0.003","10.498","0.002","16.82","0.005","90","","108.91","0.02","90","","2200.8","1","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C18 H34 Cl2 N2 O4 Zn -","- C18 H34 Cl2 N2 O4 Zn -","- C72 H136 Cl8 N8 O16 Zn4 -","4","1","","Braga, Dario; Grepioni, Fabrizia; Maini, Lucia; Brescello, Roberto; Cotarca, Livius","Simple and quantitative mechanochemical preparation of the first zinc and copper complexes of the neuroleptic drug gabapentin","CrystEngComm","2008","10","5","469","","10.1039/b719451j","","","0.71073","MoKα","","0.0651","0.0311","","","0.075","0.0861","","","","","","1.028","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201920","11.865","0.006","6.75","0.004","15.109","0.009","90","","112.87","0.02","90","","1114.9","1.1","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C18 H34 Cl2 Cu N2 O4 -","- C18 H34 Cl2 Cu N2 O4 -","- C36 H68 Cl4 Cu2 N4 O8 -","2","0.5","","Braga, Dario; Grepioni, Fabrizia; Maini, Lucia; Brescello, Roberto; Cotarca, Livius","Simple and quantitative mechanochemical preparation of the first zinc and copper complexes of the neuroleptic drug gabapentin","CrystEngComm","2008","10","5","469","","10.1039/b719451j","","","0.71073","MoKα","","0.1101","0.0601","","","0.1586","0.1838","","","","","","0.98","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201921","11.0436","0.0005","12.9919","0.0006","16.8564","0.0009","90","","90","","90","","2418.5","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 Fe N6 O4 Zn -","- C22 H26 Fe N6 O4 Zn -","- C88 H104 Fe4 N24 O16 Zn4 -","4","1","","He, Cheng; Zhang, Bingguang; Xie, Lixia; Liu, Yang; Duan, Chunying","Stereoselective association of ferrocene-contained molecular clips in coordination polymers","CrystEngComm","2008","10","6","759","","10.1039/b719509e","","","0.71073","MoKα","","0.0451","0.0353","","","0.0779","0.0802","","","","","","1.016","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201922","11.0485","0.0003","12.9858","0.0004","16.8845","0.0005","90","","90","","90","","2422.48","0.12","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 Fe N6 O4 Zn -","- C22 H26 Fe N6 O4 Zn -","- C88 H104 Fe4 N24 O16 Zn4 -","4","1","","He, Cheng; Zhang, Bingguang; Xie, Lixia; Liu, Yang; Duan, Chunying","Stereoselective association of ferrocene-contained molecular clips in coordination polymers","CrystEngComm","2008","10","6","759","","10.1039/b719509e","","","0.71073","MoKα","","0.0383","0.0297","","","0.0579","0.0596","","","","","","1.009","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201923","12.914","0.003","12.914","0.003","29.512","0.008","90","","90","","90","","4922","2","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C72 H80 Cd3 Fe4 I6 N24 -","- C72 H80 Cd3 Fe4 I6 N24 -","- C144 H160 Cd6 Fe8 I12 N48 -","2","0.125","","He, Cheng; Zhang, Bingguang; Xie, Lixia; Liu, Yang; Duan, Chunying","Stereoselective association of ferrocene-contained molecular clips in coordination polymers","CrystEngComm","2008","10","6","759","","10.1039/b719509e","","","0.71073","MoKα","","0.1359","0.0711","","","0.149","0.1586","","","","","","1.023","","","","has coordinates,has disorder","180350","2020-10-21","18:00:00",""
"7201924","5.81","0.0002","19.6315","0.0005","21.7087","0.0006","85.918","0.002","86.164","0.002","84.482","0.002","2453.85","0.13","293","","293","","","","","","","","","4","P -1","-P 1","2","Cytenamide form II","5H-Dibenzo[a,d]cycloheptene-5-carboxamide","","- C16 H13 N O -","- C16 H13 N O -","- C128 H104 N8 O8 -","8","4","","Florence, A. J.; Bedford, C. T.; Fabbiani, F. P. A.; Shankland, K.; Gelbrich, T.; Hursthouse, M. B.; Shankland, N.; Johnston, A.; Fernandes, P.","Two-dimensional similarity between forms I and II of cytenamide, a carbamazepine analogue","CrystEngComm","2008","10","7","811","","10.1039/b719717a","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","3.08","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201925","33.9078","0.001","33.9078","0.001","5.6754","0.0002","90","","90","","120","","5651","0.3","120","","120","2","","","","","","","","4","R -3 :H","-R 3","148","Cytenamide form I","5H-Dibenzo[a,d]cycloheptene-5-carboxamide","","- C16 H13 N O -","- C16 H13 N O -","- C288 H234 N18 O18 -","18","1","","Florence, A. J.; Bedford, C. T.; Fabbiani, F. P. A.; Shankland, K.; Gelbrich, T.; Hursthouse, M. B.; Shankland, N.; Johnston, A.; Fernandes, P.","Two-dimensional similarity between forms I and II of cytenamide, a carbamazepine analogue","CrystEngComm","2008","10","7","811","","10.1039/b719717a","","","0.71073","MoKα","","0.1461","0.071","","0.215","0.1685","0.215","","","","","","0.9575","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201926","16.514","0.0004","11.7929","0.0002","20.8057","0.0004","90","","102.894","0.002","90","","3949.7","0.14","150","2","150","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C32 H36 Cd Cl2 N6 O12 -","- C32 H28 Cd Cl2 N6 O12 -","- C128 H112 Cd4 Cl8 N24 O48 -","4","1","","Jiang, Ji-Jun; Liu, Yong-Ru; Yang, Rui; Pan, Mei; Cao, Rong; Su, Cheng-Yong","The interplay of coordinative and hydrogen-bonding in directing the [M(4,4′-bpy)2(H2O)2] square-grid networks: formation of 3D porous framework [Cd(4,4′-bpy)2(H2O)2](ClO4)2(4,4′-bpy)(CH3OH)2","CrystEngComm","2008","10","9","1147","","10.1039/b719970h","","","0.71073","MoKα","","0.0805","0.0608","","","0.162","0.1726","","","","","","1.016","","","","has coordinates,has disorder","180350","2020-10-21","18:00:00",""
"7201927","32.4649","0.0015","16.5884","0.0007","12.2905","0.0006","90","","91.198","0.002","90","","6617.5","0.5","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C56 H34 Co N6 O4 Zn -","- C56 H34 Co N6 O4 Zn -","- C224 H136 Co4 N24 O16 Zn4 -","4","0.5","","Choi, Eun-Young; Barron, Paul M.; Novotney, Richard W.; Hu, Chunhua; Kwon, Young-UK; Choe, Wonyoung","A mixed-linker porphyrin framework with CdI2-type topology","CrystEngComm","2008","10","7","824","","10.1039/b720035h","","","0.71073","MoKα","","0.0773","0.0597","","","0.1434","0.1521","","","","","","1","","","","has coordinates,has disorder","180350","2020-10-21","18:00:00",""
"7201928","10.1807","0.0007","12.6858","0.0012","17.0404","0.0015","90","","106.996","0.007","90","","2104.7","0.3","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H23 F -","- C28 H23 F -","- C112 H92 F4 -","4","0.5","","Cozzi, Franco; Annunziata, Rita; Benaglia, Maurizio; Baldridge, Kim K.; Aguirre, Gerardo; Estrada, Jesús; Sritana-Anant, Yongsak; Siegel, Jay S.","Through-space interactions between parallel-offset arenes at the van der Waals distance: 1,8-diarylbiphenylene syntheses, structure and QM computations","Physical Chemistry Chemical Physics","2008","10","19","2686","2694","10.1039/b800031j","","","0.71073","MoKα","","0.1141","0.0703","","","0.1986","0.2266","","","","","","1.043","","","","has coordinates,has disorder","180350","2020-10-21","18:00:00",""
"7201929","8.27","0.0013","18.901","0.004","13.723","0.003","90","","103.554","0.015","90","","2085.3","0.7","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 -","- C28 H24 -","- C112 H96 -","4","1","","Cozzi, Franco; Annunziata, Rita; Benaglia, Maurizio; Baldridge, Kim K.; Aguirre, Gerardo; Estrada, Jesús; Sritana-Anant, Yongsak; Siegel, Jay S.","Through-space interactions between parallel-offset arenes at the van der Waals distance: 1,8-diarylbiphenylene syntheses, structure and QM computations","Physical Chemistry Chemical Physics","2008","10","19","2686","2694","10.1039/b800031j","","","0.71073","MoKα","","0.2725","0.1637","","","0.3833","0.419","","","","","","1.901","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201930","8.084","0.003","15.976","0.005","32.417","0.007","90","","90","","90","","4187","2","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C28 H23 Cl -","- C28 H23 Cl -","- C224 H184 Cl8 -","8","1","","Cozzi, Franco; Annunziata, Rita; Benaglia, Maurizio; Baldridge, Kim K.; Aguirre, Gerardo; Estrada, Jesús; Sritana-Anant, Yongsak; Siegel, Jay S.","Through-space interactions between parallel-offset arenes at the van der Waals distance: 1,8-diarylbiphenylene syntheses, structure and QM computations","Physical Chemistry Chemical Physics","2008","10","19","2686","2694","10.1039/b800031j","","","0.71073","MoKα","","0.1278","0.0644","","","0.1571","0.1881","","","","","","1.016","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201931","8.3064","0.0013","32.077","0.004","8.3998","0.0016","90","","108.092","0.011","90","","2127.4","0.6","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H23 N -","- C29 H23 N -","- C116 H92 N4 -","4","1","","Cozzi, Franco; Annunziata, Rita; Benaglia, Maurizio; Baldridge, Kim K.; Aguirre, Gerardo; Estrada, Jesús; Sritana-Anant, Yongsak; Siegel, Jay S.","Through-space interactions between parallel-offset arenes at the van der Waals distance: 1,8-diarylbiphenylene syntheses, structure and QM computations","Physical Chemistry Chemical Physics","2008","10","19","2686","2694","10.1039/b800031j","","","0.71073","MoKα","","0.1136","0.0579","","","0.1364","0.1626","","","","","","1.017","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201932","10.367","0.002","15.626","0.004","16.826","0.004","90","","100.128","0.004","90","","2683.2","1.1","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C56 H48 Ag2 B2 F8 N6 O P2 -","- C56 H48 Ag2 B2 F8 N6 O P2 -","- C112 H96 Ag4 B4 F16 N12 O2 P4 -","2","0.5","","Wang, Xiu-Jian; Gui, Liu-Cheng; Ni, Qing-Ling; Liao, Yan-Fang; Jiang, Xuan-Feng; Tang, Ling-Hua; Zhang, Zhong; Wu, Qiang","π-Stacking induced complexes with Z-shape motifs featuring a complementary approach between electron-rich arene diamines and electron-deficient aromatic N-heterocycles","CrystEngComm","2008","10","8","1003","","10.1039/b800082d","","","0.71073","MoKα","","0.1098","0.0866","","","0.2341","0.2434","","","","","","1.271","","","","has coordinates,has disorder","180350","2020-10-21","18:00:00",""
"7201933","10.6264","0.0014","16.485","0.002","16.248","0.002","90","","90.546","0.003","90","","2846.1","0.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H54 Cl2 Cu2 N8 O9 P2 -","- C60 H54 Cl2 Cu2 N8 O9 P2 -","- C120 H108 Cl4 Cu4 N16 O18 P4 -","2","0.5","","Wang, Xiu-Jian; Gui, Liu-Cheng; Ni, Qing-Ling; Liao, Yan-Fang; Jiang, Xuan-Feng; Tang, Ling-Hua; Zhang, Zhong; Wu, Qiang","π-Stacking induced complexes with Z-shape motifs featuring a complementary approach between electron-rich arene diamines and electron-deficient aromatic N-heterocycles","CrystEngComm","2008","10","8","1003","","10.1039/b800082d","","","0.71073","MoKα","","0.082","0.0534","","","0.1439","0.1659","","","","","","1.037","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201934","11.0034","0.0004","18.8661","0.0007","15.7613","0.0007","90","","102.728","0.004","90","","3191.5","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H32 Cl Cu N4 O5 P -","- C31 H32 Cl Cu N4 O5 P -","- C124 H128 Cl4 Cu4 N16 O20 P4 -","4","1","","Wang, Xiu-Jian; Gui, Liu-Cheng; Ni, Qing-Ling; Liao, Yan-Fang; Jiang, Xuan-Feng; Tang, Ling-Hua; Zhang, Zhong; Wu, Qiang","π-Stacking induced complexes with Z-shape motifs featuring a complementary approach between electron-rich arene diamines and electron-deficient aromatic N-heterocycles","CrystEngComm","2008","10","8","1003","","10.1039/b800082d","","","0.71073","MoKα","","0.0893","0.0487","","","0.1093","0.1298","","","","","","1.019","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201935","10.0967","0.001","15.5266","0.0016","16.6702","0.0017","90","","93.3","0.002","90","","2609","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H48 Ag2 N8 O6 P2 -","- C60 H48 Ag2 N8 O6 P2 -","- C120 H96 Ag4 N16 O12 P4 -","2","0.5","","Wang, Xiu-Jian; Gui, Liu-Cheng; Ni, Qing-Ling; Liao, Yan-Fang; Jiang, Xuan-Feng; Tang, Ling-Hua; Zhang, Zhong; Wu, Qiang","π-Stacking induced complexes with Z-shape motifs featuring a complementary approach between electron-rich arene diamines and electron-deficient aromatic N-heterocycles","CrystEngComm","2008","10","8","1003","","10.1039/b800082d","","","0.71073","MoKα","","0.0563","0.0345","","","0.0754","0.0837","","","","","","1.026","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201936","14.2741","0.0002","16.3621","0.0002","19.4747","0.0002","90","","94.458","0.001","90","","4534.64","0.1","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C50 H48 B Cu F4 N4 O P2 -","- C50 H48 B Cu F4 N4 O P2 -","- C200 H192 B4 Cu4 F16 N16 O4 P8 -","4","1","","Wang, Xiu-Jian; Gui, Liu-Cheng; Ni, Qing-Ling; Liao, Yan-Fang; Jiang, Xuan-Feng; Tang, Ling-Hua; Zhang, Zhong; Wu, Qiang","π-Stacking induced complexes with Z-shape motifs featuring a complementary approach between electron-rich arene diamines and electron-deficient aromatic N-heterocycles","CrystEngComm","2008","10","8","1003","","10.1039/b800082d","","","1.5418","CuKα","","0.1092","0.0678","","","0.1917","0.2573","","","","","","1.086","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201937","9.6449","0.0013","12.4087","0.0017","14.0021","0.0019","103.029","0.002","98.029","0.002","91.023","0.002","1614.5","0.4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H31 Ag F3 N4 O4 P S -","- C32 H31 Ag F3 N4 O4 P S -","- C64 H62 Ag2 F6 N8 O8 P2 S2 -","2","1","","Wang, Xiu-Jian; Gui, Liu-Cheng; Ni, Qing-Ling; Liao, Yan-Fang; Jiang, Xuan-Feng; Tang, Ling-Hua; Zhang, Zhong; Wu, Qiang","π-Stacking induced complexes with Z-shape motifs featuring a complementary approach between electron-rich arene diamines and electron-deficient aromatic N-heterocycles","CrystEngComm","2008","10","8","1003","","10.1039/b800082d","","","0.71073","MoKα","","0.0682","0.041","","","0.0908","0.1029","","","","","","1.032","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201938","10.7773","0.0003","18.935","0.0005","16.3066","0.0004","90","","91.061","0.001","90","","3327.09","0.15","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C102 H42 Au2 Cl2 O6 P2 -","- C102 H42 Au2 Cl2 O6 P2 -","- C204 H84 Au4 Cl4 O12 P4 -","2","0.5","","Schulz-Dobrick, Martin; Jansen, Martin","Intermolecular forces in intercluster compounds consisting of gold clusters and fullerides and in a series of model compounds C60·2(PR3)AuCl","CrystEngComm","2008","10","6","661","","10.1039/b800093j","","","0.71073","MoKα","","0.0367","0.0299","","","0.0715","0.0741","","","","","","1.052","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201939","10.8831","0.0003","19.0041","0.0006","16.5771","0.0005","90","","90.243","0.001","90","","3428.5","0.18","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C102 H42 Au2 Cl2 O6 P2 -","- C102 H42 Au2 Cl2 O6 P2 -","- C204 H84 Au4 Cl4 O12 P4 -","2","0.5","","Schulz-Dobrick, Martin; Jansen, Martin","Intermolecular forces in intercluster compounds consisting of gold clusters and fullerides and in a series of model compounds C60·2(PR3)AuCl","CrystEngComm","2008","10","6","661","","10.1039/b800093j","","","0.71073","MoKα","","0.0587","0.0437","","","0.1078","0.1248","","","","","","1.072","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201940","12.3426","0.0002","12.3426","0.0002","73.352","0.002","90","","90","","120","","9677.3","0.3","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C102 H42 Au2 Cl2 P2 -","- C102 H42 Au2 Cl2 P2 -","- C612 H252 Au12 Cl12 P12 -","6","0.166667","","Schulz-Dobrick, Martin; Jansen, Martin","Intermolecular forces in intercluster compounds consisting of gold clusters and fullerides and in a series of model compounds C60·2(PR3)AuCl","CrystEngComm","2008","10","6","661","","10.1039/b800093j","","","0.71073","MoKα","","0.0297","0.0205","","","0.056","0.0623","","","","","","1.084","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201941","9.7103","0.0011","10.0679","0.0011","24.245","0.003","90","","90.852","0.002","90","","2370","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 Co N2 O5 -","- C27 H22 Co N2 O5 -","- C108 H88 Co4 N8 O20 -","4","1","","Hu, Yawei; Li, Guanghua; Liu, Xiaomin; Hu, Bin; Bi, Minghui; Gao, Lu; Shi, Zhan; Feng, Shouhua","Hydrothermal synthesis and characterization of metal‒organic networks with helical units in a mixed ligand system","CrystEngComm","2008","10","7","888","","10.1039/b800255j","","","0.71073","MoKα","","0.0973","0.0521","","","0.1192","0.1432","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201942","13.979","0.003","19.7","0.005","36.094","0.009","90","","90","","90","","9940","4","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C27 H24 Co N2 O6 -","- C27 H22 Co N2 O6 -","- C432 H352 Co16 N32 O96 -","16","0.5","","Hu, Yawei; Li, Guanghua; Liu, Xiaomin; Hu, Bin; Bi, Minghui; Gao, Lu; Shi, Zhan; Feng, Shouhua","Hydrothermal synthesis and characterization of metal‒organic networks with helical units in a mixed ligand system","CrystEngComm","2008","10","7","888","","10.1039/b800255j","","","0.71073","MoKα","","0.1499","0.0992","","","0.2565","0.3002","","","","","","1.035","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201943","14.6809","0.0016","7.4146","0.0009","24.35","0.003","90","","90","","90","","2650.6","0.5","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H11 N3 O2 -","- C15 H11 N3 O2 -","- C120 H88 N24 O16 -","8","1","","Shin, Ji-Young; Patrick, Brian O.; Dolphin, David","Conformational flexibility of dipyrromethenes: supramolecular assemblies with hydroquinones","CrystEngComm","2008","10","8","960","","10.1039/b800367j","","","0.71073","MoKα","","0.0621","0.0403","","","0.1051","0.116","","","","","","1.074","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201944","10.508","0.002","19.587","0.003","11.039","0.002","90","","107.97","0.01","90","","2161.2","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H13 Cl2 N5 O4 -","- C23 H13 Cl2 N5 O4 -","- C92 H52 Cl8 N20 O16 -","4","1","","Shin, Ji-Young; Patrick, Brian O.; Dolphin, David","Conformational flexibility of dipyrromethenes: supramolecular assemblies with hydroquinones","CrystEngComm","2008","10","8","960","","10.1039/b800367j","","","0.71073","MoKα","","0.0756","0.0456","","","0.1087","0.129","","","","","","1.09","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201945","6.7056","0.0003","18.3989","0.001","27.453","0.0017","90","","92.523","0.004","90","","3383.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H42 N4 O24 U2 -","- C18 H30 N4 O24 U2 -","- C72 H120 N16 O96 U8 -","4","1","","Thuéry, Pierre","The first crystal structure of an actinide complex of the macrocyclic ligand DOTA: a two-dimensional uranyl‒organic framework","CrystEngComm","2008","10","7","808","","10.1039/b800392k","","","0.71073","MoKα","","0.0498","0.033","","","0.0735","0.0779","","","","","","1.025","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201946","7.8528","0.0016","11.78","0.002","17.456","0.004","93.85","0.03","94.7","0.03","91.87","0.03","1604.5","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H29 Dy N3 O10 S6 -","- C24 H29 Dy N3 O10 S6 -","- C48 H58 Dy2 N6 O20 S12 -","2","1","","Li, Fengyan; Xu, Lin; Bi, Bo; Liu, Xizheng; Fan, Lihua","1D lanthanide(iii) coordination polymers with disulfide ligand generated in situ","CrystEngComm","2008","10","6","693","","10.1039/b800437b","","","0.71073","MoKα","","0.0307","0.0266","","","0.0699","0.0707","","","","","","1.221","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201947","7.8341","0.0003","11.8843","0.0005","17.5342","0.0008","94.087","0.001","94.699","0.001","91.995","0.001","1621.5","0.12","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H29 Eu N3 O10 S6 -","- C24 H29 Eu N3 O10 S6 -","- C48 H58 Eu2 N6 O20 S12 -","2","1","","Li, Fengyan; Xu, Lin; Bi, Bo; Liu, Xizheng; Fan, Lihua","1D lanthanide(iii) coordination polymers with disulfide ligand generated in situ","CrystEngComm","2008","10","6","693","","10.1039/b800437b","","","0.71073","MoKα","","0.0779","0.0499","","","0.0878","0.1085","","","","","","1.015","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201948","7.74","0.0015","12.154","0.002","17.433","0.004","73.85","0.03","88.22","0.03","88.55","0.03","1574.2","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H27 N3 Nd O9 S6 -","- C24 H21 N3 Nd O9 S6 -","- C48 H42 N6 Nd2 O18 S12 -","2","1","","Li, Fengyan; Xu, Lin; Bi, Bo; Liu, Xizheng; Fan, Lihua","1D lanthanide(iii) coordination polymers with disulfide ligand generated in situ","CrystEngComm","2008","10","6","693","","10.1039/b800437b","","","0.71073","MoKα","","0.0752","0.0541","","","0.1142","0.1264","","","","","","0.988","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201949","37.034","0.007","11.725","0.002","23.127","0.005","90","","108.75","0.03","90","","9509","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H44 Co2 N16 S4 -","- C44 H44 Co2 N16 S4 -","- C352 H352 Co16 N128 S32 -","8","1","","Qi, Yan; Che, Yun-Xia; Batten, Stuart R.; Zheng, Ji-Min","Unprecedented trinodal 4-connected metal‒organic frameworks (MOFs) with 2-fold interpenetration","CrystEngComm","2008","10","8","1027","","10.1039/b800709h","","","0.71073","MoKα","","0.0939","0.047","","","0.1003","0.1175","","","","","","1.008","","","","has coordinates,has disorder","180350","2020-10-21","18:00:00",""
"7201950","7.7631","0.0016","12.907","0.003","15.69","0.003","100.4","0.03","103.54","0.03","98.97","0.03","1470.7","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H25 N6 O4 S2 -","- C32 H25 N6 O4 S2 -","- C64 H50 N12 O8 S4 -","2","1","","Broker, Grant A.; Bettens, Ryan P. A.; Tiekink, Edward R. T.","Co-crystallisation of 2,2′-dithiodibenzoic acid with the isomeric n-pyridinealdazines, n = 2, 3 and 4: supramolecular polymers and the influence of steric factors upon aggregation patterns","CrystEngComm","2008","10","7","879","","10.1039/b800797g","","","0.71073","MoKα","","0.037","0.036","","","0.088","0.088","","","","","","1.1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201951","12.115","0.009","5.258","0.004","18.704","0.015","90","","92.55","0.02","90","","1190.3","1.6","120","2","120","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C26 H20 N4 O4 S2 -","- C26 H20 N4 O4 S2 -","- C52 H40 N8 O8 S4 -","2","0.5","","Broker, Grant A.; Bettens, Ryan P. A.; Tiekink, Edward R. T.","Co-crystallisation of 2,2′-dithiodibenzoic acid with the isomeric n-pyridinealdazines, n = 2, 3 and 4: supramolecular polymers and the influence of steric factors upon aggregation patterns","CrystEngComm","2008","10","7","879","","10.1039/b800797g","","","0.7107","MoKα","","0.098","0.088","","","0.169","0.174","","","","","","1.22","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201952","27.672","0.006","5.0086","0.001","19.107","0.004","90","","90","","90","","2648.2","1","153","2","153","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C27 H22 Cl2 N4 O4 S2 -","- C27 H22 Cl2 N4 O4 S2 -","- C108 H88 Cl8 N16 O16 S8 -","4","0.5","","Broker, Grant A.; Bettens, Ryan P. A.; Tiekink, Edward R. T.","Co-crystallisation of 2,2′-dithiodibenzoic acid with the isomeric n-pyridinealdazines, n = 2, 3 and 4: supramolecular polymers and the influence of steric factors upon aggregation patterns","CrystEngComm","2008","10","7","879","","10.1039/b800797g","","","0.71073","MoKα","","0.077","0.072","","","0.187","0.191","","","","","","1.16","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201953","8.927","0.0007","14.0754","0.0011","15.1592","0.0012","90","","98.899","0.003","90","","1881.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 N4 O4 Zn -","- C19 H20 N4 O4 Zn -","- C76 H80 N16 O16 Zn4 -","4","1","","Mondal, Raju; Bhunia, Manas Kumar; Dhara, Koushik","Crystal engineering of zinc(II) metal‒organic frameworks: role of steric bulk and angular disposition of coordinating sites of the ligands","CrystEngComm","2008","10","9","1167","","10.1039/b800908b","","","0.71073","MoKα","","0.0707","0.0435","","","0.1106","0.1275","","","","","","1.013","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201954","8.5804","0.0002","16.1162","0.0004","15.2193","0.0004","90","","90.428","0.001","90","","2104.52","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N4 O6 Zn -","- C20 H20 N4 O6 Zn -","- C80 H80 N16 O24 Zn4 -","4","1","","Mondal, Raju; Bhunia, Manas Kumar; Dhara, Koushik","Crystal engineering of zinc(II) metal‒organic frameworks: role of steric bulk and angular disposition of coordinating sites of the ligands","CrystEngComm","2008","10","9","1167","","10.1039/b800908b","","","0.71073","MoKα","","0.0535","0.0353","","","0.0818","0.09","","","","","","1.024","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201955","19.591","0.001","13.486","0.0007","19.155","0.001","90","","120.24","0.002","90","","4372.2","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 N4 O4 Zn -","- C19 H20 N4 O4 Zn -","- C152 H160 N32 O32 Zn8 -","8","1","","Mondal, Raju; Bhunia, Manas Kumar; Dhara, Koushik","Crystal engineering of zinc(II) metal‒organic frameworks: role of steric bulk and angular disposition of coordinating sites of the ligands","CrystEngComm","2008","10","9","1167","","10.1039/b800908b","","","0.71073","MoKα","","0.0906","0.0501","","","0.1329","0.1546","","","","","","1.019","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201957","10.1491","0.0003","11.4654","0.0003","15.1523","0.0004","71.8196","0.0016","82.5003","0.0013","82.8793","0.0017","1654.33","0.08","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H28 Cu F6 N4 O2 P -","- C38 H28 Cu F6 N4 O2 P -","- C76 H56 Cu2 F12 N8 O4 P2 -","2","1","","Constable, Edwin C.; Chaurin, Valérie; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","The aryl‒phen and phen‒phen embraces—new supramolecular motifs","CrystEngComm","2008","10","8","1063","","10.1039/b801019f","","","0.71073","MoKα","","0.0576","0.038","","0.0615","0.0447","0.0447","","","","","","1.1026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201958","8.8291","0.0016","13.493","0.002","5.252","0.001","90","","106.338","0.002","90","","600.41","0.18","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Ag N2 O2 -","- C5 H5 Ag N2 O2 -","- C20 H20 Ag4 N8 O8 -","4","1","","Hu, Tong-Liang; Du, Wen-Ping; Hu, Bo-Wen; Li, Jian-Rong; Bu, Xian-He; Cao, Rong","Novel Ag(I) complexes with azole heterocycle ligands bearing acetic acid group: synthesis, characterization and crystal structures","CrystEngComm","2008","10","8","1037","","10.1039/b801070f","","","0.71073","MoKα","","0.0283","0.0239","","","0.0592","0.0616","","","","","","1.097","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201959","6.345","0.0015","8.1285","0.0019","8.659","0.002","75.091","0.004","83.106","0.004","88.947","0.004","428.4","0.17","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 Ag N4 O4 -","- C18 H15 Ag N4 O4 -","- C18 H15 Ag N4 O4 -","1","0.5","","Hu, Tong-Liang; Du, Wen-Ping; Hu, Bo-Wen; Li, Jian-Rong; Bu, Xian-He; Cao, Rong","Novel Ag(I) complexes with azole heterocycle ligands bearing acetic acid group: synthesis, characterization and crystal structures","CrystEngComm","2008","10","8","1037","","10.1039/b801070f","","","0.71073","MoKα","","0.0343","0.0291","","","0.066","0.0684","","","","","","1.098","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201960","7.4412","0.0016","6.3884","0.0013","12.68","0.003","90","","90","","90","","602.8","0.2","294","2","294","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H4 Ag N3 O2 -","- C4 H4 Ag N3 O2 -","- C16 H16 Ag4 N12 O8 -","4","1","","Hu, Tong-Liang; Du, Wen-Ping; Hu, Bo-Wen; Li, Jian-Rong; Bu, Xian-He; Cao, Rong","Novel Ag(I) complexes with azole heterocycle ligands bearing acetic acid group: synthesis, characterization and crystal structures","CrystEngComm","2008","10","8","1037","","10.1039/b801070f","","","0.71073","MoKα","","0.0207","0.018","","","0.0379","0.0389","","","","","","1.113","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201961","13.977","0.003","4.4046","0.0008","14.76","0.003","90","","110.365","0.003","90","","851.9","0.3","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 Ag N3 O2 -","- C8 H6 Ag N3 O2 -","- C32 H24 Ag4 N12 O8 -","4","1","","Hu, Tong-Liang; Du, Wen-Ping; Hu, Bo-Wen; Li, Jian-Rong; Bu, Xian-He; Cao, Rong","Novel Ag(I) complexes with azole heterocycle ligands bearing acetic acid group: synthesis, characterization and crystal structures","CrystEngComm","2008","10","8","1037","","10.1039/b801070f","","","0.71073","MoKα","","0.0362","0.0289","","","0.0732","0.0784","","","","","","1.053","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201962","22.113","0.003","6.9149","0.0012","7.7209","0.0014","90","","90","","90","","1180.6","0.3","113","2","113","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C9 H12 Co N2 O5.5 -","- C9 H9 Co N2 O4 -","- C36 H36 Co4 N8 O16 -","4","1","","Zhu, Ping; Gu, Wen; Cheng, Fang-Yi; Liu, Xin; Chen, Jun; Yan, Shi-Ping; Liao, Dai-Zheng","Design of two 3D homochiral Co(II) metal‒organic open frameworks by layered-pillar strategy: structure and properties","CrystEngComm","2008","10","8","963","","10.1039/b801177j","","","0.7107","MoKα","","0.0737","0.07","","","0.1689","0.1716","","","","","","1.073","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7201963","21.956","0.004","6.8823","0.0014","7.741","0.0015","90","","90","","90","","1169.7","0.4","113","2","113","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C9 H9 Co N2 O4 -","- C9 H9 Co N2 O4 -","- C36 H36 Co4 N8 O16 -","4","1","","Zhu, Ping; Gu, Wen; Cheng, Fang-Yi; Liu, Xin; Chen, Jun; Yan, Shi-Ping; Liao, Dai-Zheng","Design of two 3D homochiral Co(II) metal‒organic open frameworks by layered-pillar strategy: structure and properties","CrystEngComm","2008","10","8","963","","10.1039/b801177j","","","0.71073","MoKα","","0.1157","0.113","","","0.2504","0.2517","","","","","","1.093","","","","has coordinates,has disorder","180350","2020-10-21","18:00:00",""
"7201964","15.0535","0.0016","21.8564","0.0019","3.6939","0.0004","90","","90","","90","","1215.3","0.2","293","2","293","2","","","","","","","","6","C 2 2 2","C 2 2","21","","","","- C40 H32 Ag4 Cl2 N10 O6 -","- C40 H32 Ag4 Cl2 N10 O6 -","- C40 H32 Ag4 Cl2 N10 O6 -","1","0.125","","Zhang, Lei; Li, Zhao-Ji; Qin, Ye-Yan; Zhang, Jian; Cheng, Jian-Kai; Yin, Pei-Xiu; Yao, Yuan-Gen","Homochiral moganite-type metal‒organic framework based on unusual (Ag2Cl)n skeletons","CrystEngComm","2008","10","6","655","","10.1039/b801310a","","","0.71073","MoKα","","0.0515","0.0451","","","0.131","0.1374","","","","","","1.012","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201965","22.482","0.005","9.5886","0.0019","18.532","0.004","90","","104.14","0.03","90","","3873.9","1.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H30 N4 O14 Zn3 -","- C36 H30 N4 O14 Zn3 -","- C144 H120 N16 O56 Zn12 -","4","0.5","","Qi, Yan; Che, Yun-Xia; Zheng, Ji-Min","A zinc(ii) coordination polymer constructed from mixed-ligand 1,2-bis(2-(1H-imidazol-1-yl)ethoxy)ethane and 1,4-benzenedicarboxylic acid","CrystEngComm","2008","10","9","1137","","10.1039/b801387j","","x-ray","0.71073","MoKα","","0.0362","0.0284","","","0.0668","0.0702","","","","","","1.043","","","","has coordinates,has disorder","180350","2020-10-21","18:00:00",""
"7201967","20.6133","0.0003","18.2159","0.0003","38.3918","0.0005","90","","97.174","0.001","90","","14302.9","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","C4S20","","","- C68 H84 N4 O32 S4 -","- C68 H60 N4 O32.013 S4 -","- C544 H480 N32 O256.104 S32 -","8","1","","Shkurenko, Oleksandr; Suwinska, Kinga; Coleman, Anthony W.","Breaking down the para-sulfonato-calix[4]arene bilayer motif into tapes and fences: the solid-state structure of the complex with 6-methoxyquinoline","CrystEngComm","2008","10","7","821","","10.1039/b801435c","","","0.71073","MoKα","","0.0882","0.0787","","","0.1788","0.1843","","","","","","1.068","","","","has coordinates,has disorder","180350","2020-10-21","18:00:00",""
"7201968","12.2555","0.0006","10.4744","0.0005","7.2559","0.0004","90","","83.019","0.005","90","","924.53","0.08","300","","300","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bis(acetonitrile)-mu-fluoro-mu-tetrafluoroboratechromium(ii)","Bis(acetonitrile)-mu-fluoro-mu-tetrafluoroboratechromium(II)","","- C4 H6 B Cr F5 N2 -","- C4 H6 B Cr F5 N2 -","- C16 H24 B4 Cr4 F20 N8 -","4","0.5","","Her, Jae-Hyuk; Stephens, Peter W.; Zhu, Qiuying; Nelson, Kendric J.; Miller, Joel S.","Structure of CrIIF(NCMe)2BF4. Rietveld refinement of a component of a physical mixture of unknown composition","CrystEngComm","2008","10","12","1728","","10.1039/b801509k","powder diffraction","","0.700486","synchrotron","","","","","","","","","0.01","1.141","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201969","16.161","0.0012","16.161","0.0012","16.59","0.002","90","","90","","120","","3752.4","0.6","198","2","198","2","","","","","","","","5","R -3 :H","-R 3","148","Zinc(ii) stilbenedicarboxyl dimethylamide","","","- C54 H44 N2 O14 Zn3 -","- C53.94 H43.86 N1.98 O14 Zn3 -","- C161.82 H131.58 N5.94 O42 Zn9 -","3","0.166667","","Kim, Hyunuk; Park, Gyungse; Kim, Kimoon","Two-dimensional metal‒organic network with an unusual 36 topology and a cubic close packing pattern","CrystEngComm","2008","10","8","954","","10.1039/b801536h","","","0.71073","MoKα","","0.0591","0.0522","","","0.1507","0.1557","","","","","","1.05","","","","has coordinates,has disorder","180350","2020-10-21","18:00:00",""
"7201970","8.57203","0.00067","9.30117","0.00049","5.60429","0.00045","90","","90","","90","","446.83","0.06","298","","298","","76000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.562","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201971","8.4877","0.00068","9.09431","0.00054","5.57539","0.00047","90","","90","","90","","430.36","0.06","298","","298","","940000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.603","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201972","8.44354","0.00073","8.96414","0.00056","5.55463","0.0005","90","","90","","90","","420.42","0.06","298","","298","","1613000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.481","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201973","8.39175","0.00069","8.80598","0.00051","5.52187","0.0005","90","","90","","90","","408.05","0.06","298","","298","","2625000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.481","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201974","8.35471","0.00071","8.70622","0.00053","5.49678","0.00053","90","","90","","90","","399.82","0.06","298","","298","","3458000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.287","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201975","8.32162","0.0006","8.62427","0.00043","5.47386","0.00041","90","","90","","90","","392.85","0.05","298","","298","","4270000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.424","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201976","8.30986","0.00053","8.59508","0.00039","5.46585","0.00036","90","","90","","90","","390.39","0.04","298","","298","","4514000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.34","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201977","6.87","0.00033","9.63731","0.00056","5.60664","0.0003","90","","90","","90","","371.21","0.03","298","","298","","5199000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.658","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201978","6.81067","0.00043","9.62266","0.00069","5.59344","0.00031","90","","90","","90","","366.58","0.04","298","","298","","5700000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.606","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201979","6.76267","0.00042","9.60731","0.0007","5.58248","0.00037","90","","90","","90","","362.7","0.04","298","","298","","6280000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.36","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201980","6.68687","0.00032","9.58023","0.00058","5.56241","0.00031","90","","90","","90","","356.34","0.03","298","","298","","7243000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.563","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201981","6.54874","0.00033","9.53864","0.00054","5.60779","0.00032","90","","90","","90","","350.3","0.03","298","","298","","8162000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.313","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201982","14.728","0.002","6.997","0.0011","16.148","0.003","90","","117.074","0.002","90","","1481.7","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cafsaa","caffeine salicylic acid cocrystal","","- C15 H16 N4 O5 -","- C15 H16 N4 O5 -","- C60 H64 N16 O20 -","4","1","","Lu, Enxian; Rodríguez-Hornedo, Naír; Suryanarayanan, Raj","A rapid thermal method for cocrystal screening","CrystEngComm","2008","10","6","665","","10.1039/b801713c","","","0.71073","MoKα","","0.0679","0.0458","","","0.1107","0.1268","","","","","","1.021","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201983","17.206","0.004","4.9926","0.0011","18.27","0.004","90","","117.44","0.003","90","","1392.9","0.5","173","2","173","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","cbzmaa","","","- C33 H27 N4 O6 -","- C33 H27 N4 O6 -","- C66 H54 N8 O12 -","2","0.5","","Lu, Enxian; Rodríguez-Hornedo, Naír; Suryanarayanan, Raj","A rapid thermal method for cocrystal screening","CrystEngComm","2008","10","6","665","","10.1039/b801713c","","","0.71073","MoKα","","0.0656","0.0457","","","0.1042","0.1112","","","","","","1.051","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201984","17.536","0.002","5.1229","0.0007","18.308","0.002","90","","118.505","0.002","90","","1445.3","0.3","173","2","173","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","cbzsua","","","- C17 H15 N2 O3 -","- C17 H15 N2 O3 -","- C68 H60 N8 O12 -","4","1","","Lu, Enxian; Rodríguez-Hornedo, Naír; Suryanarayanan, Raj","A rapid thermal method for cocrystal screening","CrystEngComm","2008","10","6","665","","10.1039/b801713c","","","0.71073","MoKα","","0.047","0.0342","","","0.0821","0.088","","","","","","1.009","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201985","10.5106","0.0013","16.035","0.002","25.247","0.003","90","","90","","90","","4255.1","0.9","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","sfzsac","","","- C19 H19 N5 O5 S2 -","- C19 H19 N5 O5 S2 -","- C152 H152 N40 O40 S16 -","8","1","","Lu, Enxian; Rodríguez-Hornedo, Naír; Suryanarayanan, Raj","A rapid thermal method for cocrystal screening","CrystEngComm","2008","10","6","665","","10.1039/b801713c","","","0.71073","MoKα","","0.0655","0.0449","","","0.1076","0.1159","","","","","","1.069","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201986","8.7638","0.0011","8.7638","0.0011","11.548","0.0014","71.823","0.002","75.951","0.002","64.113","0.002","752.2","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","tplsac","","","- C14 H13 N5 O5 S -","- C14 H13 N5 O5 S -","- C28 H26 N10 O10 S2 -","2","1","","Lu, Enxian; Rodríguez-Hornedo, Naír; Suryanarayanan, Raj","A rapid thermal method for cocrystal screening","CrystEngComm","2008","10","6","665","","10.1039/b801713c","","","0.71073","MoKα","","0.051","0.0419","","","0.1135","0.1187","","","","","","1.094","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201987","11.5976","0.0002","20.8919","0.0002","12.3538","0.0001","90","","107.613","0.001","90","","2852.96","0.06","173","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 Ca Cu2 O25 S2 -","- C16 H28 Ca Cu2 O25 S2 -","- C64 H112 Ca4 Cu8 O100 S8 -","4","1","","Cao, Rong; Lü, Jian; Batten, Stuart R.","Copper 5-sulfoisophthalato quasi-planar squares in coordination polymers modulated by alkaline-earth metals: a way to molecular squares?","CrystEngComm","2008","10","6","784","","10.1039/b801887a","","","0.71073","MoKα","","0.0551","0.042","","","0.0947","0.1013","","","","","","1.113","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201988","7.1599","0.0001","19.4285","0.0002","21.3245","0.0003","90","","98.42","","90","","2934.39","0.07","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 Cu2 O25 S2 Sr -","- C16 H6 Cu2 O25 S1.956 Sr -","- C64 H24 Cu8 O100 S7.824 Sr4 -","4","1","","Cao, Rong; Lü, Jian; Batten, Stuart R.","Copper 5-sulfoisophthalato quasi-planar squares in coordination polymers modulated by alkaline-earth metals: a way to molecular squares?","CrystEngComm","2008","10","6","784","","10.1039/b801887a","","","0.71073","MoKα","","0.1202","0.0849","","","0.179","0.2012","","","","","","1.073","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201989","26.6964","0.0005","8.989","0.0002","15.7756","0.0003","90","","105.338","0.001","90","","3650.89","0.13","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C45 H54 N2 -","- C45 H54 N2 -","- C180 H216 N8 -","4","0.5","","Xin, Qian; Tao, Xu-Tang; Liu, Hui-Jun; Ren, Yan; Jiang, Min-Hua","Synthesis, structure and packing properties of three Tröger's base analogues containing substituted fluorene units","CrystEngComm","2008","10","9","1204","","10.1039/b801899e","","","0.71073","MoKα","","0.0706","0.0498","","","0.1388","0.1557","","","","","","1.047","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201990","23.6556","0.0003","13.9795","0.0002","24.5246","0.0003","90","","94.197","0.001","90","","8088.38","0.18","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C45 H51 Br2 N2 -","- C45 H51 Br2 N2 -","- C360 H408 Br16 N16 -","8","1","","Xin, Qian; Tao, Xu-Tang; Liu, Hui-Jun; Ren, Yan; Jiang, Min-Hua","Synthesis, structure and packing properties of three Tröger's base analogues containing substituted fluorene units","CrystEngComm","2008","10","9","1204","","10.1039/b801899e","","","0.71073","MoKα","","0.0957","0.0496","","","0.1221","0.1425","","","","","","1.028","","","","has coordinates,has disorder","180350","2020-10-21","18:00:00",""
"7201991","20.3845","0.0008","9.8302","0.0004","11.5556","0.0005","90","","98.977","0.001","90","","2287.19","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 Br2 N2 -","- C29 H20 Br2 N2 -","- C116 H80 Br8 N8 -","4","1","","Xin, Qian; Tao, Xu-Tang; Liu, Hui-Jun; Ren, Yan; Jiang, Min-Hua","Synthesis, structure and packing properties of three Tröger's base analogues containing substituted fluorene units","CrystEngComm","2008","10","9","1204","","10.1039/b801899e","","","0.71073","MoKα","","0.1035","0.0494","","","0.1027","0.1198","","","","","","0.997","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201992","6.9628","0.0003","11.001","0.0003","11.5319","0.0005","79.856","0.001","73.862","0.002","76.865","0.002","820.26","0.06","153","2","153","2","","","","","","","","5","P -1","-P 1","2","7","","","- C14 H13 La N2 O12 -","- C14 H13 La N2 O12 -","- C28 H26 La2 N4 O24 -","2","1","","Kelly, Niamh R.; Goetz, Sandrine; Batten, Stuart R.; Kruger, Paul E.","Synthesis and structural characterisation of lanthanide coordination polymers featuring 4,4′,6,6′-tetra-carboxy-2,2′-bipyridine and rare network topology","CrystEngComm","2008","10","8","1018","","10.1039/b801985a","","","0.71073","MoKα","","0.0241","0.0228","","","0.0606","0.0612","","","","","","1.059","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201993","7.2471","0.0005","9.9563","0.0006","11.0922","0.0007","71.432","0.001","75.006","0.001","78.665","0.001","727.14","0.08","153","2","153","2","","","","","","","","5","P -1","-P 1","2","8","","","- C14 H9 La N2 O10 -","- C14 H9 La N2 O10 -","- C28 H18 La2 N4 O20 -","2","1","","Kelly, Niamh R.; Goetz, Sandrine; Batten, Stuart R.; Kruger, Paul E.","Synthesis and structural characterisation of lanthanide coordination polymers featuring 4,4′,6,6′-tetra-carboxy-2,2′-bipyridine and rare network topology","CrystEngComm","2008","10","8","1018","","10.1039/b801985a","","","0.71073","MoKα","","0.0331","0.031","","","0.0718","0.0728","","","","","","1.166","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201994","21.9566","0.001","6.6188","0.0003","11.3669","0.0005","90","","90","","90","","1651.91","0.13","153","2","153","2","","","","","","","","5","P n m a","-P 2ac 2n","62","9","","","- C14 H10 Eu N2 O12.5 -","- C14 H5 Eu N2 O12 -","- C56 H20 Eu4 N8 O48 -","4","0.5","","Kelly, Niamh R.; Goetz, Sandrine; Batten, Stuart R.; Kruger, Paul E.","Synthesis and structural characterisation of lanthanide coordination polymers featuring 4,4′,6,6′-tetra-carboxy-2,2′-bipyridine and rare network topology","CrystEngComm","2008","10","8","1018","","10.1039/b801985a","","","0.71073","MoKα","","0.0624","0.0619","","","0.1542","0.1544","","","","","","1.423","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201995","8.2797","0.0004","16.7532","0.0009","12.7089","0.0006","90","","97.578","0.001","90","","1747.47","0.15","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","11","","","- C16 H14 Eu N3 O9 -","- C16 H14 Eu N3 O9 -","- C64 H56 Eu4 N12 O36 -","4","1","","Kelly, Niamh R.; Goetz, Sandrine; Batten, Stuart R.; Kruger, Paul E.","Synthesis and structural characterisation of lanthanide coordination polymers featuring 4,4′,6,6′-tetra-carboxy-2,2′-bipyridine and rare network topology","CrystEngComm","2008","10","8","1018","","10.1039/b801985a","","","0.71073","MoKα","","0.0172","0.0164","","","0.04","0.0404","","","","","","1.103","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201996","21.9198","0.001","6.604","0.0003","11.3592","0.0005","90","","90","","90","","1644.34","0.13","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","10","","","- C14 H11 Gd N2 O13 -","- C14 H4 Gd N2 O13 -","- C56 H16 Gd4 N8 O52 -","4","0.5","","Kelly, Niamh R.; Goetz, Sandrine; Batten, Stuart R.; Kruger, Paul E.","Synthesis and structural characterisation of lanthanide coordination polymers featuring 4,4′,6,6′-tetra-carboxy-2,2′-bipyridine and rare network topology","CrystEngComm","2008","10","8","1018","","10.1039/b801985a","","","0.71073","MoKα","","0.0651","0.065","","","0.1657","0.1657","","","","","","1.367","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201997","12.7212","0.0005","12.7212","0.0005","12.5853","0.0006","90","","90","","90","","2036.67","0.15","293","2","293","2","","","","","","","","3","P 4/n :2","-P 4a","85","t-butylcalix[4]arene","","","- C46 H56 O8 -","- C46 H56 O8 -","- C92 H112 O16 -","2","0.25","","Udachin, Konstantin A.; Moudrakovski, Igor L.; Enright, Gary D.; Ratcliffe, Christopher I.; Ripmeester, John A.","Loading-dependent structures of CO2 in the flexible molecular van der Waals host p-tert-butylcalix[4]arene with 1 : 1 and 2 : 1 guest‒host stoichiometries","Physical Chemistry Chemical Physics","2008","10","31","4636","4643","10.1039/b802035c","","","0.7107","MoKα","","0.188","0.1071","","","0.3093","0.3583","","","","","","1.124","","","","has coordinates,has disorder","180350","2020-10-21","18:00:00",""
"7201998","12.5069","0.0015","25.538","0.003","12.5939","0.0015","90","","90.013","0.002","90","","4022.5","0.8","125","0.1","125","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","t-butylcalix[4]arene","","","- C45 H56 O6 -","- C45 H56 O6 -","- C180 H224 O24 -","4","1","","Udachin, Konstantin A.; Moudrakovski, Igor L.; Enright, Gary D.; Ratcliffe, Christopher I.; Ripmeester, John A.","Loading-dependent structures of CO2 in the flexible molecular van der Waals host p-tert-butylcalix[4]arene with 1 : 1 and 2 : 1 guest‒host stoichiometries","Physical Chemistry Chemical Physics","2008","10","31","4636","4643","10.1039/b802035c","","","0.7107","MoKα","","0.1142","0.07","","","0.1559","0.1775","","","","","","1.021","","","","has coordinates,has disorder","180350","2020-10-21","18:00:00",""
"7201999","7.9913","0.0011","8.256","0.0012","11.3311","0.0016","85.809","0.002","79.323","0.002","76.193","0.002","713.09","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H26 Cd Cl2 N6 O12 -","- C22 H26 Cd Cl2 N6 O12 -","- C22 H26 Cd Cl2 N6 O12 -","1","0.5","","Liu, Na; Wang, Yan-Qin; Gao, En-Qing; Chen, Zhen-Xia; Weng, Lin-Hong","Supramolecular architectures based on transition metal complexes with 1-(3-pyridyl)-2-(4′-pyrimidyl)ethene","CrystEngComm","2008","10","7","915","","10.1039/b802044b","","","0.71073","MoKα","","0.028","0.0254","","","0.0623","0.064","","","","","","1.047","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7202000","8.0588","0.0011","14.1614","0.0019","14.2226","0.0018","103.129","0.003","93.499","0.002","104.069","0.003","1521.6","0.4","273","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H28 Cl2 Mn N6 O13 -","- C22 H28 Cl2 Mn N6 O13 -","- C44 H56 Cl4 Mn2 N12 O26 -","2","1","","Liu, Na; Wang, Yan-Qin; Gao, En-Qing; Chen, Zhen-Xia; Weng, Lin-Hong","Supramolecular architectures based on transition metal complexes with 1-(3-pyridyl)-2-(4′-pyrimidyl)ethene","CrystEngComm","2008","10","7","915","","10.1039/b802044b","","","0.71073","MoKα","","0.106","0.0617","","","0.1469","0.1648","","","","","","1.049","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202001","7.9676","0.001","13.98","0.0014","14.1474","0.0016","102.63","0.002","94.638","0.001","103.165","0.002","1483.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H28 Cl2 Co N6 O13 -","- C22 H28 Cl2 Co N6 O13 -","- C44 H56 Cl4 Co2 N12 O26 -","2","1","","Liu, Na; Wang, Yan-Qin; Gao, En-Qing; Chen, Zhen-Xia; Weng, Lin-Hong","Supramolecular architectures based on transition metal complexes with 1-(3-pyridyl)-2-(4′-pyrimidyl)ethene","CrystEngComm","2008","10","7","915","","10.1039/b802044b","","","0.71073","MoKα","","0.1447","0.063","","","0.1219","0.1367","","","","","","0.893","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202002","7.9455","0.0006","13.9534","0.0011","14.0967","0.0011","102.465","0.002","94.739","0.002","102.729","0.002","1474.5","0.2","273","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H28 Cl2 N6 Ni O13 -","- C22 H28 Cl2 N6 Ni O13 -","- C44 H56 Cl4 N12 Ni2 O26 -","2","1","","Liu, Na; Wang, Yan-Qin; Gao, En-Qing; Chen, Zhen-Xia; Weng, Lin-Hong","Supramolecular architectures based on transition metal complexes with 1-(3-pyridyl)-2-(4′-pyrimidyl)ethene","CrystEngComm","2008","10","7","915","","10.1039/b802044b","","","0.71073","MoKα","","0.1176","0.0608","","","0.1545","0.1799","","","","","","1.078","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202003","7.9922","0.0008","14.0221","0.0013","14.1085","0.0014","102.51","0.001","94.572","0.001","103.034","0.001","1490","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H28 Cl2 N6 O13 Zn -","- C22 H28 Cl2 N6 O13 Zn -","- C44 H56 Cl4 N12 O26 Zn2 -","2","1","","Liu, Na; Wang, Yan-Qin; Gao, En-Qing; Chen, Zhen-Xia; Weng, Lin-Hong","Supramolecular architectures based on transition metal complexes with 1-(3-pyridyl)-2-(4′-pyrimidyl)ethene","CrystEngComm","2008","10","7","915","","10.1039/b802044b","","","0.71073","MoKα","","0.0674","0.0577","","","0.169","0.1794","","","","","","0.997","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202004","9.778","0.004","12.825","0.006","10.618","0.005","90","","95.422","0.007","90","","1325.6","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Cu N8 O10 -","- C22 H26 Cu N8 O10 -","- C44 H52 Cu2 N16 O20 -","2","0.5","","Liu, Na; Wang, Yan-Qin; Gao, En-Qing; Chen, Zhen-Xia; Weng, Lin-Hong","Supramolecular architectures based on transition metal complexes with 1-(3-pyridyl)-2-(4′-pyrimidyl)ethene","CrystEngComm","2008","10","7","915","","10.1039/b802044b","","","0.71073","MoKα","","0.1034","0.0575","","","0.1356","0.15","","","","","","0.992","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202005","23.348","0.002","7.2939","0.0007","22.706","0.002","90","","98.543","0.001","90","","3823.9","0.6","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H23 Cu N3 O11 S -","- C11 H23 Cu N3 O11 S -","- C88 H184 Cu8 N24 O88 S8 -","8","1","","Liu, Na; Wang, Yan-Qin; Gao, En-Qing; Chen, Zhen-Xia; Weng, Lin-Hong","Supramolecular architectures based on transition metal complexes with 1-(3-pyridyl)-2-(4′-pyrimidyl)ethene","CrystEngComm","2008","10","7","915","","10.1039/b802044b","","","0.71073","MoKα","","0.0372","0.0315","","","0.083","0.0863","","","","","","1.056","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202006","11.2168","0.001","11.2168","0.001","19.176","0.004","90","","90","","120","","2089.4","0.5","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C14 H15 In3 N4 O20 -","- C14 H9 In3 N4 O20 -","- C42 H27 In9 N12 O60 -","3","0.5","","Han, Zheng-Bo; He, Yong-Ke; Tong, Ming-Liang; Song, Yong-Juan; Song, Xi-Ming; Yang, Li-Guo","Spontaneously resolved 3D homochiral In(III) coordination polymer with extended In-OH-In helical chains","CrystEngComm","2008","10","8","1070","","10.1039/b802226g","","","0.71073","MoKα","","0.0369","0.0352","","","0.0957","0.097","","","","","","1.131","","","","has coordinates,has disorder","180351","2020-10-21","18:00:00",""
"7202007","5.422","0.0003","6.2926","0.0004","14.5732","0.001","90","","98.472","0.004","90","","491.79","0.05","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C6 H6 N2 O8 U -","- C6 H6 N2 O8 U -","- C12 H12 N4 O16 U2 -","2","1","","Masci, Bernardo; Thuéry, Pierre","Hydrothermal synthesis of uranyl‒organic frameworks with pyrazine-2,3-dicarboxylate linkers","CrystEngComm","2008","10","8","1082","","10.1039/b802378f","","","0.71073","MoKα","","0.0154","0.0151","","","0.0378","0.038","","","","","","1.065","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202008","9.2125","0.0006","11.6265","0.0005","9.8446","0.0007","90","","102.397","0.003","90","","1029.86","0.11","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C6 H4 N2 O7 U -","- C6 H4 N2 O7 U -","- C24 H16 N8 O28 U4 -","4","1","","Masci, Bernardo; Thuéry, Pierre","Hydrothermal synthesis of uranyl‒organic frameworks with pyrazine-2,3-dicarboxylate linkers","CrystEngComm","2008","10","8","1082","","10.1039/b802378f","","","0.71073","MoKα","","0.0194","0.0185","","","0.0439","0.0442","","","","","","1.058","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202009","7.8884","0.0005","30.599","0.002","8.254","0.0004","90","","90.07","0.004","90","","1992.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H7 Cs N4 O14 U2 -","- C12 H7 Cs N4 O14 U2 -","- C48 H28 Cs4 N16 O56 U8 -","4","1","","Masci, Bernardo; Thuéry, Pierre","Hydrothermal synthesis of uranyl‒organic frameworks with pyrazine-2,3-dicarboxylate linkers","CrystEngComm","2008","10","8","1082","","10.1039/b802378f","","","0.71073","MoKα","","0.0357","0.0257","","","0.0533","0.0552","","","","","","1.029","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202010","14.2991","0.001","19.2999","0.0015","18.795","0.00119","90","","91.0374","0.0035","90","","5186","0.6","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H104 Cu2 I10 O27 S16 Y6 -","- C32 H104 Cu2 I10 O27 S16 Y6 -","- C64 H208 Cu4 I20 O54 S32 Y12 -","2","0.5","","Mishra, Shashank; Jeanneau, Erwann; Daniele, Stéphane; Hubert-Pfalzgraf, Liliane G.","Rare example of a polynuclear heterometallic yttrium(III)‒copper(I) iodide cluster with a [Y6(μ6-O)(μ3-OH)8]8+ core structure showing single crystal-to-single crystal transformation","CrystEngComm","2008","10","7","814","","10.1039/b802434k","","","0.71069","MoKα","","0.1456","0.0885","","0.1139","0.0901","0.0864","","","","","","1.2006","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202011","23.9338","0.0004","18.2415","0.0004","23.8604","0.0004","90","","110.442","0.0011","90","","9761.2","0.3","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H100 Cu2 I12 O27 S14 Y6 -","- C28 H100 Cu2 I12 O27 S14 Y6 -","- C112 H400 Cu8 I48 O108 S56 Y24 -","4","0.5","","Mishra, Shashank; Jeanneau, Erwann; Daniele, Stéphane; Hubert-Pfalzgraf, Liliane G.","Rare example of a polynuclear heterometallic yttrium(III)‒copper(I) iodide cluster with a [Y6(μ6-O)(μ3-OH)8]8+ core structure showing single crystal-to-single crystal transformation","CrystEngComm","2008","10","7","814","","10.1039/b802434k","","","0.71069","MoKα","","0.1043","0.056","","0.1005","0.0663","0.061","","","","","","1.0864","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202012","28.553","0.002","8.2201","0.0006","16.7163","0.0013","90","","100.746","0.003","90","","3854.7","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C84 H71 B4 Br3 Cu F16 N12 -","- C84 H70 B4 Br2.916 Cu F16 N12 -","- C168 H140 B8 Br5.832 Cu2 F32 N24 -","2","0.5","","Song, Yu-Fei; Kitson, Phil J.; Long, De-Liang; Parenty, Alexis D. C.; Thatcher, Robert J.; Cronin, Leroy","Supramolecular self-assembly and anion-dependence of copper(II) complexes with cationic dihydro-imidazo phenanthridinium (DIP)-containing ligands","CrystEngComm","2008","10","9","1243","","10.1039/b802541j","","","0.71073","MoKα","","0.0805","0.059","","","0.1068","0.1137","","","","","","1.145","","","","has coordinates,has disorder","180351","2020-10-21","18:00:00",""
"7202013","8.8546","0.0005","11.6779","0.0007","12.066","0.0007","63.335","0.003","76.612","0.003","78.007","0.003","1076.9","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H18 Br2 Cu N4 O3 -","- C21 H18 Br2 Cu N4 O3 -","- C42 H36 Br4 Cu2 N8 O6 -","2","1","","Song, Yu-Fei; Kitson, Phil J.; Long, De-Liang; Parenty, Alexis D. C.; Thatcher, Robert J.; Cronin, Leroy","Supramolecular self-assembly and anion-dependence of copper(II) complexes with cationic dihydro-imidazo phenanthridinium (DIP)-containing ligands","CrystEngComm","2008","10","9","1243","","10.1039/b802541j","","","0.71073","MoKα","","0.0581","0.0425","","","0.0975","0.1056","","","","","","1.018","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202014","11.867","0.004","13.477","0.005","14.98","0.005","106.773","0.008","104.342","0.008","100.37","0.008","2139.1","1.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Br3 Cu N3 -","- C21 H18 Br3 Cu N3 -","- C84 H72 Br12 Cu4 N12 -","4","2","","Song, Yu-Fei; Kitson, Phil J.; Long, De-Liang; Parenty, Alexis D. C.; Thatcher, Robert J.; Cronin, Leroy","Supramolecular self-assembly and anion-dependence of copper(II) complexes with cationic dihydro-imidazo phenanthridinium (DIP)-containing ligands","CrystEngComm","2008","10","9","1243","","10.1039/b802541j","","","0.71073","MoKα","","0.1098","0.081","","","0.2231","0.2489","","","","","","1.054","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202015","31.917","0.002","8.5868","0.0005","15.9626","0.001","90","","107.844","0.002","90","","4164.3","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H36 Cu2 N24 -","- C42 H36 Cu2 N24 -","- C168 H144 Cu8 N96 -","4","0.5","","Song, Yu-Fei; Kitson, Phil J.; Long, De-Liang; Parenty, Alexis D. C.; Thatcher, Robert J.; Cronin, Leroy","Supramolecular self-assembly and anion-dependence of copper(II) complexes with cationic dihydro-imidazo phenanthridinium (DIP)-containing ligands","CrystEngComm","2008","10","9","1243","","10.1039/b802541j","","","0.71073","MoKα","","0.0611","0.0381","","","0.0782","0.0885","","","","","","1.034","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202016","9.2344","0.0007","11.524","0.0009","12.4542","0.0009","65.526","0.003","88.615","0.003","80.281","0.003","1187.4","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H46 Cu2 N10 O3 S4 -","- C49 H42 Cu2 N10 O3 S4 -","- C49 H42 Cu2 N10 O3 S4 -","1","0.5","","Song, Yu-Fei; Kitson, Phil J.; Long, De-Liang; Parenty, Alexis D. C.; Thatcher, Robert J.; Cronin, Leroy","Supramolecular self-assembly and anion-dependence of copper(II) complexes with cationic dihydro-imidazo phenanthridinium (DIP)-containing ligands","CrystEngComm","2008","10","9","1243","","10.1039/b802541j","","","0.71073","MoKα","","0.072","0.0455","","","0.1056","0.121","","","","","","1.03","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202017","13.1236","0.0006","22.2503","0.0011","13.7765","0.001","90","","101.917","0.002","90","","3936.1","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H38 Br4 Cu N6 O -","- C42 H36 Br4 Cu N6 O -","- C168 H144 Br16 Cu4 N24 O4 -","4","0.5","","Song, Yu-Fei; Kitson, Phil J.; Long, De-Liang; Parenty, Alexis D. C.; Thatcher, Robert J.; Cronin, Leroy","Supramolecular self-assembly and anion-dependence of copper(II) complexes with cationic dihydro-imidazo phenanthridinium (DIP)-containing ligands","CrystEngComm","2008","10","9","1243","","10.1039/b802541j","","","0.71073","MoKα","","0.0776","0.0553","","","0.1384","0.1513","","","","","","1.056","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202018","10.3685","0.0007","18.5863","0.0011","18.5508","0.0011","90","","104.445","0.003","90","","3461.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H38 B N3 -","- C45 H38 B N3 -","- C180 H152 B4 N12 -","4","1","","Song, Yu-Fei; Kitson, Phil J.; Long, De-Liang; Parenty, Alexis D. C.; Thatcher, Robert J.; Cronin, Leroy","Supramolecular self-assembly and anion-dependence of copper(II) complexes with cationic dihydro-imidazo phenanthridinium (DIP)-containing ligands","CrystEngComm","2008","10","9","1243","","10.1039/b802541j","","","0.71073","MoKα","","0.0794","0.0466","","","0.1128","0.1334","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202019","12.103","0.0011","14.4837","0.0013","17.5418","0.0016","97.174","0.002","103.171","0.002","108.388","0.002","2776.1","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C55 H61 Cl3 N12 -","- C55 H61 Cl3 N12 -","- C110 H122 Cl6 N24 -","2","1","","Yin, Zhenming; Wang, Wuyan; Guo, Jianhua; Wang, Jiachun; He, Jiaqi; Cheng, Jin-Pei","Quadruple hydrogen bonded self-assemblies of 5,5′-bisdiazo-dipyrromethane","CrystEngComm","2008","10","8","957","","10.1039/b802599a","","","0.71073","MoKα","","0.106","0.0611","","","0.1564","0.1902","","","","","","1.014","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202020","18.264","0.005","20.537","0.005","24.233","0.006","90","","90","","90","","9090","4","113","2","113","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H26 N6 -","- C25 H26 N6 -","- C400 H416 N96 -","16","2","","Yin, Zhenming; Wang, Wuyan; Guo, Jianhua; Wang, Jiachun; He, Jiaqi; Cheng, Jin-Pei","Quadruple hydrogen bonded self-assemblies of 5,5′-bisdiazo-dipyrromethane","CrystEngComm","2008","10","8","957","","10.1039/b802599a","","","0.7107","MoKα","","0.0731","0.0651","","","0.1321","0.1363","","","","","","1.062","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202022","15.3782","0.0019","16.46","0.002","20.12","0.003","90","","90","","90","","5092.9","1.2","150","2","150","2","","","","","","","","7","I m m m","-I 2 2","71","","","","- C28 H48 Cu4 N24 O50 P W12 -","- C28 H16 Cu4 N24 O50 P W12 -","- C56 H32 Cu8 N48 O100 P2 W24 -","2","0.125","","Lan, Ya-Qian; Li, Shun-Li; Li, Yang-Guang; Su, Zhong-Min; Shao, Kui-Zhan; Wang, Xin-Long","A novel (4,8)-connected 3D polyoxometalate-based metal‒organic framework containing an in situ ligand","CrystEngComm","2008","10","9","1129","","10.1039/b802627k","","","0.71073","MoKα","","0.0779","0.0589","","","0.1687","0.1821","","","","","","1.066","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202023","14.501","0.003","15.205","0.004","16.228","0.004","80.506","0.003","89.984","0.003","75.23","0.003","3409.2","1.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C64 H84 Cu4 F8 Mo24 N26 O88 P2 -","- C64 H80 Cu4 F8 Mo24 N26 O88 P2 -","- C64 H80 Cu4 F8 Mo24 N26 O88 P2 -","1","0.5","","Lan, Ya-Qian; Li, Shun-Li; Li, Yang-Guang; Su, Zhong-Min; Shao, Kui-Zhan; Wang, Xin-Long","A novel (4,8)-connected 3D polyoxometalate-based metal‒organic framework containing an in situ ligand","CrystEngComm","2008","10","9","1129","","10.1039/b802627k","","","0.71069","MoKα","","0.0833","0.0643","","","0.1694","0.1888","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202024","26.2714","0.0006","7.4956","0.0001","17.4303","0.0004","90","","116.97","0.001","90","","3059.08","0.11","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C6 H17 Cl2 Mg N O9 P2 -","- C6 H17 Cl2 Mg N O9 P2 -","- C48 H136 Cl16 Mg8 N8 O72 P16 -","8","1","","Jokiniemi, Jonna; Peräniemi, Sirpa; Vepsäläinen, Jouko J.; Ahlgrén, Markku","A structural study of alkaline earth metal complexes of (dichloromethylene)bisphosphonic acid P-morpholinium- and P-pyrrolidinium-P′-methyl esters","CrystEngComm","2008","10","8","1011","","10.1039/b802668h","","","0.71073","MoKα","","0.0296","0.025","","","0.0612","0.0635","","","","","","1.044","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202025","8.6449","0.0002","6.1356","0.0001","28.8664","0.0005","90","","98.332","0.001","90","","1514.96","0.05","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 Ba Cl2 N O8 P2 -","- C6 H15 Ba Cl2 N O8 P2 -","- C24 H60 Ba4 Cl8 N4 O32 P8 -","4","1","","Jokiniemi, Jonna; Peräniemi, Sirpa; Vepsäläinen, Jouko J.; Ahlgrén, Markku","A structural study of alkaline earth metal complexes of (dichloromethylene)bisphosphonic acid P-morpholinium- and P-pyrrolidinium-P′-methyl esters","CrystEngComm","2008","10","8","1011","","10.1039/b802668h","","","0.71073","MoKα","","0.0202","0.017","","","0.0377","0.0388","","","","","","1.048","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202026","22.1065","0.0008","9.2205","0.0004","28.5816","0.0008","90","","93.194","0.002","90","","5816.8","0.4","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H29 Cl4 N2 O13.5 P4 Sr2 -","- C12 H29 Cl4 N2 O13.5 P4 Sr2 -","- C96 H232 Cl32 N16 O108 P32 Sr16 -","8","1","","Jokiniemi, Jonna; Peräniemi, Sirpa; Vepsäläinen, Jouko J.; Ahlgrén, Markku","A structural study of alkaline earth metal complexes of (dichloromethylene)bisphosphonic acid P-morpholinium- and P-pyrrolidinium-P′-methyl esters","CrystEngComm","2008","10","8","1011","","10.1039/b802668h","","","0.71073","MoKα","","0.073","0.0475","","","0.0923","0.0995","","","","","","1.186","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202027","15.4913","0.0008","9.6377","0.0004","7.4509","0.0003","90","","102.594","0.002","90","","1085.66","0.08","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Cu N4 O10 -","- C18 H26 Cu N4 O10 -","- C36 H52 Cu2 N8 O20 -","2","0.5","","Choudhury, Somnath Ray; Jana, Atish Dipankar; Chen, Chih-Yuan; Dutta, Amitava; Colacio, Enrique; Lee, Hon Man; Mostafa, Golam; Mukhopadhyay, Subrata","pH-triggered changes in the supramolecular self-assembly of Cu(II) malonate complexes","CrystEngComm","2008","10","10","1358","","10.1039/b802723d","","x-ray","0.71073","MoKα","","0.0255","0.0228","","","0.0659","0.0674","","","","","","1.064","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202028","16.0672","0.0008","14.9408","0.0008","7.1505","0.0003","90","","96.855","0.002","90","","1704.26","0.14","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(E,E)-2-(3-formylbenzylidene)-6-(4- methoxybenzylidene)cyclohexanone","(E,E)-2-(3-formylbenzylidene)-6-(4-methoxybenzylidene)cyclohexanone","","- C22 H20 O3 -","- C22 H20 O3 -","- C88 H80 O12 -","4","1","","Giarrusso, Marilena A.; Higham, Luke T.; Kreher, Ulf P.; Mohan, Ram S.; Rosamilia, Anthony E.; Scott, Janet L.; Strauss, Christopher R.","Platform technology for dienone and phenol‒formaldehyde architectures","Green Chemistry","2008","10","8","842","","10.1039/b802755b","","","0.71073","MoKα","","0.0769","0.0456","","","0.0966","0.1077","","","","","","1.044","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202029","11.446","0.002","15.395","0.003","12.411","0.003","90","","92.07","0.03","90","","2185.5","0.8","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3,3'-(1E,1'E)-(2-oxocyclohexane-1,3-diylidene)bis(methan-1-yl- 1-ylidene)-bis(2-methoxy-5-methylbenzaldehyde)","3,3'-(1E,1'E)-(2-oxocyclohexane-1,3-diylidene)bis(methan-1-yl-1-ylidene)- bis(2-methoxy-5-methylbenzaldehyde)","","- C26 H26 O5 -","- C26 H26 O5 -","- C104 H104 O20 -","4","1","","Giarrusso, Marilena A.; Higham, Luke T.; Kreher, Ulf P.; Mohan, Ram S.; Rosamilia, Anthony E.; Scott, Janet L.; Strauss, Christopher R.","Platform technology for dienone and phenol‒formaldehyde architectures","Green Chemistry","2008","10","8","842","","10.1039/b802755b","","","0.71073","MoKα","","0.0991","0.0469","","","0.1065","0.1243","","","","","","0.951","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202030","14.1051","0.0005","5.984","0.0002","14.3719","0.0006","90","","114.297","0.002","90","","1105.61","0.07","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(2E,2'E)-2,2'-(2,2'-(ethane-1,2-diylbis(oxy))bis(2,1-phenylene))- bis(methan-1-yl-1-ylidene)dicyclohexanone","","- C28 H30 O4 -","- C28 H30 O4 -","- C56 H60 O8 -","2","0.5","","Giarrusso, Marilena A.; Higham, Luke T.; Kreher, Ulf P.; Mohan, Ram S.; Rosamilia, Anthony E.; Scott, Janet L.; Strauss, Christopher R.","Platform technology for dienone and phenol‒formaldehyde architectures","Green Chemistry","2008","10","8","842","","10.1039/b802755b","","","0.71073","MoKα","","0.1256","0.0483","","","0.1118","0.1344","","","","","","0.939","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202031","15.1785","0.0002","15.078","0.0002","16.5313","0.0003","90","","97.645","0.001","90","","3749.75","0.1","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,4:9,10:18,19:25,26-Tetrabenzo-5,8,20,24-tetraoxa-tricyclo[26.3.1.1(12,16)] tritriaconta-1,3,9,11,16,18,25,27-octaene-32,33-dione chloroform water solvate","","- C45.5 H44.5 Cl1.5 O7 -","- C45.5 H44.5 Cl1.5 O7 -","- C182 H178 Cl6 O28 -","4","1","","Giarrusso, Marilena A.; Higham, Luke T.; Kreher, Ulf P.; Mohan, Ram S.; Rosamilia, Anthony E.; Scott, Janet L.; Strauss, Christopher R.","Platform technology for dienone and phenol‒formaldehyde architectures","Green Chemistry","2008","10","8","842","","10.1039/b802755b","","","0.71073","MoKα","","0.1278","0.0625","","","0.1308","0.1538","","","","","","1.048","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202032","12.115","0.0003","22.3638","0.0005","30.838","0.0008","90","","92.377","0.001","90","","8348","0.4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,4:9,10:18,19:27,28-Tetrabenzo-5,8,20,23,26-pentaoxatricyclo[28.3.1.1(12,16)]- pentatriaconta-1(34),3,9,12,14,16(35),18,27,30,32-decaene-34,35-diol chloroform solvate","","- C94 H90 Cl6 O14 -","- C94 H90 Cl6 O14 -","- C376 H360 Cl24 O56 -","4","1","","Giarrusso, Marilena A.; Higham, Luke T.; Kreher, Ulf P.; Mohan, Ram S.; Rosamilia, Anthony E.; Scott, Janet L.; Strauss, Christopher R.","Platform technology for dienone and phenol‒formaldehyde architectures","Green Chemistry","2008","10","8","842","","10.1039/b802755b","","","0.71073","MoKα","","0.2959","0.0939","","","0.1596","0.2157","","","","","","1.009","","","","has coordinates,has disorder","180351","2020-10-21","18:00:00",""
"7202033","14.615","0.008","7.051","0.004","22.65","0.01","90","","91.661","0.006","90","","2333","2","293","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H13 Co N O10 -","- C7 H2 Co N O10 -","- C56 H16 Co8 N8 O80 -","8","1","","Kondo, Mitsuru; Sugahara, Shinji; Nakamura, Yukie; Miyazawa, Makoto; Yasue, Sachie; Maeda, Kenji; Uchida, Fumio; Sakane, Genta; Kawaguchi, Hiroyuki","Self-assembling construction of a novel nanoscale heptacobalt complex with an S-shaped folding","CrystEngComm","2008","10","11","1516","","10.1039/b802854k","","","0.7107","MoKα","","","0.0564","","","","0.078","","","","","","1.839","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202034","12.189","0.004","15.347","0.005","19.466","0.006","79.15","0.01","74.8","0.01","80.59","0.01","3426.1","1.9","293.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C76 H102 Co7 N8 O58 -","- C76 H64 Co7 N8 O58 -","- C76 H64 Co7 N8 O58 -","1","0.5","","Kondo, Mitsuru; Sugahara, Shinji; Nakamura, Yukie; Miyazawa, Makoto; Yasue, Sachie; Maeda, Kenji; Uchida, Fumio; Sakane, Genta; Kawaguchi, Hiroyuki","Self-assembling construction of a novel nanoscale heptacobalt complex with an S-shaped folding","CrystEngComm","2008","10","11","1516","","10.1039/b802854k","","","0.7107","MoKα","","","0.099","","","","0.117","","","","","","1.839","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202035","18.2439","0.0002","14.5934","0.0002","8.428","0.0001","90","","90","","90","","2243.88","0.05","173","","173","","","","","","","","","7","P m m n :2","-P 2ab 2a","59","","","","- C40 H27 Ag2 F6 N19 O6 S2 -","- C40 H27 Ag2 F6 N19 O6 S2 -","- C80 H54 Ag4 F12 N38 O12 S4 -","2","0.25","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Reymann, Sébastien; Schaffner, Silvia","A new twist to 3,6-bis(2-pyridyl)-1,2,4,5-tetrazine complexes of silver(i)","CrystEngComm","2008","10","8","991","","10.1039/b803006e","","","0.71073","MoKα","","0.0996","0.0632","","0.101","0.0719","0.0719","","","","","","1.0738","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202036","13.668","0.003","7.3268","0.0015","20.232","0.004","90","","94.86","0.03","90","","2018.8","0.7","386","2","293","2","","","","","","","L6 and AgNO3 in Water/THF","5","P 1 21/n 1","-P 2yn","14","L6AgNO3.H2O","","","- C32 H40 Ag2 N6 O20 -","- C32 H40 Ag2 N6 O20 -","- C64 H80 Ag4 N12 O40 -","2","0.5","","Sague, Jorge L.; Meuwly, Markus; Fromm, Katharina M.","Counterion effect on the formation of coordination polymer networks between AgNO3 and L (2,2′-oxybis(ethane-2,1-diyl) diisonicotinate). Part 2","CrystEngComm","2008","10","11","1542","","10.1039/b803158d","","x-ray","0.71073","MoKα","","0.0618","0.0454","","","0.1027","0.1125","","","","","","1.078","","","","has coordinates,has disorder","180351","2020-10-21","18:00:00",""
"7202037","6.9203","0.0014","12.156","0.002","12.332","0.003","63.18","0.03","87.13","0.03","79.87","0.03","910.9","0.4","386","2","293","2","","","","","","","L6 and AgNO3 in THF/Water","5","P -1","-P 1","2","L6AgNO3","","","- C32 H32 Ag2 N6 O16 -","- C32 H32 Ag2 N6 O16 -","- C32 H32 Ag2 N6 O16 -","1","0.5","","Sague, Jorge L.; Meuwly, Markus; Fromm, Katharina M.","Counterion effect on the formation of coordination polymer networks between AgNO3 and L (2,2′-oxybis(ethane-2,1-diyl) diisonicotinate). Part 2","CrystEngComm","2008","10","11","1542","","10.1039/b803158d","","x-ray","0.71073","MoKα","","0.0423","0.0386","","","0.0953","0.0985","","","","","","1.066","","","","has coordinates,has disorder","180351","2020-10-21","18:00:00",""
"7202038","6.6811","0.0013","12.263","0.003","22.585","0.004","90","","94.74","0.03","90","","1844.1","0.7","386","2","293","2","","","","","","","L6 and AgNO3 in THF/Water","5","P 1 21/c 1","-P 2ybc","14","L6AgNO3","","","- C32 H32 Ag2 N6 O16 -","- C32 H32 Ag2 N6 O16 -","- C64 H64 Ag4 N12 O32 -","2","0.5","","Sague, Jorge L.; Meuwly, Markus; Fromm, Katharina M.","Counterion effect on the formation of coordination polymer networks between AgNO3 and L (2,2′-oxybis(ethane-2,1-diyl) diisonicotinate). Part 2","CrystEngComm","2008","10","11","1542","","10.1039/b803158d","","x-ray","0.71073","MoKα","","0.2719","0.1237","","","0.2162","0.2764","","","","","","1.032","","","","has coordinates,has disorder","180351","2020-10-21","18:00:00",""
"7202039","28.945","0.007","8.655","0.002","14.105","0.004","90","","116.326","0.004","90","","3167.1","1.4","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H14 Eu O8 -","- C22 H14 Eu O8 -","- C88 H56 Eu4 O32 -","4","1","","Han, Yin-Feng; Zhou, Xin-Hui; Zheng, You-Xuan; Shen, Zhen; Song, You; You, Xiao-Zeng","Syntheses, structures, photoluminescence, and magnetic properties of nanoporous 3D lanthanide coordination polymers with 4,4′-biphenyldicarboxylate ligand","CrystEngComm","2008","10","9","1237","","10.1039/b803168a","","","0.71073","MoKα","","0.0755","0.0681","","","0.1828","0.1875","","","","","","1.115","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202040","29.007","0.006","8.6876","0.0017","14.166","0.003","90","","116.276","0.003","90","","3201","1.1","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H14 O8 Sm -","- C22 H14 O8 Sm -","- C88 H56 O32 Sm4 -","4","1","","Han, Yin-Feng; Zhou, Xin-Hui; Zheng, You-Xuan; Shen, Zhen; Song, You; You, Xiao-Zeng","Syntheses, structures, photoluminescence, and magnetic properties of nanoporous 3D lanthanide coordination polymers with 4,4′-biphenyldicarboxylate ligand","CrystEngComm","2008","10","9","1237","","10.1039/b803168a","","","0.71073","MoKα","","0.0692","0.0684","","","0.1976","0.1986","","","","","","1.091","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202041","27.615","0.01","8.842","0.003","14.318","0.005","90","","114.311","0.004","90","","3186","1.9","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H14 La O8 -","- C22 H14 La O8 -","- C88 H56 La4 O32 -","4","1","","Han, Yin-Feng; Zhou, Xin-Hui; Zheng, You-Xuan; Shen, Zhen; Song, You; You, Xiao-Zeng","Syntheses, structures, photoluminescence, and magnetic properties of nanoporous 3D lanthanide coordination polymers with 4,4′-biphenyldicarboxylate ligand","CrystEngComm","2008","10","9","1237","","10.1039/b803168a","","","0.71073","MoKα","","0.0696","0.0663","","","0.1919","0.1981","","","","","","1.119","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202042","28.912","0.008","8.789","0.002","14.257","0.004","90","","116.141","0.007","90","","3252.2","1.5","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H14 Ce O8 -","- C22 H14 Ce O8 -","- C88 H56 Ce4 O32 -","4","1","","Han, Yin-Feng; Zhou, Xin-Hui; Zheng, You-Xuan; Shen, Zhen; Song, You; You, Xiao-Zeng","Syntheses, structures, photoluminescence, and magnetic properties of nanoporous 3D lanthanide coordination polymers with 4,4′-biphenyldicarboxylate ligand","CrystEngComm","2008","10","9","1237","","10.1039/b803168a","","","0.71073","MoKα","","0.0648","0.0629","","","0.1838","0.1855","","","","","","1.133","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202043","28.905","0.008","8.622","0.003","14.066","0.004","90","","116.395","0.005","90","","3140.1","1.7","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H14 Gd O8 -","- C22 H14 Gd O8 -","- C88 H56 Gd4 O32 -","4","1","","Han, Yin-Feng; Zhou, Xin-Hui; Zheng, You-Xuan; Shen, Zhen; Song, You; You, Xiao-Zeng","Syntheses, structures, photoluminescence, and magnetic properties of nanoporous 3D lanthanide coordination polymers with 4,4′-biphenyldicarboxylate ligand","CrystEngComm","2008","10","9","1237","","10.1039/b803168a","","","0.71073","MoKα","","0.1077","0.0978","","","0.2416","0.2495","","","","","","1.053","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202044","28.769","0.012","8.723","0.003","14.179","0.006","90","","116.028","0.011","90","","3197","2","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H14 Nd O8 -","- C22 H14 Nd O8 -","- C88 H56 Nd4 O32 -","4","1","","Han, Yin-Feng; Zhou, Xin-Hui; Zheng, You-Xuan; Shen, Zhen; Song, You; You, Xiao-Zeng","Syntheses, structures, photoluminescence, and magnetic properties of nanoporous 3D lanthanide coordination polymers with 4,4′-biphenyldicarboxylate ligand","CrystEngComm","2008","10","9","1237","","10.1039/b803168a","","","0.71073","MoKα","","0.0731","0.0676","","","0.1903","0.1935","","","","","","1.163","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202045","9.8988","0.0005","9.8988","0.0005","36.629","0.004","90","","90","","120","","3108.3","0.4","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H36 B2 Cd F8 N12 -","- C36 H36 B2 Cd F8 N12 -","- C108 H108 B6 Cd3 F24 N36 -","3","0.166667","","Xu, Guan-Cheng; Ding, Yu-Jie; Okamura, Taka-aki; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Structure diversity and reversible anion exchange properties of cadmium(ii) complexes with 1,3,5-tris(imidazol-1-ylmethyl)benzene: counteranion-directed flexible ligand conformational variation","CrystEngComm","2008","10","8","1052","","10.1039/b803236j","","","0.71073","MoKα","","0.0488","0.0441","","","0.1013","0.1039","","","","","","1","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202046","22.183","0.007","14.357","0.004","17.947","0.004","90","","128.555","0.009","90","","4470","2","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(Cd(tib)2)(NO3)2-2(EtOH)","[Cd(tib)2](NO3)2-2(EtOH)","","- C40 H48 Cd N14 O8 -","- C40 H46 Cd N14 O8 -","- C160 H184 Cd4 N56 O32 -","4","0.5","","Xu, Guan-Cheng; Ding, Yu-Jie; Okamura, Taka-aki; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Structure diversity and reversible anion exchange properties of cadmium(ii) complexes with 1,3,5-tris(imidazol-1-ylmethyl)benzene: counteranion-directed flexible ligand conformational variation","CrystEngComm","2008","10","8","1052","","10.1039/b803236j","","","0.71075","MoKα","","0.0599","0.0498","","","0.1232","0.1285","","","","","","1.056","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202047","14.294","0.002","17.334","0.003","22.245","0.002","90","","99.827","0.008","90","","5430.8","1.3","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(Cd(tib)(OAc)2)-4.5(H2O)","[Cd(tib)(OAc)2]-4.5(H2O)","","- C22 H33 Cd N6 O8.5 -","- C22 H33 Cd N6 O8.5 -","- C176 H264 Cd8 N48 O68 -","8","1","","Xu, Guan-Cheng; Ding, Yu-Jie; Okamura, Taka-aki; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Structure diversity and reversible anion exchange properties of cadmium(ii) complexes with 1,3,5-tris(imidazol-1-ylmethyl)benzene: counteranion-directed flexible ligand conformational variation","CrystEngComm","2008","10","8","1052","","10.1039/b803236j","","","0.71075","MoKα","","0.0436","0.0316","","","0.0647","0.0692","","","","","","1.034","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202048","9.78","0.002","10.532","0.002","11.572","0.002","63.37","0.03","77.83","0.03","82.84","0.03","1040.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H21 Cd Cl2 N6 O -","- C19 H21 Cd Cl2 N6 O -","- C38 H42 Cd2 Cl4 N12 O2 -","2","1","","Xu, Guan-Cheng; Ding, Yu-Jie; Okamura, Taka-aki; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Structure diversity and reversible anion exchange properties of cadmium(ii) complexes with 1,3,5-tris(imidazol-1-ylmethyl)benzene: counteranion-directed flexible ligand conformational variation","CrystEngComm","2008","10","8","1052","","10.1039/b803236j","","","0.71073","MoKα","","0.0742","0.0536","","","0.0666","0.0705","","","","","","1.001","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202049","10.7409","0.0016","10.2112","0.0015","19.623","0.003","90","","103.429","0.003","90","","2093.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Cd Cl2 N12 O6 -","- C36 H48 Cd Cl2 N12 O6 -","- C72 H96 Cd2 Cl4 N24 O12 -","2","0.5","","Xu, Guan-Cheng; Ding, Yu-Jie; Okamura, Taka-aki; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Structure diversity and reversible anion exchange properties of cadmium(ii) complexes with 1,3,5-tris(imidazol-1-ylmethyl)benzene: counteranion-directed flexible ligand conformational variation","CrystEngComm","2008","10","8","1052","","10.1039/b803236j","","","0.71073","MoKα","","0.0697","0.0545","","","0.1274","0.1371","","","","","","1","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202050","9.795","0.005","11.219","0.006","13.129","0.006","64.551","0.016","67.682","0.016","74.765","0.019","1196.6","1.1","200","","200","","","","","","","","","5","P -1","-P 1","2","(Cd(XG4)2)(Cd2I6)?","[Cd(XG4)2][Cd2I6]?","","- C36 H36 Cd3 I6 N12 -","- C36 H36 Cd3 I6 N12 -","- C36 H36 Cd3 I6 N12 -","1","0.5","","Xu, Guan-Cheng; Ding, Yu-Jie; Okamura, Taka-aki; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Structure diversity and reversible anion exchange properties of cadmium(ii) complexes with 1,3,5-tris(imidazol-1-ylmethyl)benzene: counteranion-directed flexible ligand conformational variation","CrystEngComm","2008","10","8","1052","","10.1039/b803236j","","","0.71075","MoKα","","0.0477","0.0397","","","0.0899","0.0938","","","","","","1.04","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202051","10.031","0.0002","10.031","0.0002","29.979","0.0006","90","","90","","90","","3016.52","0.1","120","2","120","2","","","","","","","Roberto Quesada","7","I 4/m","-I 4","87","","","","- C14.5 H33.25 Cl N8 O3 Pt S4 -","- C14.5 H32 Cl N8 O3 Pt S4 -","- C58 H128 Cl4 N32 O12 Pt4 S16 -","4","0.25","","Fisher, Matthew G.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Hydrogen bonded networks in N‒alkyl substituted thiourea platinum (II) oxocarbodianion and carboxylate salts","CrystEngComm","2008","10","9","1180","","10.1039/b803260b","","","0.71069","MoKα","","0.0267","0.0239","","","0.0539","0.0548","","","","","","1.059","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202052","8.674","0.005","9.39","0.005","9.551","0.005","90.064","0.005","112.979","0.005","104.68","0.005","688.4","0.7","120","2","120","2","","","","","","","Roberto Quesada","6","P -1","-P 1","2","","","","- C18 H32 N8 O6 Pt S4 -","- C18 H32 N8 O6 Pt S4 -","- C18 H32 N8 O6 Pt S4 -","1","0.5","","Fisher, Matthew G.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Hydrogen bonded networks in N‒alkyl substituted thiourea platinum (II) oxocarbodianion and carboxylate salts","CrystEngComm","2008","10","9","1180","","10.1039/b803260b","","","0.71073","MoKα","","0.0741","0.0659","","","0.1563","0.1634","","","","","","1.043","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202053","10.5428","0.0003","14.2305","0.0003","17.6424","0.0005","90","","90","","90","","2646.88","0.12","120","2","120","2","","","","","","","Roberto Quesada","6","P c c n","-P 2ab 2ac","56","","","","- C14 H24 N8 O6 Pt S4 -","- C14 H24 N8 O6 Pt S4 -","- C56 H96 N32 O24 Pt4 S16 -","4","0.5","","Fisher, Matthew G.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Hydrogen bonded networks in N‒alkyl substituted thiourea platinum (II) oxocarbodianion and carboxylate salts","CrystEngComm","2008","10","9","1180","","10.1039/b803260b","","","0.71073","MoKα","","0.0725","0.0387","","","0.0797","0.0892","","","","","","1.025","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202054","8.69","0.0001","9.178","0.0002","9.543","0.0002","85.112","0.001","65.951","0.001","65.564","0.001","629.6","0.02","120","2","120","2","","","","","","","Roberto Quesada","6","P -1","-P 1","2","","","","- C16 H32 N8 O4 Pt S4 -","- C16 H32 N8 O4 Pt S4 -","- C16 H32 N8 O4 Pt S4 -","1","0.5","","Fisher, Matthew G.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Hydrogen bonded networks in N‒alkyl substituted thiourea platinum (II) oxocarbodianion and carboxylate salts","CrystEngComm","2008","10","9","1180","","10.1039/b803260b","","","0.71073","MoKα","","0.0185","0.0185","","","0.0393","0.0394","","","","","","1.04","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202055","9.9248","0.0002","11.2125","0.0003","11.4504","0.0003","62.074","0.001","86.405","0.001","87.683","0.001","1123.54","0.05","120","2","120","2","","","","","","","Roberto Quesada","6","P -1","-P 1","2","","","","- C12 H24 N8 O4 Pt S4 -","- C12 H24 N8 O4 Pt S4 -","- C24 H48 N16 O8 Pt2 S8 -","2","1","","Fisher, Matthew G.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Hydrogen bonded networks in N‒alkyl substituted thiourea platinum (II) oxocarbodianion and carboxylate salts","CrystEngComm","2008","10","9","1180","","10.1039/b803260b","","","0.71073","MoKα","","0.019","0.018","","","0.0425","0.0429","","","","","","1.023","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202056","9.079","0.0002","10.1629","0.0002","18.0682","0.0003","86.435","0.001","75.88","0.001","70.191","0.001","1520.71","0.05","120","2","120","2","","","","","","","Robeto Quesada","6","P -1","-P 1","2","","","","- C21 H32 N8 O9 Pt S4 -","- C21 H32 N8 O9 Pt S4 -","- C42 H64 N16 O18 Pt2 S8 -","2","1","","Fisher, Matthew G.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Hydrogen bonded networks in N‒alkyl substituted thiourea platinum (II) oxocarbodianion and carboxylate salts","CrystEngComm","2008","10","9","1180","","10.1039/b803260b","","","0.71069","MoKα","","0.0341","0.0243","","","0.048","0.0507","","","","","","1.045","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202057","8.933","0.0002","9.1168","0.0002","10.3243","0.0003","73.117","0.001","89.962","0.001","74.79","0.001","773.79","0.03","120","2","120","2","","","","","","","Roberto Quesada","6","P -1","-P 1","2","","","","- C22 H32 N8 O10 Pt S4 -","- C22 H32 N8 O10 Pt S4 -","- C22 H32 N8 O10 Pt S4 -","1","0.5","","Fisher, Matthew G.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Hydrogen bonded networks in N‒alkyl substituted thiourea platinum (II) oxocarbodianion and carboxylate salts","CrystEngComm","2008","10","9","1180","","10.1039/b803260b","","","0.71073","MoKα","","0.0197","0.0196","","","0.0413","0.0414","","","","","","1.05","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202058","13.882","0.005","8.601","0.005","11.59","0.005","90","","90","","90","","1383.8","1.1","120","2","120","2","","","","","","","Roberto Quesada","6","P n n m","-P 2 2n","58","","","","- C20 H24 N8 O4 Pt S4 -","- C20 H24 N8 O4 Pt S4 -","- C40 H48 N16 O8 Pt2 S8 -","2","0.25","","Fisher, Matthew G.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Hydrogen bonded networks in N‒alkyl substituted thiourea platinum (II) oxocarbodianion and carboxylate salts","CrystEngComm","2008","10","9","1180","","10.1039/b803260b","","","0.71069","MoKα","","0.0559","0.0484","","","0.1581","0.1614","","","","","","1.276","","","","has coordinates,has disorder","180351","2020-10-21","18:00:00",""
"7202059","8.3659","0.0002","9.7365","0.0001","12.5373","0.0003","90.805","0.002","98.259","0.001","113.852","0.002","921.37","0.04","120","2","120","2","","","","","","","Roberto Quesada","6","P -1","-P 1","2","","","","- C32 H34 N8 O8 Pt S4 -","- C32 H34 N8 O8 Pt S4 -","- C32 H34 N8 O8 Pt S4 -","1","0.5","","Fisher, Matthew G.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Hydrogen bonded networks in N‒alkyl substituted thiourea platinum (II) oxocarbodianion and carboxylate salts","CrystEngComm","2008","10","9","1180","","10.1039/b803260b","","","0.71073","MoKα","","0.0218","0.0216","","","0.0504","0.0505","","","","","","1.036","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202060","9.558","0.0002","9.934","0.0002","11.159","0.0002","80.721","0.001","78.108","0.001","86.762","0.001","1022.93","0.04","120","2","120","2","","","","","","","Roberto Quesada","6","P -1","-P 1","2","","","","- C40 H38 N8 O8 Pt S4 -","- C40 H38 N8 O8 Pt S4 -","- C40 H38 N8 O8 Pt S4 -","1","0.5","","Fisher, Matthew G.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Hydrogen bonded networks in N‒alkyl substituted thiourea platinum (II) oxocarbodianion and carboxylate salts","CrystEngComm","2008","10","9","1180","","10.1039/b803260b","","","0.71069","MoKα","","0.0338","0.0277","","","0.0571","0.0588","","","","","","1.052","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202061","15.5514","0.0002","15.5514","0.0002","22.5951","0.0007","90","","90","","90","","5464.5","0.2","100","2","100","2","","","","","","","","4","P 4/n n c :2","-P 4a 2bc","126","p-hexanoylcalix(4)arene","p-hexanoylcalix[4]arene","","- C115.76 H152.28 N O18.88 -","- C116.76 H152.28 N O18.88 -","- C233.52 H304.56 N2 O37.76 -","2","0.125","","Polovyanenko, Dmitriy N.; Bagryanskaya, Elena G.; Schnegg, Alexander; Möbius, Klaus; Coleman, Anthony W.; Ananchenko, Gennady S.; Udachin, Konstantin A.; Ripmeester, John A.","Inclusion of 4-methoxy-2,2,6,6-tetramethylpiperidine-N-oxyl in a calixarene nanocapsule in the solid state","Physical Chemistry Chemical Physics","2008","10","34","5299","5307","10.1039/b803296c","","","0.7107","MoKα","","0.1181","0.0716","","","0.1845","0.2467","","","","","","1.181","","","","has coordinates,has disorder","180351","2020-10-21","18:00:00",""
"7202062","8.6165","0.0004","14.8416","0.0007","24.394","0.0012","90","","90","","90","","3119.6","0.3","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H34 N O6 P -","- C36 H34 N O6 P -","- C144 H136 N4 O24 P4 -","4","1","","Imai, Yoshitane; Murata, Katuzo; Matsuno, Hideki; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Formation of supramolecular host system with multiple chiral points (central, axial, and helical) by using (1R,2S)-2-amino-1,2-diphenylethanol","CrystEngComm","2008","10","8","947","","10.1039/b803331p","","","0.71073","MoKα","","0.0476","0.0433","","","0.0991","0.1016","","","","","","1.028","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202063","8.6388","0.0008","14.7982","0.0014","24.537","0.002","90","","90","","90","","3136.8","0.5","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H36 N O6 P -","- C37 H36 N O6 P -","- C148 H144 N4 O24 P4 -","4","1","","Imai, Yoshitane; Murata, Katuzo; Matsuno, Hideki; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Formation of supramolecular host system with multiple chiral points (central, axial, and helical) by using (1R,2S)-2-amino-1,2-diphenylethanol","CrystEngComm","2008","10","8","947","","10.1039/b803331p","","","0.71073","MoKα","","0.0817","0.0758","","","0.1693","0.172","","","","","","1.195","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202064","8.7098","0.0006","14.6885","0.0011","24.5732","0.0018","90","","90","","90","","3143.7","0.4","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H36 N O6 P -","- C37 H36 N O6 P -","- C148 H144 N4 O24 P4 -","4","1","","Imai, Yoshitane; Murata, Katuzo; Matsuno, Hideki; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Formation of supramolecular host system with multiple chiral points (central, axial, and helical) by using (1R,2S)-2-amino-1,2-diphenylethanol","CrystEngComm","2008","10","8","947","","10.1039/b803331p","","","0.71073","MoKα","","0.0695","0.0542","","","0.1031","0.1091","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202065","15.2273","0.0015","9.6988","0.0009","17.8475","0.0017","90","","110.874","0.002","90","","2462.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 Ag N2 O4 -","- C28 H29 Ag N2 O4 -","- C112 H116 Ag4 N8 O16 -","4","1","","Zheng, Guo-li; Li, Yin-Yan; Deng, Rui-Ping; Song, Shu-Yan; Zhang, Hong-Jie","Self-assembly of guest-induced calix[4]arene nanocapsules into three-dimensional molecular architecture","CrystEngComm","2008","10","6","658","","10.1039/b803361g","","","0.71073","MoKα","","0.1374","0.053","","","0.0816","0.1057","","","","","","0.957","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202066","27.1014","0.0014","30.1316","0.0015","19.726","0.001","90","","90","","90","","16108.4","1.4","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C75 H83 Ag7 Cl K2 N4 O31.5 -","- C75 H68 Ag7 Cl K2 N4 O31.5 -","- C600 H544 Ag56 Cl8 K16 N32 O252 -","8","1","","Zheng, Guo-li; Li, Yin-Yan; Deng, Rui-Ping; Song, Shu-Yan; Zhang, Hong-Jie","Self-assembly of guest-induced calix[4]arene nanocapsules into three-dimensional molecular architecture","CrystEngComm","2008","10","6","658","","10.1039/b803361g","","","0.71073","MoKα","","0.121","0.0955","","","0.2575","0.2874","","","","","","1.039","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202067","8.593","0.002","8.85","0.003","9.927","0.003","90","","112.927","0.005","90","","695.3","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N6 O2 -","- C14 H16 N6 O2 -","- C28 H32 N12 O4 -","2","0.5","","Adarsh, N. N.; Kumar, D. Krishna; Dastidar, Parthasarathi","Zn(II) metal‒organic frameworks (MOFs) derived from a bis-pyridyl-bis-urea ligand: effects of crystallization solvents on the structures and anion binding properties","CrystEngComm","2008","10","11","1565","","10.1039/b803410a","","","0.71073","MoKα","","0.053","0.0405","","","0.1042","0.1112","","","","","","1.046","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202068","7.6927","0.0007","9.7564","0.0009","17.2857","0.0017","81.067","0.002","81.968","0.002","86.102","0.002","1267.6","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H32 N6 O13 S Zn -","- C16 H32 N6 O13 S Zn -","- C32 H64 N12 O26 S2 Zn2 -","2","1","","Adarsh, N. N.; Kumar, D. Krishna; Dastidar, Parthasarathi","Zn(II) metal‒organic frameworks (MOFs) derived from a bis-pyridyl-bis-urea ligand: effects of crystallization solvents on the structures and anion binding properties","CrystEngComm","2008","10","11","1565","","10.1039/b803410a","","","0.71073","MoKα","","0.0485","0.0409","","","0.0907","0.0944","","","","","","1.001","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202069","13.0983","0.0012","13.9309","0.0012","24.194","0.002","90","","94.795","0.002","90","","4399.3","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H56 N12 O14 S Zn -","- C36 H48 N12 O14 S Zn -","- C144 H192 N48 O56 S4 Zn4 -","4","1","","Adarsh, N. N.; Kumar, D. Krishna; Dastidar, Parthasarathi","Zn(II) metal‒organic frameworks (MOFs) derived from a bis-pyridyl-bis-urea ligand: effects of crystallization solvents on the structures and anion binding properties","CrystEngComm","2008","10","11","1565","","10.1039/b803410a","","","0.71073","MoKα","","0.0971","0.0689","","","0.1662","0.1818","","","","","","1.074","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202070","13.1959","0.0016","13.9981","0.0017","23.607","0.003","90","","94.712","0.002","90","","4345.9","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H52 N12 O14 S Zn -","- C34 H36 N12 O14 S Zn -","- C136 H144 N48 O56 S4 Zn4 -","4","1","","Adarsh, N. N.; Kumar, D. Krishna; Dastidar, Parthasarathi","Zn(II) metal‒organic frameworks (MOFs) derived from a bis-pyridyl-bis-urea ligand: effects of crystallization solvents on the structures and anion binding properties","CrystEngComm","2008","10","11","1565","","10.1039/b803410a","","","0.71073","MoKα","","0.1297","0.088","","","0.2163","0.2359","","","","","","1.31","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202071","13.3717","0.0009","13.695","0.0009","24.4168","0.0017","90","","96.412","0.001","90","","4443.4","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H56 N12 O16 S Zn -","- C36 H56 N12 O16 S Zn -","- C144 H224 N48 O64 S4 Zn4 -","4","1","","Adarsh, N. N.; Kumar, D. Krishna; Dastidar, Parthasarathi","Zn(II) metal‒organic frameworks (MOFs) derived from a bis-pyridyl-bis-urea ligand: effects of crystallization solvents on the structures and anion binding properties","CrystEngComm","2008","10","11","1565","","10.1039/b803410a","","","0.71073","MoKα","","0.0722","0.0569","","","0.1523","0.1626","","","","","","1.104","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202072","27.1492","0.0011","6.0119","0.0002","7.2935","0.0003","90","","90","","90","","1190.43","0.08","293","2","293","2","","","","","","","","4","P 21 c a","P -2ac 2a","29","","","","- C12 H10 Pb S2 -","- C12 H10 Pb S2 -","- C48 H40 Pb4 S8 -","4","1","","Giffard, Michel; Mercier, Nicolas; Gravoueille, Benoît; Ripaud, Emilie; Luc, Jerôme; Sahraoui, Bouchta","Polymorphism of lead(ii) benzenethiolate: a noncentrosymmetric new allotropic form of Pb(SPh)2","CrystEngComm","2008","10","8","968","","10.1039/b803434f","","x-ray","0.71073","MoKα","","","0.027","","","","0.0454","","","","","","1.032","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7202073","27.0798","0.0013","5.7437","0.0003","7.452","0.003","90","","90","","90","","1159.1","0.5","293","2","293","2","","","","","","","","4","P m c n","-P 2n 2a","62","","","","- C12 H10 Pb S2 -","- C12 H10 Pb S2 -","- C48 H40 Pb4 S8 -","4","0.5","","Giffard, Michel; Mercier, Nicolas; Gravoueille, Benoît; Ripaud, Emilie; Luc, Jerôme; Sahraoui, Bouchta","Polymorphism of lead(ii) benzenethiolate: a noncentrosymmetric new allotropic form of Pb(SPh)2","CrystEngComm","2008","10","8","968","","10.1039/b803434f","","x-ray","0.71073","MoKα","","","0.0357","","","","0.0627","","","","","","1.033","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7202076","13.0859","0.0029","17.6276","0.0026","14.3952","0.0027","90","","93.396","0.016","90","","3314.8","1.1","296.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H41 F6 P4 Rh -","- C31 H41 F6 P4 Rh -","- C124 H164 F24 P16 Rh4 -","4","1","","Bernard, Guy M.; Feindel, Kirk W.; Wasylishen, Roderick E.; Cameron, T. Stanley","Solid-state phosphorus-31 NMR spectroscopy of a multiple-spin system: an investigation of a rhodium‒triphosphine complex","Physical Chemistry Chemical Physics","2008","10","36","5552","5563","10.1039/b803596b","","","1.54178","CuKα","","","0.035","","","","0.1052","","","","","","1.019","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202077","14.498","0.003","21.071","0.005","22.764","0.005","67.934","0.004","77.079","0.004","84.601","0.004","6281","2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C136 H117 Ag3 Cr N4 O20.27 P7 -","- C136 H105 Ag3 Cr N4 O20.27 P7 -","- C272 H210 Ag6 Cr2 N8 O40.54 P14 -","2","1","","Dean, Philip A. W.; Craig, Donald C.; Scudder, Marcia L.; Dance, Ian G.","The crystallisation and packing of [Cr(C2O4Ag(PPh3)2)3] (Ph3P/Ph3PO) (MeNO2)4","CrystEngComm","2008","10","8","1044","","10.1039/b803643h","","x-ray","0.71073","MoKα","","","0.066","","","","0.103","","","","","","1.71","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202078","15.083","0.002","20.531","0.003","3.6656","0.0006","90","","90","","90","","1135.1","0.3","293","2","293","2","","","","","","","","6","C 2 2 2","C 2 2","21","","","","- C20 H16 Cl Cu2 N5 O3 -","- C20 H16 Cl Cu2 N5 O3 -","- C40 H32 Cl2 Cu4 N10 O6 -","2","0.25","","Hao, Hong-Qing; Wang, Jing; Liu, Wen-Ting; Tong, Ming-Liang","Two 3D hybrid networks of mog and bcu topology constructed with copper(I/I,II) halides and N,N′-spacers","CrystEngComm","2008","10","10","1454","","10.1039/b803728k","","","0.71073","MoKα","","0.0752","0.0674","","","0.1986","0.2075","","","","","","1.175","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202079","15.5963","0.0002","9.1944","0.0001","24.2176","0.0002","90","","101.474","0.001","90","","3403.37","0.06","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H74 Cl2 Cu4 N8 O13 -","- C68 H64 Cl2 Cu4 N8 O13 -","- C136 H128 Cl4 Cu8 N16 O26 -","2","0.5","","Hao, Hong-Qing; Wang, Jing; Liu, Wen-Ting; Tong, Ming-Liang","Two 3D hybrid networks of mog and bcu topology constructed with copper(I/I,II) halides and N,N′-spacers","CrystEngComm","2008","10","10","1454","","10.1039/b803728k","","","1.54178","CuKα","","0.06","0.0456","","","0.1245","0.1311","","","","","","1.109","","","","has coordinates,has disorder","180351","2020-10-21","18:00:00",""
"7202080","11.7254","0.0012","12.6702","0.0013","16.507","0.003","96.307","0.002","96.961","0.002","113.76","0.001","2193.7","0.5","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H32 Co2 N12 O16 S4 -","- C36 H32 Co2 N12 O16 S4 -","- C72 H64 Co4 N24 O32 S8 -","2","1","","Zhang, Zhi-Hui; Du, Miao","Flexible and versatile anionic modules in the direction of 1-D, 2-D, and 3-D coordination frameworks by metal‒ligand synergistic interactions","CrystEngComm","2008","10","10","1350","","10.1039/b803736a","","","0.71073","MoKα","","0.0562","0.0381","","","0.1012","0.1116","","","","","","1.045","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202081","8.345","0.005","11.673","0.007","12.642","0.007","113.281","0.007","95.691","0.008","98.615","0.008","1101.3","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 N6 O8 S2 Zn -","- C18 H16 N6 O8 S2 Zn -","- C36 H32 N12 O16 S4 Zn2 -","2","1","","Zhang, Zhi-Hui; Du, Miao","Flexible and versatile anionic modules in the direction of 1-D, 2-D, and 3-D coordination frameworks by metal‒ligand synergistic interactions","CrystEngComm","2008","10","10","1350","","10.1039/b803736a","","","0.71073","MoKα","","0.0478","0.0329","","","0.0767","0.0803","","","","","","1.002","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202082","24.2121","0.0019","11.5806","0.0006","7.8686","0.0006","90","","99.652","0.001","90","","2175.1","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 N6 O7 Pb S2 -","- C18 H14 N6 O7 Pb S2 -","- C72 H56 N24 O28 Pb4 S8 -","4","0.5","","Zhang, Zhi-Hui; Du, Miao","Flexible and versatile anionic modules in the direction of 1-D, 2-D, and 3-D coordination frameworks by metal‒ligand synergistic interactions","CrystEngComm","2008","10","10","1350","","10.1039/b803736a","","","0.71073","MoKα","","0.0188","0.0164","","","0.0361","0.0367","","","","","","1.045","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202083","7.491","0.0007","14.3672","0.0013","22.775","0.002","90","","90","","90","","2451.2","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Cu N6 O9 S2 -","- C18 H18 Cu N6 O9 S2 -","- C72 H72 Cu4 N24 O36 S8 -","4","1","","Zhang, Zhi-Hui; Du, Miao","Flexible and versatile anionic modules in the direction of 1-D, 2-D, and 3-D coordination frameworks by metal‒ligand synergistic interactions","CrystEngComm","2008","10","10","1350","","10.1039/b803736a","","","0.71073","MoKα","","0.0325","0.03","","","0.0928","0.0948","","","","","","1.047","","","","has coordinates,has disorder","180351","2020-10-21","18:00:00",""
"7202084","4.7162","0.0004","26.4099","0.0019","8.1806","0.0006","90","","105.484","0.001","90","","981.95","0.13","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Cd N6 O6 S2 -","- C18 H12 Cd N6 O6 S2 -","- C36 H24 Cd2 N12 O12 S4 -","2","0.5","","Zhang, Zhi-Hui; Du, Miao","Flexible and versatile anionic modules in the direction of 1-D, 2-D, and 3-D coordination frameworks by metal‒ligand synergistic interactions","CrystEngComm","2008","10","10","1350","","10.1039/b803736a","","","0.71073","MoKα","","0.022","0.0199","","","0.0459","0.0469","","","","","","1.047","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202085","10.957","0.0011","9.9635","0.001","15.4573","0.0015","90","","94.426","0.002","90","","1682.4","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N4 -","- C20 H18 N4 -","- C80 H72 N16 -","4","1","","Carlucci, Lucia; Ciani, Gianfranco; Maggini, Simona; Proserpio, Davide M.","Metal‒organic coordination frameworks assembled with the long flexible ligand 4,4′-bis(imidazol-1-ylmethyl)biphenyl","CrystEngComm","2008","10","9","1191","","10.1039/b803815e","","","0.71073","MoKα","","0.1687","0.059","","0.177","0.134","","","","0.986","","","","","","","has coordinates,has disorder","180351","2020-10-21","18:00:00",""
"7202086","4.7126","0.001","15.269","0.003","24.148","0.005","90","","94.024","0.003","90","","1733.3","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N4 O -","- C20 H20 N4 O -","- C80 H80 N16 O4 -","4","1","","Carlucci, Lucia; Ciani, Gianfranco; Maggini, Simona; Proserpio, Davide M.","Metal‒organic coordination frameworks assembled with the long flexible ligand 4,4′-bis(imidazol-1-ylmethyl)biphenyl","CrystEngComm","2008","10","9","1191","","10.1039/b803815e","","","0.71073","MoKα","","0.1641","0.069","","0.1625","0.1291","","","","1.007","","","","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202087","9.459","0.002","14.67","0.003","15.634","0.003","75.506","0.002","75.031","0.003","88.204","0.003","2027.8","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 F6 N4 P -","- C20 H19 F6 N4 P -","- C80 H76 F24 N16 P4 -","4","2","","Carlucci, Lucia; Ciani, Gianfranco; Maggini, Simona; Proserpio, Davide M.","Metal‒organic coordination frameworks assembled with the long flexible ligand 4,4′-bis(imidazol-1-ylmethyl)biphenyl","CrystEngComm","2008","10","9","1191","","10.1039/b803815e","","","0.71073","MoKα","","0.1651","0.0727","","0.2447","0.1873","","","","1.051","","","","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202088","7.6483","0.0004","30.7546","0.0016","11.2156","0.0006","90","","90","","90","","2638.1","0.2","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H20 Cd N4 O5 S -","- C20 H20 Cd N4 O5 S -","- C80 H80 Cd4 N16 O20 S4 -","4","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Maggini, Simona; Proserpio, Davide M.","Metal‒organic coordination frameworks assembled with the long flexible ligand 4,4′-bis(imidazol-1-ylmethyl)biphenyl","CrystEngComm","2008","10","9","1191","","10.1039/b803815e","","","0.71073","MoKα","","0.0769","0.0609","","0.1579","0.1503","","","","1.156","","","","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202089","9.946","0.0008","13.3417","0.0011","14.7986","0.0012","75.858","0.001","87.671","0.001","81.244","0.001","1882","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H36 Cd N10 O6 -","- C40 H36 Cd N10 O6 -","- C80 H72 Cd2 N20 O12 -","2","1","","Carlucci, Lucia; Ciani, Gianfranco; Maggini, Simona; Proserpio, Davide M.","Metal‒organic coordination frameworks assembled with the long flexible ligand 4,4′-bis(imidazol-1-ylmethyl)biphenyl","CrystEngComm","2008","10","9","1191","","10.1039/b803815e","","","0.71003","MoKα","","0.071","0.0463","","0.1078","0.0975","","","","1.027","","","","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202090","7.7149","0.0007","9.1923","0.0009","12.6485","0.0012","91.84","0.001","92.217","0.001","110.668","0.001","837.64","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H36 Cd N4 O8 S2 -","- C34 H36 Cd N4 O8 S2 -","- C34 H36 Cd N4 O8 S2 -","1","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Maggini, Simona; Proserpio, Davide M.","Metal‒organic coordination frameworks assembled with the long flexible ligand 4,4′-bis(imidazol-1-ylmethyl)biphenyl","CrystEngComm","2008","10","9","1191","","10.1039/b803815e","","","0.71073","MoKα","","0.0421","0.0334","","0.0784","0.0739","","","","1.046","","","","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202091","9.0753","0.0019","9.997","0.002","17.486","0.004","91.871","0.003","93.356","0.003","108.918","0.002","1495.9","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H70 Cd N8 O12 S2 -","- C58 H70 Cd N8 O12 S2 -","- C58 H70 Cd N8 O12 S2 -","1","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Maggini, Simona; Proserpio, Davide M.","Metal‒organic coordination frameworks assembled with the long flexible ligand 4,4′-bis(imidazol-1-ylmethyl)biphenyl","CrystEngComm","2008","10","9","1191","","10.1039/b803815e","","","0.71073","MoKα","","0.063","0.0431","","0.1044","0.0961","","","","1.029","","","","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202092","34.742","0.011","9.127","0.003","12.18","0.004","90","","106.64","0.005","90","","3700","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Co N8 O4 S -","- C40 H36 Co N8 O4 S -","- C160 H144 Co4 N32 O16 S4 -","4","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Maggini, Simona; Proserpio, Davide M.","Metal‒organic coordination frameworks assembled with the long flexible ligand 4,4′-bis(imidazol-1-ylmethyl)biphenyl","CrystEngComm","2008","10","9","1191","","10.1039/b803815e","","","0.71073","MoKα","","0.2461","0.0786","","0.1589","0.1115","","","","0.946","","","","","","","has coordinates,has disorder","180351","2020-10-21","18:00:00",""
"7202093","8.7796","0.0019","14.857","0.003","21.621","0.005","72.212","0.004","81.686","0.004","83.572","0.004","2650.3","1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H122 Co2 N24 O20 -","- C108 H118 Co2 N24 O20 -","- C108 H118 Co2 N24 O20 -","1","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Maggini, Simona; Proserpio, Davide M.","Metal‒organic coordination frameworks assembled with the long flexible ligand 4,4′-bis(imidazol-1-ylmethyl)biphenyl","CrystEngComm","2008","10","9","1191","","10.1039/b803815e","","","0.71073","MoKα","","0.1551","0.108","","0.3327","0.2928","","","","1.042","","","","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202094","14.1572","0.0017","9.6534","0.0012","17.317","0.002","90","","91.729","0.002","90","","2365.6","0.5","150","2","150","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C46 H56 Cu N8 O10 S -","- C46 H48 Cu N8 O10 S -","- C92 H96 Cu2 N16 O20 S2 -","2","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Maggini, Simona; Proserpio, Davide M.","Metal‒organic coordination frameworks assembled with the long flexible ligand 4,4′-bis(imidazol-1-ylmethyl)biphenyl","CrystEngComm","2008","10","9","1191","","10.1039/b803815e","","","0.71073","MoKα","","0.0822","0.0654","","0.1929","0.1777","","","","1.041","","","","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202095","8.85","0.0006","9.091","0.0007","13.24","0.001","71.503","0.003","83.998","0.003","67.939","0.003","936.11","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H36 Cu N10 O6 -","- C40 H36 Cu N10 O6 -","- C40 H36 Cu N10 O6 -","1","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Maggini, Simona; Proserpio, Davide M.","Metal‒organic coordination frameworks assembled with the long flexible ligand 4,4′-bis(imidazol-1-ylmethyl)biphenyl","CrystEngComm","2008","10","9","1191","","10.1039/b803815e","","","0.71073","MoKα","","0.1243","0.0737","","0.185","0.1587","","","","1.005","","","","","","","has coordinates,has disorder","180351","2020-10-21","18:00:00",""
"7202096","14.862","0.005","16.693","0.006","34.116","0.012","90","","96.453","0.005","90","","8410","5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H72 N16 O8 S2 Zn2 -","- C80 H72 N16 O8 S2 Zn2 -","- C320 H288 N64 O32 S8 Zn8 -","4","1","","Carlucci, Lucia; Ciani, Gianfranco; Maggini, Simona; Proserpio, Davide M.","Metal‒organic coordination frameworks assembled with the long flexible ligand 4,4′-bis(imidazol-1-ylmethyl)biphenyl","CrystEngComm","2008","10","9","1191","","10.1039/b803815e","","","0.71073","MoKα","","0.3186","0.0993","","0.3126","0.2438","","","","0.719","","","","","","","has coordinates,has disorder","180351","2020-10-21","18:00:00",""
"7202098","10.0688","0.0005","14.867","0.0007","21.1059","0.001","69.382","0.001","82.833","0.001","88.859","0.001","2933","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H60 N26 Ni3 O12 P4 -","- C40 H60 N26 Ni3 O12 P4 -","- C80 H120 N52 Ni6 O24 P8 -","2","1","","Chen, Shuo-ping; Li, Ming; Xiao, Yong; Yuan, Yi-xuan; Pan, Ling-ling; Yuan, Liang-jie","Hydrogen-bonded assembly of [Ni(Im)6]2+ ion and phosphorus anions: Different sandwiched-type/tessellate-type supramolecular architectures and 1D water chains","CrystEngComm","2008","10","9","1227","","10.1039/b804001j","","","0.71073","MoKα","","0.0354","0.0287","","","0.0744","0.0772","","","","","","1.063","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202099","9.008","0.0004","16.1663","0.0008","22.6665","0.0011","90","","90.039","0.001","90","","3300.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H37 N14 Ni O8 P -","- C21 H37 N14 Ni O8 P -","- C84 H148 N56 Ni4 O32 P4 -","4","1","","Chen, Shuo-ping; Li, Ming; Xiao, Yong; Yuan, Yi-xuan; Pan, Ling-ling; Yuan, Liang-jie","Hydrogen-bonded assembly of [Ni(Im)6]2+ ion and phosphorus anions: Different sandwiched-type/tessellate-type supramolecular architectures and 1D water chains","CrystEngComm","2008","10","9","1227","","10.1039/b804001j","","","0.71073","MoKα","","0.0398","0.0293","","","0.0832","0.0873","","","","","","1.066","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202100","9.9153","0.001","12.8275","0.0013","20.407","0.002","76.501","0.002","88.539","0.001","68.8","0.002","2348.1","0.4","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H50 N21 Ni2 O9 P2 -","- C32 H51 N21 Ni2 O9 P2 -","- C64 H102 N42 Ni4 O18 P4 -","2","1","","Chen, Shuo-ping; Li, Ming; Xiao, Yong; Yuan, Yi-xuan; Pan, Ling-ling; Yuan, Liang-jie","Hydrogen-bonded assembly of [Ni(Im)6]2+ ion and phosphorus anions: Different sandwiched-type/tessellate-type supramolecular architectures and 1D water chains","CrystEngComm","2008","10","9","1227","","10.1039/b804001j","","","0.71073","MoKα","","0.0505","0.0376","","","0.1166","0.1234","","","","","","1.093","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202101","9.333","0.0006","23.5953","0.0014","26.7989","0.0016","90","","97.765","0.001","90","","5847.4","0.6","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H68 N23 Ni2 O17 P3 -","- C36 H68 N23 Ni2 O17 P3 -","- C144 H272 N92 Ni8 O68 P12 -","4","1","","Chen, Shuo-ping; Li, Ming; Xiao, Yong; Yuan, Yi-xuan; Pan, Ling-ling; Yuan, Liang-jie","Hydrogen-bonded assembly of [Ni(Im)6]2+ ion and phosphorus anions: Different sandwiched-type/tessellate-type supramolecular architectures and 1D water chains","CrystEngComm","2008","10","9","1227","","10.1039/b804001j","","","0.71073","MoKα","","0.0933","0.0774","","","0.2225","0.2339","","","","","","1.143","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202103","8.552","0.003","4.9588","0.0017","24.778","0.01","90","","95.154","0.006","90","","1046.5","0.7","133","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 O8 Zn2 -","- C10 H6 O8 Zn2 -","- C40 H24 O32 Zn8 -","4","1","","Cao, Xin-Yi; Li, Zhao-Ji; Zhang, Jian; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen","Single- or double-stranded helices-sustained molecular bilayer architecture","CrystEngComm","2008","10","10","1345","","10.1039/b804371j","","","0.71073","MoKα","","0.0305","0.0284","","","0.08","0.081","","","","","","1.068","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202104","17.45","0.002","9.41","0.0006","28.87","0.003","90","","105.81","0.006","90","","4561.2","0.8","133.15","","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H42 Cd3 N4 O16 -","- C46 H42 Cd3 N4 O16 -","- C184 H168 Cd12 N16 O64 -","4","0.5","","Cao, Xin-Yi; Li, Zhao-Ji; Zhang, Jian; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen","Single- or double-stranded helices-sustained molecular bilayer architecture","CrystEngComm","2008","10","10","1345","","10.1039/b804371j","","","0.71073","MoKα","","0.0577","0.053","","","0.1382","0.1413","","","","","","1.08","","","","has coordinates,has disorder","180352","2020-10-21","18:00:00",""
"7202105","27.42","0.005","27.42","0.005","7.0011","0.0018","90","","90","","120","","4558.6","1.7","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C10 H10.67 Cu Dy2 N4 O12.83 -","- C10 H10.6667 Cu Dy2 N4 O12.8333 -","- C90 H96 Cu9 Dy18 N36 O115.5 -","9","0.5","","Chen, Lan-Fen; Zhang, Jian; Ren, Guo-Qiang; Zhao-Ji Li,; Qin, Ye-Yan; Yin, Pei-Xiu; Cheng, Jian-Kai; Yao, Yuan-Gen","Nanosized lanthanide oxide rods in I1O3 hybrid organic‒inorganic frameworks involving in situ ligand synthesis","CrystEngComm","2008","10","8","1088","","10.1039/b804490b","","","0.71073","MoKα","","0.0316","0.0262","","","0.0671","0.0749","","","","","","1.002","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202106","27.3601","0.0008","27.3601","0.0008","6.9815","0.0004","90","","90","","120","","4526","0.3","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C10 H10.67 Cu Ho2 N4 O12.83 -","- C10 H10.6667 Cu Ho2 N4 O12.8333 -","- C90 H96 Cu9 Ho18 N36 O115.5 -","9","0.5","","Chen, Lan-Fen; Zhang, Jian; Ren, Guo-Qiang; Zhao-Ji Li,; Qin, Ye-Yan; Yin, Pei-Xiu; Cheng, Jian-Kai; Yao, Yuan-Gen","Nanosized lanthanide oxide rods in I1O3 hybrid organic‒inorganic frameworks involving in situ ligand synthesis","CrystEngComm","2008","10","8","1088","","10.1039/b804490b","","","0.71073","MoKα","","0.0278","0.026","","","0.067","0.068","","","","","","1.003","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202107","27.294","0.004","27.294","0.004","6.9565","0.0013","90","","90","","120","","4488","1.3","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C10 H10.67 Cu Er2 N4 O12.83 -","- C10 H10.6667 Cu Er2 N4 O12.8333 -","- C90 H96 Cu9 Er18 N36 O115.5 -","9","0.5","","Chen, Lan-Fen; Zhang, Jian; Ren, Guo-Qiang; Zhao-Ji Li,; Qin, Ye-Yan; Yin, Pei-Xiu; Cheng, Jian-Kai; Yao, Yuan-Gen","Nanosized lanthanide oxide rods in I1O3 hybrid organic‒inorganic frameworks involving in situ ligand synthesis","CrystEngComm","2008","10","8","1088","","10.1039/b804490b","","","0.71073","MoKα","","0.0255","0.0223","","","0.0741","0.0819","","","","","","1.001","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202108","12.5217","0.0003","8.1036","0.0002","16.9859","0.0004","90","","90","","90","","1723.57","0.07","100","2","200","","","","","","","","","4","P b c a","-P 2ac 2ab","61","triaminoguanidinium dinitramide","triaminoguanidinium dinitramide","","- C H9 N9 O4 -","- C H9 N9 O4 -","- C8 H72 N72 O32 -","8","1","","Klapötke, Thomas M.; Stierstorfer, Jörg","Triaminoguanidinium dinitramide—calculations, synthesis and characterization of a promising energetic compound","Physical Chemistry Chemical Physics","2008","10","29","4340","4346","10.1039/b804504f","","","0.71073","MoKα","","0.0455","0.0306","","","0.0775","0.0891","","","","","","1.017","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202109","6.961","0.004","19.331","0.008","13.812","0.007","90","","95.43","0.02","90","","1850.2","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 N4 Ni O5 -","- C18 H18 N4 Ni O5 -","- C72 H72 N16 Ni4 O20 -","4","0.5","","Zhang, Lai-Ping; Yang, Jin; Ma, Jian-Fang; Jia, Zhi-Fang; Xie, Yun-Peng; Wei, Guo-Hua","A series of 2D and 3D metal‒organic frameworks based on different polycarboxylate anions and a flexible 2,2′-bis(1H-imidazolyl)ether ligand","CrystEngComm","2008","10","10","1410","","10.1039/b804578j","","","0.71069","MoKα","","0.0393","0.031","","","0.0665","0.0695","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202110","8.244","0.005","9.858","0.006","12.13","0.006","103.88","0.02","96.27","0.02","105.88","0.02","904.2","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 Cu N4 O5 -","- C18 H18 Cu N4 O5 -","- C36 H36 Cu2 N8 O10 -","2","1","","Zhang, Lai-Ping; Yang, Jin; Ma, Jian-Fang; Jia, Zhi-Fang; Xie, Yun-Peng; Wei, Guo-Hua","A series of 2D and 3D metal‒organic frameworks based on different polycarboxylate anions and a flexible 2,2′-bis(1H-imidazolyl)ether ligand","CrystEngComm","2008","10","10","1410","","10.1039/b804578j","","","0.71073","MoKα","","0.0676","0.0528","","","0.1581","0.1684","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202111","10.352","0.005","12.761","0.005","14.229","0.006","90","","97.241","0.018","90","","1864.7","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Cu N4 O5 -","- C18 H18 Cu N4 O5 -","- C72 H72 Cu4 N16 O20 -","4","1","","Zhang, Lai-Ping; Yang, Jin; Ma, Jian-Fang; Jia, Zhi-Fang; Xie, Yun-Peng; Wei, Guo-Hua","A series of 2D and 3D metal‒organic frameworks based on different polycarboxylate anions and a flexible 2,2′-bis(1H-imidazolyl)ether ligand","CrystEngComm","2008","10","10","1410","","10.1039/b804578j","","","0.71069","MoKα","","0.0692","0.0476","","","0.1215","0.1332","","","","","","1.078","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202112","9.472","0.004","17.653","0.005","8.516","0.003","90","","97.072","0.015","90","","1413.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Co N4 O5 -","- C12 H14 Co N4 O5 -","- C48 H56 Co4 N16 O20 -","4","1","","Zhang, Lai-Ping; Yang, Jin; Ma, Jian-Fang; Jia, Zhi-Fang; Xie, Yun-Peng; Wei, Guo-Hua","A series of 2D and 3D metal‒organic frameworks based on different polycarboxylate anions and a flexible 2,2′-bis(1H-imidazolyl)ether ligand","CrystEngComm","2008","10","10","1410","","10.1039/b804578j","","","0.71069","MoKα","","0.0395","0.0293","","","0.0579","0.0617","","","","","","0.914","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202113","17.302","0.008","13.499","0.007","13.768","0.006","90","","102.085","0.016","90","","3144","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H15 Cu N4 O5 -","- C15 H15 Cu N4 O5 -","- C120 H120 Cu8 N32 O40 -","8","1","","Zhang, Lai-Ping; Yang, Jin; Ma, Jian-Fang; Jia, Zhi-Fang; Xie, Yun-Peng; Wei, Guo-Hua","A series of 2D and 3D metal‒organic frameworks based on different polycarboxylate anions and a flexible 2,2′-bis(1H-imidazolyl)ether ligand","CrystEngComm","2008","10","10","1410","","10.1039/b804578j","","","0.71073","MoKα","","0.1571","0.0736","","","0.1695","0.2152","","","","","","0.936","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202114","18.39","0.003","14.018","0.003","13.338","0.006","90","","101.919","0.012","90","","3364.3","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Co2 N8 O11 -","- C30 H30 Co2 N8 O11 -","- C120 H120 Co8 N32 O44 -","4","1","","Zhang, Lai-Ping; Yang, Jin; Ma, Jian-Fang; Jia, Zhi-Fang; Xie, Yun-Peng; Wei, Guo-Hua","A series of 2D and 3D metal‒organic frameworks based on different polycarboxylate anions and a flexible 2,2′-bis(1H-imidazolyl)ether ligand","CrystEngComm","2008","10","10","1410","","10.1039/b804578j","","","0.71069","MoKα","","0.0671","0.0438","","","0.1031","0.1146","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202115","13.542","0.005","16.939","0.005","13.351","0.003","90","","112.484","0.013","90","","2829.8","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H48 Cu5 N8 O22 -","- C52 H47.112 Cu5 N8 O22 -","- C104 H94.224 Cu10 N16 O44 -","2","0.5","","Zhang, Lai-Ping; Yang, Jin; Ma, Jian-Fang; Jia, Zhi-Fang; Xie, Yun-Peng; Wei, Guo-Hua","A series of 2D and 3D metal‒organic frameworks based on different polycarboxylate anions and a flexible 2,2′-bis(1H-imidazolyl)ether ligand","CrystEngComm","2008","10","10","1410","","10.1039/b804578j","","","0.71073","MoKα","","0.0506","0.0404","","","0.0983","0.1035","","","","","","1.066","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7202116","11.7668","0.0016","16.821","0.003","20.579","0.003","90","","90","","90","","4073.2","1.1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H40 Cu3 N8 O17 -","- C38 H40 Cu3 N8 O17 -","- C152 H160 Cu12 N32 O68 -","4","0.5","","Zhang, Lai-Ping; Yang, Jin; Ma, Jian-Fang; Jia, Zhi-Fang; Xie, Yun-Peng; Wei, Guo-Hua","A series of 2D and 3D metal‒organic frameworks based on different polycarboxylate anions and a flexible 2,2′-bis(1H-imidazolyl)ether ligand","CrystEngComm","2008","10","10","1410","","10.1039/b804578j","","","0.71073","MoKα","","0.1394","0.0603","","","0.1188","0.1442","","","","","","0.955","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202117","8.6815","0.0007","13.0155","0.0011","19.137","0.0016","90","","93.964","0.001","90","","2157.2","0.3","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N3 O14 Zn2.5 -","- C20 H14 N3 O14 Zn2.5 -","- C80 H56 N12 O56 Zn10 -","4","1","","Yang, En-Cui; Liu, Zhong-Yi; Wang, Xiu-Guang; Batten, Stuart R.; Zhao, Xiao-Jun","Three Zn(II)-triazole-H3btc complexes regulated by mixed ligands protonation upon stepwise crystallization","CrystEngComm","2008","10","9","1140","","10.1039/b804944k","","","0.71073","MoKα","","0.0241","0.0209","","","0.0553","0.0564","","","","","","1.039","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202118","24.4776","0.0017","34.405","0.002","9.8623","0.0006","90","","90","","90","","8305.6","0.9","294","2","294","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C13 H13 N6 O9 Zn2.5 -","- C13 H9 N6 O9 Zn2.5 -","- C208 H144 N96 O144 Zn40 -","16","1","","Yang, En-Cui; Liu, Zhong-Yi; Wang, Xiu-Guang; Batten, Stuart R.; Zhao, Xiao-Jun","Three Zn(II)-triazole-H3btc complexes regulated by mixed ligands protonation upon stepwise crystallization","CrystEngComm","2008","10","9","1140","","10.1039/b804944k","","","0.71073","MoKα","","0.0227","0.0218","","","0.0731","0.0735","","","","","","1.003","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202119","7.6066","0.0011","9.968","0.0013","11.0456","0.0015","80.207","0.002","72.592","0.002","69.377","0.002","745.97","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 N6 O18 Zn2 -","- C22 H26 N6 O18 Zn2 -","- C22 H26 N6 O18 Zn2 -","1","0.5","","Yang, En-Cui; Liu, Zhong-Yi; Wang, Xiu-Guang; Batten, Stuart R.; Zhao, Xiao-Jun","Three Zn(II)-triazole-H3btc complexes regulated by mixed ligands protonation upon stepwise crystallization","CrystEngComm","2008","10","9","1140","","10.1039/b804944k","","","0.71073","MoKα","","0.0316","0.03","","","0.0835","0.0845","","","","","","1.037","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202120","7.2005","0.0015","12.813","0.003","14.723","0.003","74.624","0.004","89.392","0.004","87.687","0.003","1308.7","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H24 La2 N3 Ni1.5 O22.5 -","- C15 H15 La2 N3 Ni1.5 O22.5 -","- C30 H30 La4 N6 Ni3 O45 -","2","1","","Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Kurmoo, Mohamedally","Influence of reaction conditions on the channel shape of 3d-4f heterometallic metal‒organic framework","CrystEngComm","2008","10","10","1309","","10.1039/b804966a","","","0.71073","MoKα","","0.0438","0.0397","","","0.1018","0.1046","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202121","7.2229","0.0011","12.7689","0.0019","14.766","0.002","74.862","0.002","89.617","0.002","87.493","0.002","1313.3","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H21 La2 N3 Ni1.5 O21 -","- C15 H21 La2 N3 Ni1.5 O21 -","- C30 H42 La4 N6 Ni3 O42 -","2","1","","Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Kurmoo, Mohamedally","Influence of reaction conditions on the channel shape of 3d-4f heterometallic metal‒organic framework","CrystEngComm","2008","10","10","1309","","10.1039/b804966a","","","0.71073","MoKα","","0.0287","0.027","","","0.0806","0.082","","","","","","1.135","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202122","7.1179","0.0016","12.65","0.003","14.633","0.003","74.922","0.004","89.513","0.004","87.403","0.004","1270.9","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H23 N3 Nd2 Ni1.5 O22 -","- C15 H21 N3 Nd2 Ni1.5 O22 -","- C30 H42 N6 Nd4 Ni3 O44 -","2","1","","Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Kurmoo, Mohamedally","Influence of reaction conditions on the channel shape of 3d-4f heterometallic metal‒organic framework","CrystEngComm","2008","10","10","1309","","10.1039/b804966a","","","0.71073","MoKα","","0.0502","0.0445","","","0.0946","0.098","","","","","","1.121","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202123","7.0976","0.0019","12.604","0.003","14.654","0.004","74.981","0.005","89.72","0.005","87.365","0.005","1264.8","0.6","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H23 Eu2 N3 Ni1.5 O22 -","- C15 H21 Eu2 N3 Ni1.5 O22 -","- C30 H42 Eu4 N6 Ni3 O44 -","2","1","","Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Kurmoo, Mohamedally","Influence of reaction conditions on the channel shape of 3d-4f heterometallic metal‒organic framework","CrystEngComm","2008","10","10","1309","","10.1039/b804966a","","","0.71073","MoKα","","0.0524","0.043","","","0.0977","0.102","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202124","7.0723","0.0014","12.517","0.003","14.536","0.003","74.901","0.004","89.669","0.004","87.133","0.004","1240.8","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H23 Gd2 N3 Ni1.5 O22 -","- C15 H21 Gd2 N3 Ni1.5 O22 -","- C30 H42 Gd4 N6 Ni3 O44 -","2","1","","Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Kurmoo, Mohamedally","Influence of reaction conditions on the channel shape of 3d-4f heterometallic metal‒organic framework","CrystEngComm","2008","10","10","1309","","10.1039/b804966a","","","0.71073","MoKα","","0.0439","0.0415","","","0.1067","0.1087","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202125","7.113","0.002","8.519","0.002","12.641","0.004","74.748","0.005","88.024","0.005","86.919","0.005","737.8","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H28 N4 Ni2 O24 Pr2 -","- C18 H24 N4 Ni2 O24 Pr2 -","- C18 H24 N4 Ni2 O24 Pr2 -","1","0.5","","Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Kurmoo, Mohamedally","Influence of reaction conditions on the channel shape of 3d-4f heterometallic metal‒organic framework","CrystEngComm","2008","10","10","1309","","10.1039/b804966a","","","0.71073","MoKα","","0.0378","0.0371","","","0.111","0.1121","","","","","","1.007","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202126","7.153","0.002","8.569","0.003","12.57","0.004","75.026","0.006","87.787","0.006","85.779","0.006","742.1","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 N4 Ni2 O22 Pr2 -","- C18 H24 N4 Ni2 O22 Pr2 -","- C18 H24 N4 Ni2 O22 Pr2 -","1","0.5","","Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Kurmoo, Mohamedally","Influence of reaction conditions on the channel shape of 3d-4f heterometallic metal‒organic framework","CrystEngComm","2008","10","10","1309","","10.1039/b804966a","","","0.71073","MoKα","","0.0576","0.0531","","","0.1329","0.136","","","","","","1.075","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202127","7.225","0.0013","8.6469","0.0016","12.836","0.002","74.971","0.003","87.847","0.003","86.518","0.003","772.9","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H14 La N2 Ni O12 -","- C9 H12 La N2 Ni O12 -","- C18 H24 La2 N4 Ni2 O24 -","2","1","","Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Kurmoo, Mohamedally","Influence of reaction conditions on the channel shape of 3d-4f heterometallic metal‒organic framework","CrystEngComm","2008","10","10","1309","","10.1039/b804966a","","","0.71073","MoKα","","0.0253","0.0248","","","0.0651","0.0654","","","","","","1.104","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202128","7.163","0.0016","8.5771","0.0019","12.728","0.003","74.789","0.004","87.82","0.004","86.685","0.004","753.1","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H28 N4 Nd2 Ni2 O24 -","- C18 H24 N4 Nd2 Ni2 O24 -","- C18 H24 N4 Nd2 Ni2 O24 -","1","0.5","","Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Kurmoo, Mohamedally","Influence of reaction conditions on the channel shape of 3d-4f heterometallic metal‒organic framework","CrystEngComm","2008","10","10","1309","","10.1039/b804966a","","","0.71073","MoKα","","0.0396","0.039","","","0.1003","0.1011","","","","","","1.017","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202129","7.1243","0.0019","8.578","0.002","12.695","0.003","74.769","0.004","87.335","0.005","86.314","0.005","746.7","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H28 Eu2 N4 Ni2 O24 -","- C18 H24 Eu2 N4 Ni2 O24 -","- C18 H24 Eu2 N4 Ni2 O24 -","1","0.5","","Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Kurmoo, Mohamedally","Influence of reaction conditions on the channel shape of 3d-4f heterometallic metal‒organic framework","CrystEngComm","2008","10","10","1309","","10.1039/b804966a","","","0.71073","MoKα","","0.0432","0.0422","","","0.1157","0.1169","","","","","","1.106","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202130","7.4026","0.0018","8.224","0.002","9.822","0.002","81.482","0.004","81.709","0.004","83.254","0.004","582.3","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H18 Dy2 N2 Ni O20 -","- C12 H18 Dy2 N2 Ni O20 -","- C12 H18 Dy2 N2 Ni O20 -","1","0.5","","Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Kurmoo, Mohamedally","Influence of reaction conditions on the channel shape of 3d-4f heterometallic metal‒organic framework","CrystEngComm","2008","10","10","1309","","10.1039/b804966a","","","0.71073","MoKα","","0.037","0.0358","","","0.0905","0.0915","","","","","","1.065","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202131","9.427","0.003","11.482","0.004","12.836","0.004","68.977","0.007","81.168","0.005","65.834","0.004","1183.2","0.7","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H42 Cd2 N4 O12 -","- C56 H42 Cd2 N4 O12 -","- C56 H42 Cd2 N4 O12 -","1","0.5","","Luo, Feng; Yang, Yu-Ting; Che, Yun-Xia; Zheng, Ji-Min","An unusual metal‒organic framework showing both rotaxane- and cantenane-like motifs","CrystEngComm","2008","10","8","981","","10.1039/b805025b","","","0.71073","MoKα","","0.0563","0.0405","","","0.0824","0.0878","","","","","","1.04","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202132","12.905","0.003","4.573","0.0009","16.072","0.003","90","","114.79","0.03","90","","861.1","0.4","220","0.1","295","2","","","100","","","","","4","C 1 2/c 1","-C 2yc","15","bromoiodomethane","bromoiodomethane","","- C H2 Br I -","- C H2 Br I -","- C8 H16 Br8 I8 -","8","1","","Podsiadło, Marcin; Katrusiak, Andrzej","Isostructural relations in dihalomethanes and disproportionation of bromoiodomethane","CrystEngComm","2008","10","10","1436","","10.1039/b805065a","","","0.71073","MoKα","","0.0892","0.0662","","","0.1507","0.166","","","","","","1.159","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202133","12.817","0.003","4.5223","0.0009","15.757","0.003","90","","114.45","0.03","90","","831.4","0.4","100","0.1","295","2","","","100","","","","","4","C 1 2/c 1","-C 2yc","15","bromoiodomethane","bromoiodomethane","","- C H2 Br I -","- C H2 Br I -","- C8 H16 Br8 I8 -","8","1","","Podsiadło, Marcin; Katrusiak, Andrzej","Isostructural relations in dihalomethanes and disproportionation of bromoiodomethane","CrystEngComm","2008","10","10","1436","","10.1039/b805065a","","","0.71073","MoKα","","0.0646","0.057","","","0.12","0.1255","","","","","","1.116","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202134","12.649","0.003","4.4767","0.0009","15.425","0.003","90","","112.98","0.03","90","","804.1","0.3","295","2","295","2","","","540000","","","","","4","C 1 2/c 1","-C 2yc","15","bromoiodomethane","bromoiodomethane","","- C H2 Br I -","- C H2 Br I -","- C8 H16 Br8 I8 -","8","1","","Podsiadło, Marcin; Katrusiak, Andrzej","Isostructural relations in dihalomethanes and disproportionation of bromoiodomethane","CrystEngComm","2008","10","10","1436","","10.1039/b805065a","","","0.71073","MoKα","","0.0325","0.0268","","","0.0662","0.0698","","","","","","1.172","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202135","7.0153","0.0014","12.599","0.003","4.5877","0.0009","90","","90","","90","","405.49","0.15","295","2","295","2","","","800000","","","","","3","F m m 2","F 2 -2","42","diiodomethane, polymorph II","diiodomethane, polymorph II","","- C H2 I2 -","- C H2 I2 -","- C4 H8 I8 -","4","0.25","","Podsiadło, Marcin; Katrusiak, Andrzej","Isostructural relations in dihalomethanes and disproportionation of bromoiodomethane","CrystEngComm","2008","10","10","1436","","10.1039/b805065a","","","0.71073","MoKα","","0.0461","0.0407","","","0.0506","0.0518","","","","","","1.23","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202136","12.118","0.003","23.052","0.007","14.59","0.004","90","","94.792","0.013","90","","4061.4","1.9","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H38 Cl6 N2 O4 Pd -","- C42 H38 Cl6 N2 O4 Pd -","- C168 H152 Cl24 N8 O16 Pd4 -","4","1","","Mastalerz, Michael; Rivera, Hebert Jesus Estevez; Hüggenberg, Wiebke; Merz, Klaus; Oppel, Iris M.; Dyker, Gerald","Pyridoxycalix[4]arene palladium(II) complexes as tectons for self-inclusion polymers","CrystEngComm","2008","10","9","1120","","10.1039/b805082a","","","0.71073","MoKα","","0.1401","0.0716","","","0.1371","0.1639","","","","","","1.029","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202137","19.4585","0.0018","20.414","0.002","17.2783","0.0015","90","","93.127","0.008","90","","6853.2","1.1","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H33.5 Cl2 N2 O4.75 Pd -","- C39 H32 Cl2 N2 O4.75 Pd -","- C312 H256 Cl16 N16 O38 Pd8 -","8","2","","Mastalerz, Michael; Rivera, Hebert Jesus Estevez; Hüggenberg, Wiebke; Merz, Klaus; Oppel, Iris M.; Dyker, Gerald","Pyridoxycalix[4]arene palladium(II) complexes as tectons for self-inclusion polymers","CrystEngComm","2008","10","9","1120","","10.1039/b805082a","","","0.71073","MoKα","","0.1116","0.0514","","","0.1053","0.121","","","","","","0.916","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202138","18.184","0.004","19.203","0.004","13.458","0.003","90","","112.49","0.03","90","","4342","1.9","213","2","213","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H31 Cl4 N2 O4 Pd2 -","- C39 H31 Cl4 N2 O4 Pd2 -","- C156 H124 Cl16 N8 O16 Pd8 -","4","0.5","","Mastalerz, Michael; Rivera, Hebert Jesus Estevez; Hüggenberg, Wiebke; Merz, Klaus; Oppel, Iris M.; Dyker, Gerald","Pyridoxycalix[4]arene palladium(II) complexes as tectons for self-inclusion polymers","CrystEngComm","2008","10","9","1120","","10.1039/b805082a","","","0.71073","MoKα","","0.1516","0.0684","","","0.1603","0.1875","","","","","","0.84","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202139","21.909","0.006","9.982","0.003","20.68","0.006","90","","110.377","0.005","90","","4240","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H34 Cd3 N8 O12 -","- C46 H34 Cd3 N8 O12 -","- C184 H136 Cd12 N32 O48 -","4","0.5","","Yao, Jing; Lu, Zhen-Da; Li, Yi-Zhi; Lin, Jian-Guo; Duan, Xian-Ying; Gao, Song; Meng, Qing-Jin; Lu, Chang-Sheng","Three-dimensional metal‒organic frameworks constructed from bix and 1,2,4-benzenetricarboxylate","CrystEngComm","2008","10","10","1379","","10.1039/b805263h","","","0.71073","MoKα","","0.0619","0.0453","","","0.09","0.0955","","","","","","1.037","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202140","10.142","0.002","14.93","0.004","15.4664","0.0016","114.061","0.002","106.591","0.001","94.815","0.003","1995","0.7","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C83 H65 N16 O18 Zn4 -","- C83 H65 N16 O18 Zn4 -","- C83 H65 N16 O18 Zn4 -","1","0.5","","Yao, Jing; Lu, Zhen-Da; Li, Yi-Zhi; Lin, Jian-Guo; Duan, Xian-Ying; Gao, Song; Meng, Qing-Jin; Lu, Chang-Sheng","Three-dimensional metal‒organic frameworks constructed from bix and 1,2,4-benzenetricarboxylate","CrystEngComm","2008","10","10","1379","","10.1039/b805263h","","","0.71073","MoKα","","0.0769","0.0581","","","0.1162","0.1211","","","","","","1.019","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202141","15.326","0.0005","15.982","0.0005","16.135","0.0004","65.687","0.002","77.18","0.002","64.427","0.001","3244.08","0.18","110","2","110","2","","","","","","","","6","P -1","-P 1","2","para-sulfonatocalix(4)arene Chlorhexidine","para-sulfonatocalix[4]arene Chlorhexidine","","- C53 H77 Cl2 N10 O25 S4 -","- C50 H65 Cl2 N10 O22 S4 -","- C100 H130 Cl4 N20 O44 S8 -","2","1","","Dupont, Nathalie; Lazar, Adina N.; Perret, Florent; Danylyuk, Oksana; Suwinska, Kinga; Navaza, Alda; Coleman, Anthony W.","Solid state structures of the complexes between the antiseptic chlorhexidine and three anionic derivatives of calix[4]arene","CrystEngComm","2008","10","8","975","","10.1039/b805317k","","","0.71073","MoKα","","0.0803","0.0544","","","0.1313","0.1433","","","","","","1.046","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202142","10.104","0.002","14.629","0.003","19.376","0.004","69.71","0.03","87.37","0.03","85.17","0.03","2676.3","1.1","110","2","110","2","","","","","","","","5","P -1","-P 1","2","calix(4)arene dimethoxycarboxylic acid Chlorhexidine","calix[4]arene dimethoxycarboxylic acid Chlorhexidine","","- C54 H60 Cl2 N10 O9 -","- C54 H60 Cl2 N10 O9 -","- C108 H120 Cl4 N20 O18 -","2","1","","Dupont, Nathalie; Lazar, Adina N.; Perret, Florent; Danylyuk, Oksana; Suwinska, Kinga; Navaza, Alda; Coleman, Anthony W.","Solid state structures of the complexes between the antiseptic chlorhexidine and three anionic derivatives of calix[4]arene","CrystEngComm","2008","10","8","975","","10.1039/b805317k","","","0.71073","MoKα","","0.2945","0.088","","","0.1712","0.2504","","","","","","0.896","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202143","26.444","0.0013","13.126","0.0016","31.572","0.003","90","0.005","109.506","0.006","90","0.006","10329.8","1.7","110","2","110","2","","","","","","","","7","C 1 c 1","C -2yc","9","calix(4)arene dihydroxyphosphonic acid Chlorhexidine","calix[4]arene dihydroxyphosphonic acid Chlorhexidine","","- C168 H230 Cl4 K4 N20 O69 P8 -","- C168 H190 Cl4 K4 N20 O69 P8 -","- C336 H380 Cl8 K8 N40 O138 P16 -","2","0.5","","Dupont, Nathalie; Lazar, Adina N.; Perret, Florent; Danylyuk, Oksana; Suwinska, Kinga; Navaza, Alda; Coleman, Anthony W.","Solid state structures of the complexes between the antiseptic chlorhexidine and three anionic derivatives of calix[4]arene","CrystEngComm","2008","10","8","975","","10.1039/b805317k","","","0.71073","MoKα","","0.1038","0.0714","","","0.1695","0.1879","","","","","","1.005","","","","has coordinates,has disorder","180352","2020-10-21","18:00:00",""
"7202146","5.1928","0.0005","12.78","0.0014","15.3165","0.0015","82.143","0.006","80.888","0.006","87.501","0.006","993.96","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 Co N2 O11.5 -","- C18 H17.962 Co N2 O11.481 -","- C36 H35.924 Co2 N4 O22.962 -","2","1","","Ai, Wentao; He, Haiyan; Liu, Longjie; Liu, Qianjin; Lv, Xiaoli; Li, Jing; Sun, Daofeng","Synthesis, crystal structures and properties of three metal‒organic supramolecular architectures based on mixed organic ligands","CrystEngComm","2008","10","10","1480","","10.1039/b805379k","","","0.71073","MoKα","","0.0523","0.0404","","","0.104","0.1121","","","","","","1.104","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202147","13.1282","0.0003","8.5385","0.0002","17.7763","0.0004","90","","91.939","0.001","90","","1991.5","0.08","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N2 O10 Zn -","- C20 H14 N2 O10 Zn -","- C80 H56 N8 O40 Zn4 -","4","1","","Ai, Wentao; He, Haiyan; Liu, Longjie; Liu, Qianjin; Lv, Xiaoli; Li, Jing; Sun, Daofeng","Synthesis, crystal structures and properties of three metal‒organic supramolecular architectures based on mixed organic ligands","CrystEngComm","2008","10","10","1480","","10.1039/b805379k","","","0.71073","MoKα","","0.0437","0.0382","","","0.1182","0.1236","","","","","","1.06","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202148","21.693","0.004","8.5861","0.0018","22.878","0.005","90","","100.686","0.012","90","","4187.3","1.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H38 Cd3 N4 O24 -","- C36 H32 Cd3 N4 O24 -","- C144 H128 Cd12 N16 O96 -","4","0.5","","Ai, Wentao; He, Haiyan; Liu, Longjie; Liu, Qianjin; Lv, Xiaoli; Li, Jing; Sun, Daofeng","Synthesis, crystal structures and properties of three metal‒organic supramolecular architectures based on mixed organic ligands","CrystEngComm","2008","10","10","1480","","10.1039/b805379k","","","0.71073","MoKα","","0.0398","0.0325","","","0.0871","0.0915","","","","","","1.073","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202149","6.6687","0.0013","8.0335","0.0016","11.706","0.002","80.009","0.004","83.271","0.006","83.926","0.006","611","0.2","293","2","293","2","","","","","","","","2","P -1","-P 1","2","Trans-DPDSB","Trans,trans-2,5-Diphenyl-1,4-distyrylbenzene","","- C34 H26 -","- C34 H26 -","- C34 H26 -","1","0.5","","Wang, H.; Xie, Z. Q.; Yang, B.; Shen, F. Z.; Li, Y. P.; Ma, Y. G.","Several slice-like organic crystals grown by the physical vapor transport method: combining atomic force microscopy and X-ray diffraction to explore the characteristics of crystal formation","CrystEngComm","2008","10","9","1252","","10.1039/b805512b","","","0.71073","MoKα","","0.0794","0.0463","","","0.124","0.1369","","","","","","1.048","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202150","7.544","0.005","8.604","0.007","10.394","0.003","93.18","0.05","97.73","0.04","114.7","0.05","602.7","0.7","293","","293","","","","570000","","","","","4","P -1","-P 1","2","","2:1:2 Paracetamol:piperazine:ethanol solvate","","- C12 H20 N2 O3 -","- C12 H20 N2 O3 -","- C24 H40 N4 O6 -","2","1","","Oswald, Iain D. H.; Pulham, Colin R.","Co-crystallisation at high pressure—an additional tool for the preparation and study of co-crystals","CrystEngComm","2008","10","9","1114","","10.1039/b805591b","","","0.71073","MoKα","","0.1123","0.0604","","0.2084","0.1659","0.2084","","","","","","0.9272","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202151","20.365","0.005","19.046","0.005","30.48","0.005","90","","107.768","0.005","90","","11258","4","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C32 H70 La1.5 N2 Na0.5 O39.5 S4 -","- C32 H20 La1.5 N2 Na0.5 O39.5 S4 -","- C256 H160 La12 N16 Na4 O316 S32 -","8","1","","Zheng, Guoli; Zhang, Feng; Li, Yinyan; Zhang, Hongjie","Guest inducing p-sulfonatocalix[4]arene into three-dimensional capsule architecture and a mixed A‒B double layer framework","CrystEngComm","2008","10","11","1560","","10.1039/b805628e","","","0.71069","MoKα","","0.1124","0.0786","","","0.1943","0.2224","","","","","","1.022","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202152","31.59","0.03","17.867","0.011","22.1","0.02","90","","134.057","0.017","90","","8964","13","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H44 N2 Na2 O28.5 S4 Tb -","- C32 H23 N2 Na2 O28.5 S4 Tb -","- C256 H184 N16 Na16 O228 S32 Tb8 -","8","1","","Zheng, Guoli; Zhang, Feng; Li, Yinyan; Zhang, Hongjie","Guest inducing p-sulfonatocalix[4]arene into three-dimensional capsule architecture and a mixed A‒B double layer framework","CrystEngComm","2008","10","11","1560","","10.1039/b805628e","","","0.71073","MoKα","","0.106","0.0634","","","0.1463","0.1672","","","","","","0.978","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202153","31.695","0.003","17.9061","0.0012","22.221","0.002","90","","133.979","0.002","90","","9074.9","1.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H44 Eu N2 Na2 O28.5 S4 -","- C32 H23 Eu N2 Na2 O28.5 S4 -","- C256 H184 Eu8 N16 Na16 O228 S32 -","8","1","","Zheng, Guoli; Zhang, Feng; Li, Yinyan; Zhang, Hongjie","Guest inducing p-sulfonatocalix[4]arene into three-dimensional capsule architecture and a mixed A‒B double layer framework","CrystEngComm","2008","10","11","1560","","10.1039/b805628e","","","0.71073","MoKα","","0.1084","0.0597","","","0.1377","0.1622","","","","","","1.01","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202154","10.2701","0.0013","13.3741","0.0017","14.9368","0.0019","89.016","0.002","86.975","0.002","67.753","0.002","1896.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H37 Cu1.5 N3 O15 -","- C35 H37 Cu1.5 N3 O15 -","- C70 H74 Cu3 N6 O30 -","2","1","","Wang, Hong; Wang, Yao-Yu; Yang, Guo-Ping; Wang, Cui-Juan; Wen, Gui-Lin; Shi, Qi-Zhen; Batten, Stuart R.","A series of intriguing metal‒organic frameworks with 3,3′,4,4′- benzophenonetetracarboxylic acid: structural adjustment and pH-dependence","CrystEngComm","2008","10","11","1583","","10.1039/b805727c","","","0.71073","MoKα","","0.1061","0.066","","","0.1916","0.2235","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202155","34.849","0.005","13.4109","0.0015","26.387","0.003","90","","131.039","0.004","90","","9302","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C82 H90 Cu4 N8 O33 -","- C82 H90 Cu4 N8 O33 -","- C328 H360 Cu16 N32 O132 -","4","0.5","","Wang, Hong; Wang, Yao-Yu; Yang, Guo-Ping; Wang, Cui-Juan; Wen, Gui-Lin; Shi, Qi-Zhen; Batten, Stuart R.","A series of intriguing metal‒organic frameworks with 3,3′,4,4′- benzophenonetetracarboxylic acid: structural adjustment and pH-dependence","CrystEngComm","2008","10","11","1583","","10.1039/b805727c","","","0.71073","MoKα","","0.2289","0.0827","","","0.2106","0.227","","","","","","0.869","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202156","15.9854","0.0015","6.1864","0.0006","16.4143","0.0016","90","","102.642","0.001","90","","1583.9","0.3","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C14.5 H16 Mn N O8 -","- C14.5 H16 Mn N O8 -","- C58 H64 Mn4 N4 O32 -","4","1","","Wang, Hong; Wang, Yao-Yu; Yang, Guo-Ping; Wang, Cui-Juan; Wen, Gui-Lin; Shi, Qi-Zhen; Batten, Stuart R.","A series of intriguing metal‒organic frameworks with 3,3′,4,4′- benzophenonetetracarboxylic acid: structural adjustment and pH-dependence","CrystEngComm","2008","10","11","1583","","10.1039/b805727c","","","0.71073","MoKα","","0.0562","0.0399","","","0.0936","0.1043","","","","","","1.118","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202157","15.9043","0.0013","6.1361","0.0005","16.1034","0.0014","90","","102.51","0.001","90","","1534.2","0.2","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C14.5 H15 Co N O8 -","- C14.5 H15 Co N O8 -","- C58 H60 Co4 N4 O32 -","4","1","","Wang, Hong; Wang, Yao-Yu; Yang, Guo-Ping; Wang, Cui-Juan; Wen, Gui-Lin; Shi, Qi-Zhen; Batten, Stuart R.","A series of intriguing metal‒organic frameworks with 3,3′,4,4′- benzophenonetetracarboxylic acid: structural adjustment and pH-dependence","CrystEngComm","2008","10","11","1583","","10.1039/b805727c","","","0.71073","MoKα","","0.0546","0.0377","","","0.0812","0.0898","","","","","","1.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202158","16.0396","0.0016","6.219","0.0006","16.2606","0.0017","90","","102.787","0.001","90","","1581.8","0.3","291","2","291","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C14.5 H15 Mn N O8 -","- C14.5 H15 Mn N O8 -","- C58 H60 Mn4 N4 O32 -","4","1","","Wang, Hong; Wang, Yao-Yu; Yang, Guo-Ping; Wang, Cui-Juan; Wen, Gui-Lin; Shi, Qi-Zhen; Batten, Stuart R.","A series of intriguing metal‒organic frameworks with 3,3′,4,4′- benzophenonetetracarboxylic acid: structural adjustment and pH-dependence","CrystEngComm","2008","10","11","1583","","10.1039/b805727c","","","0.71073","MoKα","","0.0435","0.0342","","","0.083","0.0889","","","","","","1.05","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202159","24.098","0.007","11.347","0.003","9.692","0.002","90","","99.173","0.007","90","","2616.3","1.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H22 Cu N2 O10 -","- C29 H22 Cu N2 O10 -","- C116 H88 Cu4 N8 O40 -","4","0.5","","Wang, Hong; Wang, Yao-Yu; Yang, Guo-Ping; Wang, Cui-Juan; Wen, Gui-Lin; Shi, Qi-Zhen; Batten, Stuart R.","A series of intriguing metal‒organic frameworks with 3,3′,4,4′- benzophenonetetracarboxylic acid: structural adjustment and pH-dependence","CrystEngComm","2008","10","11","1583","","10.1039/b805727c","","","0.71073","MoKα","","0.0683","0.0418","","","0.0846","0.0884","","","","","","0.992","","","","has coordinates,has disorder","180352","2020-10-21","18:00:00",""
"7202160","11.2436","0.0012","15.2627","0.0016","13.0841","0.0014","90","","90","","90","","2245.3","0.4","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C18 H10 N6 Na2 O14 Zn2 -","- C18 H10 N6 Na2 O14 Zn2 -","- C72 H40 N24 Na8 O56 Zn8 -","4","0.25","","Sun, Wei-Wei; Yue, Qi; Cheng, Ai-Ling; Gao, En-Qing","Supramolecular networks assembled from binuclear complexes with pyridazine-3,6-dicarboxylate","CrystEngComm","2008","10","10","1384","","10.1039/b805832f","","","0.71073","MoKα","","0.0619","0.0565","","","0.1262","0.1302","","","","","","1.11","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202161","10.72","0.003","15.228","0.005","13.331","0.004","90","","90","","90","","2176.2","1.1","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C18 H6 K2 Mn2 N6 O12 -","- C18 H6 K2 Mn2 N6 O12 -","- C72 H24 K8 Mn8 N24 O48 -","4","0.25","","Sun, Wei-Wei; Yue, Qi; Cheng, Ai-Ling; Gao, En-Qing","Supramolecular networks assembled from binuclear complexes with pyridazine-3,6-dicarboxylate","CrystEngComm","2008","10","10","1384","","10.1039/b805832f","","","0.71073","MoKα","","0.0405","0.0337","","","0.0853","0.0874","","","","","","0.982","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202162","10.7037","0.001","15.064","0.0014","13.2866","0.0016","90","","90","","90","","2142.3","0.4","273","2","273","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C18 H6 K2 N6 O12 Zn2 -","- C18 H6 K2 N6 O12 Zn2 -","- C72 H24 K8 N24 O48 Zn8 -","4","0.25","","Sun, Wei-Wei; Yue, Qi; Cheng, Ai-Ling; Gao, En-Qing","Supramolecular networks assembled from binuclear complexes with pyridazine-3,6-dicarboxylate","CrystEngComm","2008","10","10","1384","","10.1039/b805832f","","","0.71073","MoKα","","0.0285","0.0245","","","0.0648","0.068","","","","","","1.058","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202163","9.3716","0.0017","13.332","0.003","18.101","0.003","90","","101.15","0.003","90","","2218.9","0.7","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Mn2 N8 O12 -","- C18 H14 Mn2 N8 O12 -","- C72 H56 Mn8 N32 O48 -","4","1","","Sun, Wei-Wei; Yue, Qi; Cheng, Ai-Ling; Gao, En-Qing","Supramolecular networks assembled from binuclear complexes with pyridazine-3,6-dicarboxylate","CrystEngComm","2008","10","10","1384","","10.1039/b805832f","","","0.71073","MoKα","","0.136","0.0674","","","0.1638","0.2008","","","","","","0.988","","","","has coordinates","189056","2020-10-21","18:00:00",""
"7202164","10.9117","0.0012","14.9509","0.0015","13.3255","0.0013","90","","90","","90","","2173.9","0.4","273","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C18 H14 N8 O12 Zn2 -","- C18 H14 N8 O12 Zn2 -","- C72 H56 N32 O48 Zn8 -","4","0.25","","Sun, Wei-Wei; Yue, Qi; Cheng, Ai-Ling; Gao, En-Qing","Supramolecular networks assembled from binuclear complexes with pyridazine-3,6-dicarboxylate","CrystEngComm","2008","10","10","1384","","10.1039/b805832f","","","0.71073","MoKα","","0.0859","0.0653","","","0.1506","0.1646","","","","","","1.075","","","","has coordinates","189056","2020-10-21","18:00:00",""
"7202165","9.5936","0.0017","13.01","0.002","18.569","0.003","90","","101.359","0.002","90","","2272.3","0.6","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 Mn2 N6 Na2 O14 -","- C18 H10 Mn2 N6 Na2 O14 -","- C72 H40 Mn8 N24 Na8 O56 -","4","1","","Sun, Wei-Wei; Yue, Qi; Cheng, Ai-Ling; Gao, En-Qing","Supramolecular networks assembled from binuclear complexes with pyridazine-3,6-dicarboxylate","CrystEngComm","2008","10","10","1384","","10.1039/b805832f","","","0.71073","MoKα","","0.0941","0.061","","","0.1517","0.1746","","","","","","1.045","","","","has coordinates","189056","2020-10-21","18:00:00",""
"7202166","7.511","0.0005","8.0199","0.0007","11.8111","0.0011","109.71","0.008","93.471","0.007","99.1","0.006","656.37","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","dithioxamide-4,4'-bipyridyl (1/1)","dithioxamide-4,4'-bipyridyl (1/1)","","- C12 H12 N4 S2 -","- C12 H12 N4 S2 -","- C24 H24 N8 S4 -","2","1","","Piotrkowska, Barbara; Wasilewska, Aleksandra; Gdaniec, Maria; Połoński, Tadeusz","Strong N‒H⋯N hydrogen bonds and weak N‒H⋯S  C interactions in controlling the structure of the co-crystals of dithiooxamide with nitrogen heterocycles","CrystEngComm","2008","10","10","1421","","10.1039/b806061d","","","0.71073","MoKα","","0.0443","0.0379","","","0.1065","0.1117","","","","","","1.092","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202167","7.3183","0.0007","9.4645","0.0012","11.4992","0.0011","66.91","0.011","89.531","0.008","84.021","0.009","728.22","0.15","130","2","130","2","","","","","","","","4","P -1","-P 1","2","4,4'-ethane-1,2-diyldipyridine - dithiooxamide (1/1)","4,4'-ethane-1,2-diyldipyridine - dithiooxamide (1/1)","","- C14 H16 N4 S2 -","- C14 H16 N4 S2 -","- C28 H32 N8 S4 -","2","1","","Piotrkowska, Barbara; Wasilewska, Aleksandra; Gdaniec, Maria; Połoński, Tadeusz","Strong N‒H⋯N hydrogen bonds and weak N‒H⋯S  C interactions in controlling the structure of the co-crystals of dithiooxamide with nitrogen heterocycles","CrystEngComm","2008","10","10","1421","","10.1039/b806061d","","","0.71073","MoKα","","0.0558","0.0418","","","0.1079","0.1165","","","","","","1.052","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202168","7.255","0.0008","8.7786","0.0012","11.8824","0.0011","85.341","0.009","79.117","0.008","83.618","0.01","737.15","0.15","130","2","130","2","","","","","","","","4","P -1","-P 1","2","dithiooxamide - 2,7-diazapyrene (1/1)","dithiooxamide - 2,7-diazapyrene (1/1)","","- C16 H12 N4 S2 -","- C16 H12 N4 S2 -","- C32 H24 N8 S4 -","2","1","","Piotrkowska, Barbara; Wasilewska, Aleksandra; Gdaniec, Maria; Połoński, Tadeusz","Strong N‒H⋯N hydrogen bonds and weak N‒H⋯S  C interactions in controlling the structure of the co-crystals of dithiooxamide with nitrogen heterocycles","CrystEngComm","2008","10","10","1421","","10.1039/b806061d","","","0.71073","MoKα","","0.0547","0.037","","","0.0964","0.1045","","","","","","1.075","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202169","15.7292","0.0007","6.0827","0.0003","12.5292","0.0007","90","","101.511","0.006","90","","1174.63","0.1","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,4-diazabicyclo(2.2.2)octane - dithiooxamide (1/1)","1,4-diazabicyclo[2.2.2]octane - dithiooxamide (1/1)","","- C8 H16 N4 S2 -","- C8 H16 N4 S2 -","- C32 H64 N16 S8 -","4","0.5","","Piotrkowska, Barbara; Wasilewska, Aleksandra; Gdaniec, Maria; Połoński, Tadeusz","Strong N‒H⋯N hydrogen bonds and weak N‒H⋯S  C interactions in controlling the structure of the co-crystals of dithiooxamide with nitrogen heterocycles","CrystEngComm","2008","10","10","1421","","10.1039/b806061d","","","0.71073","MoKα","","0.0577","0.0442","","","0.1139","0.1256","","","","","","1.077","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202170","6.0414","0.0008","8.3514","0.0004","12.3639","0.0006","77.833","0.004","88.565","0.008","69.78","0.008","571.44","0.09","140","2","140","2","","","","","","","","4","P -1","-P 1","2","1,4-diazabicyclo(2.2.2)octane - dithiooxamide (1/1)","1,4-diazabicyclo[2.2.2]octane - dithiooxamide (1/1)","","- C8 H16 N4 S2 -","- C8 H16 N4 S2 -","- C16 H32 N8 S4 -","2","1","","Piotrkowska, Barbara; Wasilewska, Aleksandra; Gdaniec, Maria; Połoński, Tadeusz","Strong N‒H⋯N hydrogen bonds and weak N‒H⋯S  C interactions in controlling the structure of the co-crystals of dithiooxamide with nitrogen heterocycles","CrystEngComm","2008","10","10","1421","","10.1039/b806061d","","","0.71073","MoKα","","0.0506","0.0439","","","0.1307","0.1443","","","","","","1.152","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202171","9.7776","0.001","7.325","0.0007","17.6664","0.0013","90","","104.485","0.008","90","","1225.1","0.2","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,3,5,7-tetraazatricyclo(3.3.1.13,7)decane - dithiooxamide (1/1)","1,3,5,7-tetraazatricyclo[3.3.1.13,7]decane - dithiooxamide (1/1)","","- C8 H16 N6 S2 -","- C8 H16 N6 S2 -","- C32 H64 N24 S8 -","4","0.5","","Piotrkowska, Barbara; Wasilewska, Aleksandra; Gdaniec, Maria; Połoński, Tadeusz","Strong N‒H⋯N hydrogen bonds and weak N‒H⋯S  C interactions in controlling the structure of the co-crystals of dithiooxamide with nitrogen heterocycles","CrystEngComm","2008","10","10","1421","","10.1039/b806061d","","","0.71073","MoKα","","0.0309","0.0263","","","0.0733","0.0756","","","","","","1.105","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202172","10.7438","0.0009","10.022","0.0009","10.9457","0.001","90","","96.11","0.007","90","","1171.88","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","dithiooxamide-1,10-phenanthroline (1/1)","dithiooxamide-1,10-phenanthroline (1/1)","","- C26 H20 N6 S2 -","- C26 H20 N6 S2 -","- C52 H40 N12 S4 -","2","0.5","","Piotrkowska, Barbara; Wasilewska, Aleksandra; Gdaniec, Maria; Połoński, Tadeusz","Strong N‒H⋯N hydrogen bonds and weak N‒H⋯S  C interactions in controlling the structure of the co-crystals of dithiooxamide with nitrogen heterocycles","CrystEngComm","2008","10","10","1421","","10.1039/b806061d","","","0.71073","MoKα","","0.0575","0.0487","","","0.1359","0.1467","","","","","","1.122","","","","has coordinates,has disorder","180352","2020-10-21","18:00:00",""
"7202173","21.8959","0.0006","13.8979","0.0003","13.7164","0.0003","90","","90","","90","","4174","0.17","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","phosphatocobalt(iii) Bipyridine-glycoluril complex","","","- C28 H24 Co N12 O10 P -","- C28 H24 Co N12 O10 P -","- C112 H96 Co4 N48 O40 P4 -","4","1","","Kumbhar, Avinash S.; Deshpande, Megha S.; Butcher, Raymond J.","Hydrogen bond directed open-framework of bis(bipyridine-glycoluril) phosphatocobalt(III) with solvent accessible void space","CrystEngComm","2008","10","11","1520","","10.1039/b806123h","","","0.71073","MoKα","","0.1042","0.0558","","","0.139","0.158","","","","","","0.926","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202175","28.581","0.002","6.16","0.0005","14.2146","0.0011","90","","97.441","0.001","90","","2481.5","0.3","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H31 N O4 -","- C30 H31 N O4 -","- C120 H124 N4 O16 -","4","1","","Imai, Yoshitane; Nagasaki, Keiko; Murata, Katuzo; Kawaguchi, Kakuhiro; Harada, Takunori; Nakano, Yoko; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Matsubara, Yoshio","Multiple molecular response columnar host system composed of rac-2-amino-1,2-diphenylethanol and 1-fluorenecarboxylic acid","CrystEngComm","2008","10","8","951","","10.1039/b806188m","","","0.71073","MoKα","","0.0486","0.0429","","","0.1016","0.1146","","","","","","1.114","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202176","13.9729","0.0015","6.1709","0.0007","29.952","0.003","90","","94.452","0.002","90","","2574.8","0.5","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H33 N O4 -","- C31 H33 N O4 -","- C124 H132 N4 O16 -","4","1","","Imai, Yoshitane; Nagasaki, Keiko; Murata, Katuzo; Kawaguchi, Kakuhiro; Harada, Takunori; Nakano, Yoko; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Matsubara, Yoshio","Multiple molecular response columnar host system composed of rac-2-amino-1,2-diphenylethanol and 1-fluorenecarboxylic acid","CrystEngComm","2008","10","8","951","","10.1039/b806188m","","","0.71073","MoKα","","0.1083","0.0662","","","0.1398","0.1632","","","","","","1.092","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202177","16.495","0.0013","6.2388","0.0005","26.4","0.002","90","","104.201","0.001","90","","2633.8","0.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H35 N O4 -","- C32 H35 N O4 -","- C128 H140 N4 O16 -","4","1","","Imai, Yoshitane; Nagasaki, Keiko; Murata, Katuzo; Kawaguchi, Kakuhiro; Harada, Takunori; Nakano, Yoko; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Matsubara, Yoshio","Multiple molecular response columnar host system composed of rac-2-amino-1,2-diphenylethanol and 1-fluorenecarboxylic acid","CrystEngComm","2008","10","8","951","","10.1039/b806188m","","","0.71073","MoKα","","0.0885","0.0692","","","0.1487","0.1606","","","","","","1.015","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202180","13.9955","0.001","24.0892","0.0019","21.0625","0.0016","90","","96.991","0.002","90","","7048.2","0.9","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C90 H120 Ag4 Cu12 N68 O40 S2 -","- C90 H116 Ag4 Cu12 N68 O40 S2 -","- C180 H232 Ag8 Cu24 N136 O80 S4 -","2","0.5","","Zheng, Ling-Ling; Leng, Ji-Dong; Zheng, Shao-Liang; Zhaxi, Yong-Cuo; Zhang, Wei-Xiong; Tong, Ming-Liang","Engineering delocalizing π electronic [CuII3(μ3-OH)(μ-pz)3]2+ species into organometallic frameworks by Ag-π coordination","CrystEngComm","2008","10","10","1467","","10.1039/b806202a","","","0.71073","MoKα","","0.1188","0.0754","","","0.1622","0.1841","","","","","","1.025","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202181","26.864","0.003","17.8115","0.0018","16.4104","0.0016","90","","121.659","0.002","90","","6683.7","1.2","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H28 Ag Cl3 Cu3 N12 O16 -","- C18 H28 Ag Cl3 Cu3 N12 O16 -","- C144 H224 Ag8 Cl24 Cu24 N96 O128 -","8","1","","Zheng, Ling-Ling; Leng, Ji-Dong; Zheng, Shao-Liang; Zhaxi, Yong-Cuo; Zhang, Wei-Xiong; Tong, Ming-Liang","Engineering delocalizing π electronic [CuII3(μ3-OH)(μ-pz)3]2+ species into organometallic frameworks by Ag-π coordination","CrystEngComm","2008","10","10","1467","","10.1039/b806202a","","","0.71073","MoKα","","0.0489","0.0385","","","0.085","0.0896","","","","","","1.018","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202182","22.05","0.003","11.7652","0.0013","46.352","0.006","90","","94.643","0.002","90","","11985","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H52.5 Cu6 N26.5 O14.5 S -","- C38 H52.5 Cu6 N26.5 O14.5 S -","- C304 H420 Cu48 N212 O116 S8 -","8","1","","Zheng, Ling-Ling; Leng, Ji-Dong; Zheng, Shao-Liang; Zhaxi, Yong-Cuo; Zhang, Wei-Xiong; Tong, Ming-Liang","Engineering delocalizing π electronic [CuII3(μ3-OH)(μ-pz)3]2+ species into organometallic frameworks by Ag-π coordination","CrystEngComm","2008","10","10","1467","","10.1039/b806202a","","","0.71073","MoKα","","0.0919","0.0565","","","0.1317","0.1475","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202183","13.936","0.003","11.642","0.002","12.09","0.002","90","","108.27","0.03","90","","1862.6","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H9 Mg N2 O7.5 -","- C5 H9 Mg N2 O7.5 -","- C40 H72 Mg8 N16 O60 -","8","1","","Zhong, Rui-Qin; Zou, Ru-Qiang; Du, Miao; Takeichi, Nobuhiko; Xu, Qiang","Observation of helical water chains reversibly inlayed in magnesium imidazole-4,5-dicarboxylate","CrystEngComm","2008","10","9","1175","","10.1039/b806210m","","","0.71073","MoKα","","0.0309","0.0291","","","0.0852","0.0866","","","","","","1.064","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202184","9.8622","0.0003","10.0043","0.0002","14.8619","0.0004","83.738","0.001","83.711","0.003","80.314","0.002","1430.58","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 Cd2 N10 O8 -","- C28 H18 Cd2 N10 O8 -","- C56 H36 Cd4 N20 O16 -","2","1","","Liu, Wenlong; Ye, Lihua; Liu, Xinfang; Yuan, Limin; Jiang, Jiaxun; Yan, Chaoguo","Hydrothermal syntheses, structures and luminescent properties of d10 metal‒organic frameworks based on rigid 3,3′,5,5′-azobenzenetetracarboxylic acid","CrystEngComm","2008","10","10","1395","","10.1039/b806360e","","","0.71073","MoKα","","0.0591","0.0385","","","0.075","0.0774","","","","","","1.006","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202185","21.9618","0.0017","13.7136","0.0011","16.205","0.002","90","","128.842","0.001","90","","3801.4","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H52 Cd4 N12 O20 -","- C80 H52 Cd4 N12 O20 -","- C160 H104 Cd8 N24 O40 -","2","0.25","","Liu, Wenlong; Ye, Lihua; Liu, Xinfang; Yuan, Limin; Jiang, Jiaxun; Yan, Chaoguo","Hydrothermal syntheses, structures and luminescent properties of d10 metal‒organic frameworks based on rigid 3,3′,5,5′-azobenzenetetracarboxylic acid","CrystEngComm","2008","10","10","1395","","10.1039/b806360e","","","0.71073","MoKα","","0.0373","0.0336","","","0.0996","0.1043","","","","","","1.038","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202186","20.978","0.0003","13.1721","0.0002","16.6474","0.0004","90","","129.015","0.002","90","","3574.18","0.15","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H48 N12 O18 Zn4 -","- C80 H48 N12 O18 Zn4 -","- C160 H96 N24 O36 Zn8 -","2","0.25","","Liu, Wenlong; Ye, Lihua; Liu, Xinfang; Yuan, Limin; Jiang, Jiaxun; Yan, Chaoguo","Hydrothermal syntheses, structures and luminescent properties of d10 metal‒organic frameworks based on rigid 3,3′,5,5′-azobenzenetetracarboxylic acid","CrystEngComm","2008","10","10","1395","","10.1039/b806360e","","","0.71073","MoKα","","0.0701","0.0516","","","0.1248","0.129","","","","","","1.022","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202187","30.264","0.004","5.8069","0.0007","21.163","0.003","90","","112.15","0.001","90","","3444.7","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 N6 O10 Zn3 -","- C36 H28 N6 O10 Zn3 -","- C144 H112 N24 O40 Zn12 -","4","0.5","","Liu, Wenlong; Ye, Lihua; Liu, Xinfang; Yuan, Limin; Jiang, Jiaxun; Yan, Chaoguo","Hydrothermal syntheses, structures and luminescent properties of d10 metal‒organic frameworks based on rigid 3,3′,5,5′-azobenzenetetracarboxylic acid","CrystEngComm","2008","10","10","1395","","10.1039/b806360e","","","0.71073","MoKα","","0.0596","0.0463","","","0.1063","0.1095","","","","","","1.045","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202188","16.0657","0.0011","16.0657","0.0011","7.772","0.0004","90","","90","","120","","1737.25","0.19","213","2","213","2","","","","","","","","7","P 63/m c m","-P 6c 2","193","Copper(ii) Fluorophosphate 1:3 Complex with 1,4-bi(1,2,4- triazol-4-yl)benzene","Copper(II) Fluorophosphate 1:3 Complex with 1,4-bi(1,2,4-triazol-4-yl)benzene","","- C30 H24 Cu F N18 O3 P -","- C30 H24 Cu N18 O4 P -","- C60 H48 Cu2 N36 O8 P2 -","2","0.0833333","","Bondar, Oksana A.; Lukashuk, Liliana V.; Lysenko, Andrey B.; Krautscheid, Harald; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","New microporous copper(II) coordination polymers based upon bifunctional 1,2,4-triazole/tetrazolate bridges","CrystEngComm","2008","10","9","1216","","10.1039/b806671j","","","0.71073","MoKα","","0.0597","0.0472","","","0.1188","0.1231","","","","","","0.939","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202189","24.66","0.0018","15.8459","0.0008","7.7808","0.0005","90","","95.485","0.008","90","","3026.5","0.3","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Copper(ii) Nitrate 2:5 Complex with 1,4-bi(1,2,4-triazol-4- yl)benzene, Dihydrate","Copper(II) Nitrate 2:5 Complex with 1,4-bi(1,2,4-triazol-4-yl)benzene, Dihydrate","","- C50 H44 Cu2 N34 O14 -","- C50 H40 Cu2 N34 O14 -","- C100 H80 Cu4 N68 O28 -","2","0.5","","Bondar, Oksana A.; Lukashuk, Liliana V.; Lysenko, Andrey B.; Krautscheid, Harald; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","New microporous copper(II) coordination polymers based upon bifunctional 1,2,4-triazole/tetrazolate bridges","CrystEngComm","2008","10","9","1216","","10.1039/b806671j","","","0.71073","MoKα","","0.0952","0.0467","","","0.1082","0.1151","","","","","","0.812","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202190","28.331","0.003","16.147","0.0012","7.176","0.0009","90","","90","","90","","3282.7","0.6","213","2","213","2","","","","","","","","6","C m c m","-C 2c 2","63","Copper(ii) Chloride 1:2 Complex with 1,4-bi(1,2,4-triazol-4- yl)benzene, Dodecahydrate","Copper(II) Chloride 1:2 Complex with 1,4-bi(1,2,4-triazol-4-yl)benzene, Dodecahydrate","","- C20 H40 Cl2 Cu N12 O12 -","- C20 H16 Cl2 Cu N12 O3 -","- C80 H64 Cl8 Cu4 N48 O12 -","4","0.25","","Bondar, Oksana A.; Lukashuk, Liliana V.; Lysenko, Andrey B.; Krautscheid, Harald; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","New microporous copper(II) coordination polymers based upon bifunctional 1,2,4-triazole/tetrazolate bridges","CrystEngComm","2008","10","9","1216","","10.1039/b806671j","","","0.71073","MoKα","","0.0471","0.037","","","0.0968","0.099","","","","","","1.013","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202191","28.449","0.003","15.7732","0.0017","7.2593","0.0007","90","","90","","90","","3257.5","0.6","213","2","213","2","","","","","","","","6","C m c m","-C 2c 2","63","Copper(ii) Bromide 1:2 Complex with 1,4-bi(1,2,4-triazol-4- yl)benzene, Dodecahydrate","Copper(II) Bromide 1:2 Complex with 1,4-bi(1,2,4-triazol-4-yl)benzene, Dodecahydrate","","- C20 H40 Br2 Cu N12 O12 -","- C20 H16 Br2 Cu N12 O3 -","- C80 H64 Br8 Cu4 N48 O12 -","4","0.25","","Bondar, Oksana A.; Lukashuk, Liliana V.; Lysenko, Andrey B.; Krautscheid, Harald; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","New microporous copper(II) coordination polymers based upon bifunctional 1,2,4-triazole/tetrazolate bridges","CrystEngComm","2008","10","9","1216","","10.1039/b806671j","","","0.71073","MoKα","","0.0963","0.074","","","0.1876","0.1989","","","","","","0.969","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202192","13.3427","0.0011","13.4047","0.0012","13.562","0.0012","102.339","0.002","104.369","0.001","90.477","0.001","2290.6","0.3","213","2","213","2","","","","","","","","7","P -1","-P 1","2","Dihydroxo Tetracopper(ii) Triflate Complex with 1,4-bi(1,2,4- triazol-4-yl)benzene, Dodecahydrate","Dihydroxo Tetracopper(II) Triflate Complex with 1,4-bi(1,2,4-triazol-4-yl)benzene, Dodecahydrate","","- C56 H66 Cu4 F18 N30 O32 S6 -","- C56 H50 Cu4 F18 N30 O32 S6 -","- C56 H50 Cu4 F18 N30 O32 S6 -","1","0.5","","Bondar, Oksana A.; Lukashuk, Liliana V.; Lysenko, Andrey B.; Krautscheid, Harald; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","New microporous copper(II) coordination polymers based upon bifunctional 1,2,4-triazole/tetrazolate bridges","CrystEngComm","2008","10","9","1216","","10.1039/b806671j","","","0.71073","MoKα","","0.0828","0.0657","","","0.1404","0.1449","","","","","","1.163","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202193","5.1275","0.0004","16.3726","0.0011","10.8005","0.0009","90","","99.531","0.01","90","","894.19","0.12","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Dihydroxo Tricopper(ii) Sulfate Complex with 1,4-bi(1,2,4- triazol-4-yl)benzene, Dihydrate","Dihydroxo Tricopper(II) Sulfate Complex with 1,4-bi(1,2,4-triazol-4-yl)benzene, Dihydrate","","- C10 H14 Cu3 N6 O12 S2 -","- C10 H14 Cu3 N6 O12 S2 -","- C20 H28 Cu6 N12 O24 S4 -","2","0.5","","Bondar, Oksana A.; Lukashuk, Liliana V.; Lysenko, Andrey B.; Krautscheid, Harald; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","New microporous copper(II) coordination polymers based upon bifunctional 1,2,4-triazole/tetrazolate bridges","CrystEngComm","2008","10","9","1216","","10.1039/b806671j","","","0.71073","MoKα","","0.0276","0.0251","","","0.0718","0.0727","","","","","","1.058","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202194","7.1442","0.0004","19.4387","0.0015","17.3114","0.0012","90","","90","","90","","2404.1","0.3","291","2","291","2","","","","","","","","6","P n m a","-P 2ac 2n","62","Copper(ii) Sulfate Complex with 1,4-bi(1,2,4-triazol-4- yl)benzene, Hexahydrate","Copper(II) Sulfate Complex with 1,4-bi(1,2,4-triazol-4-yl)benzene, Hexahydrate","","- C10 H20 Cu N6 O10 S -","- C10 H8 Cu N6 O10 S -","- C40 H32 Cu4 N24 O40 S4 -","4","0.5","","Bondar, Oksana A.; Lukashuk, Liliana V.; Lysenko, Andrey B.; Krautscheid, Harald; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","New microporous copper(II) coordination polymers based upon bifunctional 1,2,4-triazole/tetrazolate bridges","CrystEngComm","2008","10","9","1216","","10.1039/b806671j","","","0.71073","MoKα","","0.0557","0.0438","","","0.113","0.1171","","","","","","0.994","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202195","25.822","0.002","7.7119","0.0007","25.1892","0.0019","90","","90","","90","","5016.1","0.7","173","2","173","2","","","","","","","","6","C m c m","-C 2c 2","63","Tris(5-(4-(1,2,4-triazol-4-yl)phenyl)tetrazolato) dicopper(ii) Chloride, Dodecahydrate","Tris[5-(4-(1,2,4-triazol-4-yl)phenyl)tetrazolato] dicopper(II) Chloride, Dodecahydrate","","- C27 H42 Cl Cu2 N21 O12 -","- C28 H18 Cl Cu2 N20 O5 -","- C112 H72 Cl4 Cu8 N80 O20 -","4","0.25","","Bondar, Oksana A.; Lukashuk, Liliana V.; Lysenko, Andrey B.; Krautscheid, Harald; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","New microporous copper(II) coordination polymers based upon bifunctional 1,2,4-triazole/tetrazolate bridges","CrystEngComm","2008","10","9","1216","","10.1039/b806671j","","","0.71073","MoKα","","0.0612","0.0431","","","0.1226","0.1302","","","","","","1.047","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202198","7.9626","0.001","8.0241","0.001","8.1598","0.001","108.788","0.003","111.666","0.002","99.606","0.003","433.83","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C3 H8 Cl3 N2 O2 Re0.5 -","- C3 H8 Cl3 N2 O2 Re0.5 -","- C6 H16 Cl6 N4 O4 Re -","2","1","","Martínez-Lillo, J.; Armentano, D.; De Munno, G.; Marino, N.; Lloret, F.; Julve, M.; Faus, J.","A self-assembled tetrameric water cluster stabilized by the hexachlororhenate(IV) anion and diprotonated 2,2′-biimidazole: X-ray structure and magnetic properties","CrystEngComm","2008","10","10","1284","","10.1039/b806729e","","","0.71073","MoKα","","0.0122","0.0122","","","0.0312","0.0312","","","","","","1.117","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202199","44.405","0.003","10.6645","0.0007","17.5239","0.0012","90","","90","","90","","8298.6","1","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C34 H30 Cu2 I4 N2 O10 -","- C34 H30 Cu2 I4 N2 O10 -","- C272 H240 Cu16 I32 N16 O80 -","8","0.5","","Smart, Paul; Espallargas, Guillermo Mínguez; Brammer, Lee","Competition between coordination network and halogen bond network formation: towards halogen-bond functionalised network materials using copper-iodobenzoate units","CrystEngComm","2008","10","10","1335","","10.1039/b806765a","","","0.71073","MoKα","","0.0236","0.023","","","0.0584","0.0586","","","","","","1.123","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202200","10.391","0.003","11.641","0.003","13.688","0.003","76.709","0.009","79.697","0.009","67.849","0.008","1484.6","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H64 Cu2 I4 O20 -","- C52 H64 Cu2 I4 O20 -","- C52 H64 Cu2 I4 O20 -","1","0.5","","Smart, Paul; Espallargas, Guillermo Mínguez; Brammer, Lee","Competition between coordination network and halogen bond network formation: towards halogen-bond functionalised network materials using copper-iodobenzoate units","CrystEngComm","2008","10","10","1335","","10.1039/b806765a","","","0.71073","MoKα","","0.0354","0.0272","","","0.0598","0.0634","","","","","","1.006","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202201","9.66","0.0019","10.26","0.002","12.929","0.009","92.82","0.04","103.47","0.04","117.75","0.03","1084.2","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H40 Cu2 I4 N4 O8 -","- C40 H40 Cu2 I4 N4 O8 -","- C40 H40 Cu2 I4 N4 O8 -","1","0.5","","Smart, Paul; Espallargas, Guillermo Mínguez; Brammer, Lee","Competition between coordination network and halogen bond network formation: towards halogen-bond functionalised network materials using copper-iodobenzoate units","CrystEngComm","2008","10","10","1335","","10.1039/b806765a","","","0.71073","MoKα","","0.0458","0.0336","","","0.0788","0.0844","","","","","","1.016","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202202","7.8103","0.0017","15.217","0.004","16.61","0.004","111.145","0.003","91.219","0.002","96.167","0.002","1826.7","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C63.33 H42.67 Cl2.67 Cu3 I6 N4 O12 -","- C63.36 H42.72 Cl2.72 Cu3 I6 N4 O12 -","- C63.36 H42.72 Cl2.72 Cu3 I6 N4 O12 -","1","0.5","","Smart, Paul; Espallargas, Guillermo Mínguez; Brammer, Lee","Competition between coordination network and halogen bond network formation: towards halogen-bond functionalised network materials using copper-iodobenzoate units","CrystEngComm","2008","10","10","1335","","10.1039/b806765a","","","0.7848","synchrotron","","0.1564","0.1111","","","0.2689","0.3037","","","","","","1.051","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202203","9.8652","0.0004","14.8494","0.0006","15.1177","0.0006","60.804","0.0004","87.3393","0.0004","86.8946","0.0004","1929.93","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H56 Cu3 I6 N4 O14 -","- C76 H56 Cu3 I6 N4 O14 -","- C76 H56 Cu3 I6 N4 O14 -","1","0.5","","Smart, Paul; Espallargas, Guillermo Mínguez; Brammer, Lee","Competition between coordination network and halogen bond network formation: towards halogen-bond functionalised network materials using copper-iodobenzoate units","CrystEngComm","2008","10","10","1335","","10.1039/b806765a","","","0.7977","synchrotron","","0.0648","0.0569","","","0.1464","0.1532","","","","","","1.058","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202204","7.9727","0.0017","22.654","0.005","8.7259","0.0019","90","","105.636","0.002","90","","1517.7","0.6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H28 Cu I2 N2 O5 -","- C33 H28 Cu I2 N2 O5 -","- C66 H56 Cu2 I4 N4 O10 -","2","1","","Smart, Paul; Espallargas, Guillermo Mínguez; Brammer, Lee","Competition between coordination network and halogen bond network formation: towards halogen-bond functionalised network materials using copper-iodobenzoate units","CrystEngComm","2008","10","10","1335","","10.1039/b806765a","","","0.671","synchrotron","","0.0573","0.0527","","","0.1336","0.1361","","","","","","1.077","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202205","13.3056","0.0007","12.9652","0.0007","23.8435","0.0013","90","","105.518","0.001","90","","3963.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H60 Cu3 I6 N6 O12 -","- C78 H60 Cu3 I6 N6 O12 -","- C156 H120 Cu6 I12 N12 O24 -","2","0.5","","Smart, Paul; Espallargas, Guillermo Mínguez; Brammer, Lee","Competition between coordination network and halogen bond network formation: towards halogen-bond functionalised network materials using copper-iodobenzoate units","CrystEngComm","2008","10","10","1335","","10.1039/b806765a","","","0.671","sYNCHROTRON","","0.0829","0.0521","","","0.1263","0.144","","","","","","1.021","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202206","9.4822","0.0009","16.0485","0.0014","8.9732","0.0008","90","","90","","90","","1365.5","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H9 Cu2 N10 Na -","- C7 H9 Cu2 N10 Na -","- C28 H36 Cu8 N40 Na4 -","4","0.5","","Li, Zhen; Li, Mian; Zhan, Shun-Ze; Huang, Xiao-Chun; Ng, Seik Weng; Li, Dan","Pcuversuslim nets: topological variation of cyano-bridged copper(I)-tetrazole coordination frameworks caused by Cu2(azole)2-SBU versatility","CrystEngComm","2008","10","8","978","","10.1039/b806768f","","","0.71073","MoKα","","0.0343","0.0289","","","0.0765","0.08","","","","","","1.018","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202207","12.67","0.002","3.9209","0.0007","15.407","0.003","90","","100.995","0.003","90","","751.3","0.2","294","2","294","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C7 H9 Cu4 N11 O -","- C7 H9 Cu4 N11 O -","- C14 H18 Cu8 N22 O2 -","2","0.5","","Li, Zhen; Li, Mian; Zhan, Shun-Ze; Huang, Xiao-Chun; Ng, Seik Weng; Li, Dan","Pcuversuslim nets: topological variation of cyano-bridged copper(I)-tetrazole coordination frameworks caused by Cu2(azole)2-SBU versatility","CrystEngComm","2008","10","8","978","","10.1039/b806768f","","","0.71073","MoKα","","0.0304","0.0275","","","0.0773","0.0792","","","","","","1.057","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202208","5.2392","0.0005","8.8344","0.0009","11.552","0.0013","94.526","0.008","95.701","0.007","91.302","0.008","530.13","0.1","153","2","153","2","","","","","","","","5","P -1","-P 1","2","trans-4,4'-azobipyridine. 1,1,2,2,3,3,4,4,5,5,6,6- dodecafluoro-1,8-diiodooctane","trans-4,4'-azobipyridine. 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,8-diiodooctane","","- C16 H8 F12 I2 N4 -","- C16 H8 F12 I2 N4 -","- C16 H8 F12 I2 N4 -","1","0.5","","Fox, David; Metrangolo, Pierangelo; Pasini, Dario; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Site-selective supramolecular synthesis of halogen-bonded cocrystals incorporating the photoactive azo group","CrystEngComm","2008","10","9","1132","","10.1039/b806911e","","","0.71073","MoKα","","0.0325","0.0315","","","0.0807","0.0813","","","","","","1.121","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202209","5.2482","0.0007","8.6925","0.0014","13.289","0.002","84.316","0.007","86.245","0.007","88.241","0.008","601.79","0.16","153","2","153","2","","","","","","","","5","P -1","-P 1","2","trans-4,4'-azobipyridine 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8- hexadecafluoro-1,8-diiodooctane","trans-4,4'-azobipyridine 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-1,8-diiodooctane","","- C18 H8 F16 I2 N4 -","- C18 H8 F16 I2 N4 -","- C18 H8 F16 I2 N4 -","1","0.5","","Fox, David; Metrangolo, Pierangelo; Pasini, Dario; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Site-selective supramolecular synthesis of halogen-bonded cocrystals incorporating the photoactive azo group","CrystEngComm","2008","10","9","1132","","10.1039/b806911e","","","0.71073","MoKα","","0.0278","0.0249","","","0.0628","0.0642","","","","","","1.067","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202210","16.106","0.003","16.126","0.003","19.511","0.004","90","","96.37","0.03","90","","5036.2","1.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 N8 Zn2 -","- C28 H20 N8 Zn2 -","- C224 H160 N64 Zn16 -","8","1","","Yang, Qing-Feng; Cui, Xiao-Bing; Yu, Jie-Hui; Lu, Jing; Yu, Xiao-Yang; Zhang, Xiao; Xu, Ji-Qing; Hou, Qin; Wang, Tie-Gang","A series of metal‒organic complexes constructed from in situ generated organic amines","CrystEngComm","2008","10","11","1534","","10.1039/b806980h","","","0.71073","MoKα","","0.0936","0.0432","","","0.1158","0.1477","","","","","","0.998","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202211","9.118","0.002","12.765","0.003","13.366","0.003","66.445","0.004","72.416","0.004","80.184","0.004","1357.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20.67 Cd N8 O4.33 S -","- C28 H20 Cd N8 O4.33 S -","- C56 H40 Cd2 N16 O8.66 S2 -","2","1","","Yang, Qing-Feng; Cui, Xiao-Bing; Yu, Jie-Hui; Lu, Jing; Yu, Xiao-Yang; Zhang, Xiao; Xu, Ji-Qing; Hou, Qin; Wang, Tie-Gang","A series of metal‒organic complexes constructed from in situ generated organic amines","CrystEngComm","2008","10","11","1534","","10.1039/b806980h","","","0.71073","MoKα","","0.056","0.0493","","","0.1117","0.1167","","","","","","1.107","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202212","12.899","0.003","19.526","0.004","25.889","0.005","90","","94.64","0.03","90","","6499","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C70 H48 Cl2 Co2 N20 -","- C70 H48 Cl2 Co2 N20 -","- C280 H192 Cl8 Co8 N80 -","4","0.5","","Yang, Qing-Feng; Cui, Xiao-Bing; Yu, Jie-Hui; Lu, Jing; Yu, Xiao-Yang; Zhang, Xiao; Xu, Ji-Qing; Hou, Qin; Wang, Tie-Gang","A series of metal‒organic complexes constructed from in situ generated organic amines","CrystEngComm","2008","10","11","1534","","10.1039/b806980h","","","0.71073","MoKα","","0.1804","0.0681","","","0.1614","0.233","","","","","","0.997","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202213","12.5026","0.0011","11.8042","0.0011","9.3038","0.0009","90","","99.637","0.002","90","","1353.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Co N4 O4 -","- C12 H10 Co N4 O4 -","- C48 H40 Co4 N16 O16 -","4","1","","Yang, Qing-Feng; Cui, Xiao-Bing; Yu, Jie-Hui; Lu, Jing; Yu, Xiao-Yang; Zhang, Xiao; Xu, Ji-Qing; Hou, Qin; Wang, Tie-Gang","A series of metal‒organic complexes constructed from in situ generated organic amines","CrystEngComm","2008","10","11","1534","","10.1039/b806980h","","","0.71073","MoKα","","0.0918","0.0627","","","0.1029","0.113","","","","","","1.087","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202214","7.334","0.0014","21.958","0.004","11.623","0.002","90","","97.677","0.004","90","","1855","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N4 O4 Zn -","- C22 H14 N4 O4 Zn -","- C88 H56 N16 O16 Zn4 -","4","1","","Yang, Qing-Feng; Cui, Xiao-Bing; Yu, Jie-Hui; Lu, Jing; Yu, Xiao-Yang; Zhang, Xiao; Xu, Ji-Qing; Hou, Qin; Wang, Tie-Gang","A series of metal‒organic complexes constructed from in situ generated organic amines","CrystEngComm","2008","10","11","1534","","10.1039/b806980h","","","0.71073","MoKα","","0.0514","0.0441","","","0.1057","0.1088","","","","","","0.981","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202215","7.5942","0.0014","7.3317","0.0013","12.113","0.002","90","","104.339","0.004","90","","653.4","0.2","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 N O4 -","- C7 H5 N O4 -","- C28 H20 N4 O16 -","4","1","","Evans, Ivana Radosavljevic; Howard, Judith A. K.; Evans, John S. O.; Postlethwaite, Stella R.; Johnson, Mark R.","Polymorphism and hydrogen bonding in cinchomeronic acid: a variable temperature experimental and computational study","CrystEngComm","2008","10","10","1404","","10.1039/b807015f","","","0.71073","MoKα","","0.1027","0.0792","","0.1568","0.1504","0.1504","","","","","","0.8061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202216","7.7185","0.0014","7.3248","0.0013","12.179","0.002","90","","103.884","0.004","90","","668.4","0.2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 N O4 -","- C7 H5 N O4 -","- C28 H20 N4 O16 -","4","1","","Evans, Ivana Radosavljevic; Howard, Judith A. K.; Evans, John S. O.; Postlethwaite, Stella R.; Johnson, Mark R.","Polymorphism and hydrogen bonding in cinchomeronic acid: a variable temperature experimental and computational study","CrystEngComm","2008","10","10","1404","","10.1039/b807015f","","","0.71073","MoKα","","0.1311","0.0792","","0.1353","0.1261","0.1261","","","","","","0.7352","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202217","5.2948","0.0005","11.1107","0.0011","11.1385","0.0011","90","","90","","90","","655.27","0.11","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H5 N O4 -","- C7 H5 N O4 -","- C28 H20 N4 O16 -","4","1","","Evans, Ivana Radosavljevic; Howard, Judith A. K.; Evans, John S. O.; Postlethwaite, Stella R.; Johnson, Mark R.","Polymorphism and hydrogen bonding in cinchomeronic acid: a variable temperature experimental and computational study","CrystEngComm","2008","10","10","1404","","10.1039/b807015f","","","0.71073","MoKα","","0.0337","0.0303","","0.067","0.0663","0.0663","","","","","","0.8822","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7202218","5.26","0.002","11.201","0.005","11.275","0.005","90","","90","","90","","664.3","0.5","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H5 N O4 -","- C7 H5 N O4 -","- C28 H20 N4 O16 -","4","1","","Evans, Ivana Radosavljevic; Howard, Judith A. K.; Evans, John S. O.; Postlethwaite, Stella R.; Johnson, Mark R.","Polymorphism and hydrogen bonding in cinchomeronic acid: a variable temperature experimental and computational study","CrystEngComm","2008","10","10","1404","","10.1039/b807015f","","","0.71073","MoKα","","0.0423","0.0323","","0.066","0.0643","0.0643","","","","","","0.8776","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7202219","9.8788","0.0006","19.6459","0.0012","22.7918","0.0014","90","","101.545","0.001","90","","4333.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H51 N24 O18 Pr -","- C24 H51 N24 O18 Pr -","- C96 H204 N96 O72 Pr4 -","4","1","","Kostakis, George E.; Abbas, Ghulam; Anson, Christopher E.; Powell, Annie K.","A new class of 3-D porous framework: [Ln(H2O)n]3+ ions act as pillars between π-stacked and H-bonded sheets of (m-BDTH)− organic anions in [Ln(H2O)n](m-BDTH)3·9(H2O) (Ln = Pr, n = 9; Ln = Gd, n = 8)","CrystEngComm","2008","10","9","1117","","10.1039/b807028h","","","0.71073","MoKα","","0.0773","0.0526","","","0.0996","0.1098","","","","","","1.033","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202220","9.9142","0.0003","13.6521","0.0005","16.9555","0.0006","78.682","0.001","76.376","0.001","77.859","0.001","2154.31","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H49 Gd N24 O17 -","- C24 H41 Gd N24 O17 -","- C48 H82 Gd2 N48 O34 -","2","1","","Kostakis, George E.; Abbas, Ghulam; Anson, Christopher E.; Powell, Annie K.","A new class of 3-D porous framework: [Ln(H2O)n]3+ ions act as pillars between π-stacked and H-bonded sheets of (m-BDTH)− organic anions in [Ln(H2O)n](m-BDTH)3·9(H2O) (Ln = Pr, n = 9; Ln = Gd, n = 8)","CrystEngComm","2008","10","9","1117","","10.1039/b807028h","","","0.71073","MoKα","","0.0329","0.0307","","","0.0784","0.0802","","","","","","1.06","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202221","9.4587","0.0013","9.4587","0.0013","21.123","0.004","90","","90","","90","","1889.8","0.5","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C14 H10 Cd3 N4 O14 -","- C14 H10 Cd3 N4 O14 -","- C56 H40 Cd12 N16 O56 -","4","0.5","","Zhang, Jian-Yong; Yue, Qi; Jia, Qin-Xiang; Cheng, Ai-Ling; Gao, En-Qing","Syntheses, structures and luminescence properties of cadmium(II) coordination polymers with in situ formed oxalate and bis(chelating) bridging ligands","CrystEngComm","2008","10","10","1443","","10.1039/b807165a","","","0.71073","MoKα","","0.0269","0.0268","","","0.0622","0.0622","","","","","","1.27","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202222","10.391","0.003","16.868","0.005","11.273","0.003","90","","115.251","0.003","90","","1787.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cd2 N12 O5 -","- C12 H8 Cd2 N12 O5 -","- C48 H32 Cd8 N48 O20 -","4","1","","Zhang, Jian-Yong; Yue, Qi; Jia, Qin-Xiang; Cheng, Ai-Ling; Gao, En-Qing","Syntheses, structures and luminescence properties of cadmium(II) coordination polymers with in situ formed oxalate and bis(chelating) bridging ligands","CrystEngComm","2008","10","10","1443","","10.1039/b807165a","","","0.71073","MoKα","","0.0379","0.0271","","","0.0622","0.0673","","","","","","1.083","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202223","22.7592","0.0018","11.3409","0.0009","17.5006","0.0013","90","","113.104","0.001","90","","4154.8","0.6","187","2","187","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H22 Co4 N6 O16 -","- C40 H22 Co4 N6 O16 -","- C160 H88 Co16 N24 O64 -","4","0.5","","Li, Zhi-Gang; Wang, Guan-Hua; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei; Batten, Stuart R.","Construction of coordination networks with high connectivity: a new 8-connected self-penetrating network based on tetranuclear metal clusters","CrystEngComm","2008","10","8","983","","10.1039/b807195k","","","0.71073","MoKα","","0.0301","0.0263","","","0.0662","0.0685","","","","","","1.04","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202224","22.536","0.003","11.3199","0.0013","17.57","0.002","90","","112.339","0.002","90","","4145.8","0.9","187","2","187","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H22 N6 O16 Zn4 -","- C40 H22 N6 O16 Zn4 -","- C160 H88 N24 O64 Zn16 -","4","0.5","","Li, Zhi-Gang; Wang, Guan-Hua; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei; Batten, Stuart R.","Construction of coordination networks with high connectivity: a new 8-connected self-penetrating network based on tetranuclear metal clusters","CrystEngComm","2008","10","8","983","","10.1039/b807195k","","","0.71073","MoKα","","0.054","0.0379","","","0.0776","0.084","","","","","","1","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202227","12.086","0.0017","12.086","0.0017","12.0361","0.0019","90","","90","","90","","1758.1","0.4","173","","173","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C6 H16 N2 O3.7 -","- C6 H15.404 N2 O3.702 -","- C48 H123.232 N16 O29.616 -","8","0.5","","Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Lörting, Thomas; Schottenberger, Herwig","Hydrogen bonding in the perhydrate and hydrates of 1,4-diazabicyclo[2.2.2]octane (DABCO)","CrystEngComm","2008","10","11","1638","","10.1039/b807303a","","","0.71073","MoKα","","0.0739","0.0563","","","0.1378","0.1534","","","","","","1.084","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202228","21.822","0.004","6.2155","0.0016","10.7703","0.0018","90","","100.225","0.013","90","","1437.6","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H28 N4 O2 -","- C12 H28 N4 O2 -","- C48 H112 N16 O8 -","4","0.5","","Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Lörting, Thomas; Schottenberger, Herwig","Hydrogen bonding in the perhydrate and hydrates of 1,4-diazabicyclo[2.2.2]octane (DABCO)","CrystEngComm","2008","10","11","1638","","10.1039/b807303a","","","0.71073","MoKα","","0.0819","0.0599","","","0.1293","0.138","","","","","","1.088","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202229","12.5426","0.001","12.6014","0.0009","17.2689","0.0013","99.59","0.006","108.32","0.006","99.448","0.006","2485.6","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H24 N2 O6 -","- C6 H14 N2 O6 -","- C48 H112 N16 O48 -","8","4","","Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Lörting, Thomas; Schottenberger, Herwig","Hydrogen bonding in the perhydrate and hydrates of 1,4-diazabicyclo[2.2.2]octane (DABCO)","CrystEngComm","2008","10","11","1638","","10.1039/b807303a","","","0.71073","MoKα","","0.0718","0.0519","","","0.1201","0.1302","","","","","","1.038","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202230","19.486","0.003","19.486","0.003","21.706","0.004","90","","90","","90","","8242","2","294","2","294","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C64 H88 Ag4 Cl4 N8 O16 S8 -","- C64 H88 Ag4 Cl4 N8 O16 S8 -","- C256 H352 Ag16 Cl16 N32 O64 S32 -","4","0.25","","Zhang, Shu-Ming; Hu, Tong-Liang; Li, Jian-Rong; Du, Jian-Long; Bu, Xian-He","Silver(I) coordination architectures with quinoxaline-based N,S-donor ligands: structures and luminescent properties","CrystEngComm","2008","10","11","1595","","10.1039/b807485b","","","0.71073","MoKα","","0.0976","0.064","","","0.1563","0.1809","","","","","","1.026","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202231","13.094","0.003","13.318","0.003","13.684","0.003","90","","93.81","0.03","90","","2381","0.9","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Ag2 N4 O6.5 S2 -","- C16 H22 Ag2 N4 O6.5 S2 -","- C64 H88 Ag8 N16 O26 S8 -","4","1","","Zhang, Shu-Ming; Hu, Tong-Liang; Li, Jian-Rong; Du, Jian-Long; Bu, Xian-He","Silver(I) coordination architectures with quinoxaline-based N,S-donor ligands: structures and luminescent properties","CrystEngComm","2008","10","11","1595","","10.1039/b807485b","","","0.71073","MoKα","","0.1423","0.0857","","","0.2018","0.2368","","","","","","1.069","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202232","15.712","0.0017","9.3505","0.001","18.7239","0.0019","90","","99.482","0.002","90","","2713.2","0.5","294","2","294","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H26 Ag3 N5 O9 S2 -","- C18 H26 Ag3 N5 O9 S2 -","- C72 H104 Ag12 N20 O36 S8 -","4","1","","Zhang, Shu-Ming; Hu, Tong-Liang; Li, Jian-Rong; Du, Jian-Long; Bu, Xian-He","Silver(I) coordination architectures with quinoxaline-based N,S-donor ligands: structures and luminescent properties","CrystEngComm","2008","10","11","1595","","10.1039/b807485b","","","0.71073","MoKα","","0.0233","0.0219","","","0.0492","0.0499","","","","","","1.063","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202233","10.375","0.003","10.831","0.003","15.816","0.004","72.764","0.004","77.914","0.004","84.734","0.005","1659","0.8","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H27 Ag2 Cl2 N5 O10 S2 -","- C25 H27 Ag2 Cl2 N5 O10 S2 -","- C50 H54 Ag4 Cl4 N10 O20 S4 -","2","1","","Zhang, Shu-Ming; Hu, Tong-Liang; Li, Jian-Rong; Du, Jian-Long; Bu, Xian-He","Silver(I) coordination architectures with quinoxaline-based N,S-donor ligands: structures and luminescent properties","CrystEngComm","2008","10","11","1595","","10.1039/b807485b","","","0.71073","MoKα","","0.1354","0.058","","","0.1224","0.1601","","","","","","1.033","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202234","8.256","0.003","14.494","0.006","13.663","0.005","90","","90","","90","","1634.9","1.1","294","2","294","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C14 H6 Ag3 Er N2 O11 -","- C14 H6 Ag3 Er N2 O11 -","- C56 H24 Ag12 Er4 N8 O44 -","4","0.5","","Zhao, B.; Zhao, X-Q.; Chen, Z.; Shi, W.; Cheng, P.; Yan, S-P.; Liao, D-Z.","Structures and near-infrared luminescence of unique 4d‒4f heterometal‒organic frameworks (HMOF)","CrystEngComm","2008","10","9","1144","","10.1039/b807491g","","","0.71073","MoKα","","0.0355","0.0281","","","0.0648","0.0689","","","","","","1.065","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202235","8.794","0.002","9.856","0.002","15.258","0.003","90","","113","0.011","90","","1217.3","0.5","294","2","294","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C21 H11 Ag3 Er N3 O13 -","- C21 H9 Ag3 Er N3 O13 -","- C42 H18 Ag6 Er2 N6 O26 -","2","0.5","","Zhao, B.; Zhao, X-Q.; Chen, Z.; Shi, W.; Cheng, P.; Yan, S-P.; Liao, D-Z.","Structures and near-infrared luminescence of unique 4d‒4f heterometal‒organic frameworks (HMOF)","CrystEngComm","2008","10","9","1144","","10.1039/b807491g","","","0.71073","MoKα","","0.0401","0.036","","","0.0919","0.0949","","","","","","1.076","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202236","20.5787","0.001","20.5787","0.001","20.5787","0.001","90","","90","","90","","8714.7","0.7","180","2","180","2","","","","","","","","6","F d -3 :2","-F 2uv 2vw 3","203","","","","- C12 H24 Cl4 Ga K O6 -","- C12 H24 Cl3.99997 Ga K O6 -","- C192 H384 Cl63.9996 Ga16 K16 O96 -","16","0.166667","","Kwok Chan, Wesley Ting; Eisler, Dana J.; Wright, Dominic S.","[{(18-crown-6)K}GaCl4]∞, a diamondoid structure templated by tetrahedral GaCl4− ions","CrystEngComm","2008","10","10","1315","","10.1039/b807523a","","","0.71073","MoKα","","0.065","0.0439","","","0.1004","0.1117","","","","","","1.1","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202237","10.9047","0.0002","10.0696","0.0002","24.2827","0.0006","90","","90","","90","","2666.39","0.1","296","2","296","2","","","","","","","synthesized","5","P b c a","-P 2ac 2ab","61","","","","- C15 H12 N2 O S -","- C15 H12 N2 O S -","- C120 H96 N16 O8 S8 -","8","1","","Yella, Ramesh; Ghosh, Harisadhan; Patel, Bhisma K.","It is “2-imino-4-thiazolidinones” and not thiohydantoins as the reaction product of 1,3-disubstituted thioureas and chloroacetylchloride","Green Chemistry","2008","10","12","1307","","10.1039/b807775d","","","0.71073","MoKα","","0.0566","0.0344","","","0.086","0.093","","","","","","0.947","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202238","12.9","0.004","10.035","0.004","24.251","0.008","90","","90","","90","","3139.3","1.9","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H10 Cl2 N2 O S -","- C15 H10 Cl2 N2 O S -","- C120 H80 Cl16 N16 O8 S8 -","8","1","","Yella, Ramesh; Ghosh, Harisadhan; Patel, Bhisma K.","It is “2-imino-4-thiazolidinones” and not thiohydantoins as the reaction product of 1,3-disubstituted thioureas and chloroacetylchloride","Green Chemistry","2008","10","12","1307","","10.1039/b807775d","","","0.71073","MoKα","","0.1194","0.0576","","","0.1633","0.1953","","","","","","0.97","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202239","10.534","0.002","12.936","0.003","17.191","0.003","90","","107.77","0.03","90","","2230.8","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C72 H72 N24 O16 S16 -","8","2","","Gelbrich, Thomas; Hughes, David S.; Hursthouse, Michael B.; Threlfall, Terence L.","Packing similarity in polymorphs of sulfathiazole","CrystEngComm","2008","10","10","1328","","10.1039/b807898j","","","0.71073","MoKα","","0.0646","0.04","","","0.0917","0.1016","","","","","","1.032","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202240","10.399","0.002","15.132","0.003","14.28","0.003","90","","91.21","0.03","90","","2246.6","0.8","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C72 H72 N24 O16 S16 -","8","2","","Gelbrich, Thomas; Hughes, David S.; Hursthouse, Michael B.; Threlfall, Terence L.","Packing similarity in polymorphs of sulfathiazole","CrystEngComm","2008","10","10","1328","","10.1039/b807898j","","","","","","","","","","","","","","","","","","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7202241","17.448","0.003","8.498","0.002","15.511","0.003","90","","112.81","0.03","90","","2120","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C72 H72 N24 O16 S16 -","8","2","","Gelbrich, Thomas; Hughes, David S.; Hursthouse, Michael B.; Threlfall, Terence L.","Packing similarity in polymorphs of sulfathiazole","CrystEngComm","2008","10","10","1328","","10.1039/b807898j","","","0.71073","MoKα","","0.1024","0.0485","","","0.0946","0.1072","","","","","","0.93","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202242","8.193","0.002","8.538","0.002","15.437","0.003","90","","94.01","0.03","90","","1077.2","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C36 H36 N12 O8 S8 -","4","1","","Gelbrich, Thomas; Hughes, David S.; Hursthouse, Michael B.; Threlfall, Terence L.","Packing similarity in polymorphs of sulfathiazole","CrystEngComm","2008","10","10","1328","","10.1039/b807898j","","","0.71073","MoKα","","0.0335","0.031","","","0.0812","0.0827","","","","","","1.055","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202243","10.774","0.001","8.467","0.001","11.367","0.001","90","","91.65","0.01","90","","1036.51","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C36 H36 N12 O8 S8 -","4","1","","Gelbrich, Thomas; Hughes, David S.; Hursthouse, Michael B.; Threlfall, Terence L.","Packing similarity in polymorphs of sulfathiazole","CrystEngComm","2008","10","10","1328","","10.1039/b807898j","","","0.71073","MoKα","","0.0555","0.0382","","","0.091","0.0959","","","","","","1.053","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202244","11.0989","0.0013","11.7203","0.0014","13.9843","0.0016","74.993","0.002","84.548","0.002","89.545","0.002","1748.9","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- Cr2 H72 Mo12 O78 Tm2 -","- Cr2 H40 Mo12 O78 Tm2 -","- Cr2 H40 Mo12 O78 Tm2 -","1","0.5","","Zhang, Li-Zhi; Gu, Wen; Dong, Zhili; Liu, Xin; Li, Bing","Phase transformation of a rare-earth Anderson polyoxometalate at low temperature","CrystEngComm","2008","10","10","1318","","10.1039/b808085b","","","0.71073","MoKα","","0.0539","0.0476","","","0.1293","0.1339","","","","","","1.012","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202245","15.607","0.004","15.934","0.005","16.088","0.005","86.667","0.012","72.242","0.009","64.394","0.009","3423.3","1.8","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- Cr2 H72 Mo12 O78 Tm2 -","- Cr2 H40 Mo12 O78 Tm2 -","- Cr4 H80 Mo24 O156 Tm4 -","2","1","","Zhang, Li-Zhi; Gu, Wen; Dong, Zhili; Liu, Xin; Li, Bing","Phase transformation of a rare-earth Anderson polyoxometalate at low temperature","CrystEngComm","2008","10","10","1318","","10.1039/b808085b","","","0.7107","MoKα","","0.0747","0.0434","","","0.1073","0.1265","","","","","","1.065","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202246","13.293","0.0004","16.1758","0.0005","18.5027","0.0006","90","","90","","90","","3978.5","0.2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14.7 H22.1 Cl1.95 N1.35 O5.35 Zn -","- C14.7 H22.1 Cl1.95 N1.35 O5.35 Zn -","- C117.6 H176.8 Cl15.6 N10.8 O42.8 Zn8 -","8","1","","Burrows, Andrew D.; Cassar, Kevin; Mahon, Mary F.; Rigby, Sean P.; Warren, John E.","Synthesis and characterisation of metal‒organic frameworks containing bis(β-diketonate) linkers","CrystEngComm","2008","10","10","1474","","10.1039/b808350a","","","0.6934","Synchrotron","","0.0656","0.0471","","","0.124","0.1321","","","","","","1.042","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202247","11.9762","0.001","14.2223","0.0012","15.5903","0.0014","90","","90","","90","","2655.5","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H33 Cd2 O12.5 -","- C20 H24 Cd2 O12.5 -","- C80 H96 Cd8 O50 -","4","1","","Burrows, Andrew D.; Cassar, Kevin; Mahon, Mary F.; Rigby, Sean P.; Warren, John E.","Synthesis and characterisation of metal‒organic frameworks containing bis(β-diketonate) linkers","CrystEngComm","2008","10","10","1474","","10.1039/b808350a","","","0.6934","Synchrotron","","0.0876","0.0495","","","0.0973","0.112","","","","","","1.003","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202248","16.3499","0.0013","15.4909","0.0013","42.062","0.003","90","","90","","90","","10653.2","1.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H70 O18 S5 Zn3 -","- C41 H69 O18 S5 Zn3 -","- C328 H552 O144 S40 Zn24 -","8","1","","Burrows, Andrew D.; Cassar, Kevin; Mahon, Mary F.; Rigby, Sean P.; Warren, John E.","Synthesis and characterisation of metal‒organic frameworks containing bis(β-diketonate) linkers","CrystEngComm","2008","10","10","1474","","10.1039/b808350a","","","0.8459","","","0.1216","0.0707","","","0.1879","0.2197","","","","","","1.037","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202249","10.47","0.003","13.926","0.003","10.476","0.003","90","","109.048","0.004","90","","1443.8","0.7","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H40 O12 Zn2 -","- C24 H38 O12 Zn2 -","- C48 H76 O24 Zn4 -","2","1","","Burrows, Andrew D.; Cassar, Kevin; Mahon, Mary F.; Rigby, Sean P.; Warren, John E.","Synthesis and characterisation of metal‒organic frameworks containing bis(β-diketonate) linkers","CrystEngComm","2008","10","10","1474","","10.1039/b808350a","","","0.6904","Synchrotron","","0.0853","0.0711","","","0.1736","0.1813","","","","","","0.985","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202250","7.539","0.004","13.843","0.008","12.155","0.007","90","","90.19","0.009","90","","1268.5","1.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H32 O11 Zn2 -","- C21 H27 O11 Zn2 -","- C42 H54 O22 Zn4 -","2","1","","Burrows, Andrew D.; Cassar, Kevin; Mahon, Mary F.; Rigby, Sean P.; Warren, John E.","Synthesis and characterisation of metal‒organic frameworks containing bis(β-diketonate) linkers","CrystEngComm","2008","10","10","1474","","10.1039/b808350a","","","0.846","Synchrotron","","0.1663","0.0872","","","0.1646","0.2006","","","","","","0.973","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202251","33.5656","0.0008","6.6676","0.0002","21.2236","0.0005","90","","126.742","0.001","90","","3806.26","0.18","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H26 Cu4 N4 O18 S -","- C38 H22 Cu4 N4 O18 S -","- C152 H88 Cu16 N16 O72 S4 -","4","0.5","","He, Haiyan; Dai, Fangna; Xie, Aiping; Tong, Xin; Sun, Daofeng","Three novel 3D metal‒organic frameworks with a 1D ladder, tube or chain as assembly units","CrystEngComm","2008","10","10","1429","","10.1039/b808373h","","","0.71073","MoKα","","0.0811","0.0606","","","0.1588","0.1718","","","","","","1.101","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202252","18.802","0.0017","8.5577","0.0008","16.0542","0.0016","90","","99.469","0.007","90","","2548","0.4","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","none","","","- C22 H18 Cu1.5 N2 O7.5 -","- C22 H17 Cu1.5 N2 O7.5 -","- C88 H68 Cu6 N8 O30 -","4","1","","He, Haiyan; Dai, Fangna; Xie, Aiping; Tong, Xin; Sun, Daofeng","Three novel 3D metal‒organic frameworks with a 1D ladder, tube or chain as assembly units","CrystEngComm","2008","10","10","1429","","10.1039/b808373h","","","0.71073","MoKα","","0.2326","0.0935","","","0.2151","0.2842","","","","","","1.009","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202253","14.5","0.005","18.577","0.005","15.394","0.005","90","","103.97","0.03","90","","4024","2","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H41 Cd2 N5 O17 -","- C32 H25 Cd2 N5 O17 -","- C128 H100 Cd8 N20 O68 -","4","1","","He, Haiyan; Dai, Fangna; Xie, Aiping; Tong, Xin; Sun, Daofeng","Three novel 3D metal‒organic frameworks with a 1D ladder, tube or chain as assembly units","CrystEngComm","2008","10","10","1429","","10.1039/b808373h","","","0.71073","MoKα","","0.0743","0.0493","","","0.127","0.1871","","","","","","1.078","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202254","7.666","0.002","11.987","0.003","13.808","0.004","82.236","0.004","88.974","0.004","86.329","0.004","1254.6","0.6","298","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H17 Cl N7 -","- C30 H17 Cl N7 -","- C60 H34 Cl2 N14 -","2","1","","Liu, Guang-Xiang; Xu, Heng; Ren, Xiao-Ming; Sun, Wei-Yin","A series of novel ion-pair complexes based on TCNQ: syntheses, crystal structures and properties","CrystEngComm","2008","10","11","1574","","10.1039/b808390h","","","0.71073","MoKα","","0.0846","0.0671","","","0.1744","0.1942","","","","","","1.002","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202255","4.1599","0.0015","25.278","0.009","19.84","0.007","90","","90.912","0.005","90","","2086","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 Cl N5 -","- C25 H17 Cl N5 -","- C100 H68 Cl4 N20 -","4","1","","Liu, Guang-Xiang; Xu, Heng; Ren, Xiao-Ming; Sun, Wei-Yin","A series of novel ion-pair complexes based on TCNQ: syntheses, crystal structures and properties","CrystEngComm","2008","10","11","1574","","10.1039/b808390h","","","0.71073","MoKα","","0.089","0.0465","","","0.0974","0.1097","","","","","","1.003","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202256","11.702","0.004","8.678","0.003","22.271","0.007","90","","113.082","0.015","90","","2080.6","1.2","296","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N6 -","- C24 H17 N6 -","- C96 H68 N24 -","4","1","","Liu, Guang-Xiang; Xu, Heng; Ren, Xiao-Ming; Sun, Wei-Yin","A series of novel ion-pair complexes based on TCNQ: syntheses, crystal structures and properties","CrystEngComm","2008","10","11","1574","","10.1039/b808390h","","","0.71073","MoKα","","0.0703","0.0587","","","0.1597","0.1705","","","","","","1.044","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202257","35.313","0.018","7.272","0.004","22.982","0.011","90","","124.01","0.03","90","","4892","5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H18.5 Br N5.5 -","- C29 H17 Br N5.5 -","- C232 H136 Br8 N44 -","8","1","","Liu, Guang-Xiang; Xu, Heng; Ren, Xiao-Ming; Sun, Wei-Yin","A series of novel ion-pair complexes based on TCNQ: syntheses, crystal structures and properties","CrystEngComm","2008","10","11","1574","","10.1039/b808390h","","","0.71073","MoKα","","0.1968","0.0804","","","0.1234","0.1373","","","","","","1.024","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7202258","13.0505","0.0006","5.1175","0.0002","18.2405","0.0008","90","","94.243","0.002","90","","1214.87","0.09","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 O6 -","- C14 H12 O6 -","- C56 H48 O24 -","4","1","","Mondal, Pallab; Karmakar, Anirban; Singh, W. Marjit; Baruah, Jubaraj B.","Crystal packing in some flexible carboxylic acids and esters attached to a naphthalene ring","CrystEngComm","2008","10","11","1550","","10.1039/b808399a","","","0.71073","MoKα","","0.0439","0.0368","","","0.0924","0.098","","","","","","1.033","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202259","7.0661","0.0004","7.4816","0.0005","8.0748","0.0005","67.837","0.004","72.069","0.004","74.951","0.004","371.12","0.04","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H16 O6 -","- C16 H16 O6 -","- C16 H16 O6 -","1","0.5","","Mondal, Pallab; Karmakar, Anirban; Singh, W. Marjit; Baruah, Jubaraj B.","Crystal packing in some flexible carboxylic acids and esters attached to a naphthalene ring","CrystEngComm","2008","10","11","1550","","10.1039/b808399a","","","0.71073","MoKα","","0.0576","0.0529","","","0.1498","0.1576","","","","","","1.099","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202260","17.5782","0.0002","9.9572","0.0001","8.6206","0.0001","90","","97.714","0.001","90","","1495.21","0.03","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O6 -","- C16 H16 O6 -","- C64 H64 O24 -","4","1","","Mondal, Pallab; Karmakar, Anirban; Singh, W. Marjit; Baruah, Jubaraj B.","Crystal packing in some flexible carboxylic acids and esters attached to a naphthalene ring","CrystEngComm","2008","10","11","1550","","10.1039/b808399a","","","0.71073","MoKα","","0.0755","0.0417","","","0.0988","0.1137","","","","","","1.046","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202261","7.9575","0.0001","6.923","0.0001","23.3344","0.0004","90","","107.667","0.001","90","","1224.86","0.03","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 O6 -","- C14 H12 O6 -","- C56 H48 O24 -","4","1","","Mondal, Pallab; Karmakar, Anirban; Singh, W. Marjit; Baruah, Jubaraj B.","Crystal packing in some flexible carboxylic acids and esters attached to a naphthalene ring","CrystEngComm","2008","10","11","1550","","10.1039/b808399a","","","0.71073","MoKα","","0.0733","0.0436","","","0.1136","0.1322","","","","","","1.013","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202262","5.5518","0.0004","19.8748","0.0014","39.87","0.003","90","","90","","90","","4399.3","0.6","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H12 O6 S2 -","- C14 H12 O6 S2 -","- C168 H144 O72 S24 -","12","1.5","","Mondal, Pallab; Karmakar, Anirban; Singh, W. Marjit; Baruah, Jubaraj B.","Crystal packing in some flexible carboxylic acids and esters attached to a naphthalene ring","CrystEngComm","2008","10","11","1550","","10.1039/b808399a","","","0.71073","MoKα","","0.0867","0.0519","","","0.1291","0.1566","","","","","","1.083","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202263","6.7148","0.0003","16.6214","0.0006","27.1596","0.001","90","","90","","90","","3031.3","0.2","296","2","296","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- C16 H16 O6 -","- C16 H16 O6 -","- C128 H128 O48 -","8","","","Mondal, Pallab; Karmakar, Anirban; Singh, W. Marjit; Baruah, Jubaraj B.","Crystal packing in some flexible carboxylic acids and esters attached to a naphthalene ring","CrystEngComm","2008","10","11","1550","","10.1039/b808399a","","","0.71073","MoKα","","0.1064","0.0676","","","0.1917","0.2404","","","","","","1.158","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202264","4.9808","0.0003","10.8072","0.0008","12.2998","0.0008","68.554","0.004","79.21","0.004","80.026","0.004","601.36","0.07","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H12 O6 -","- C14 H12 O6 -","- C28 H24 O12 -","2","1","","Mondal, Pallab; Karmakar, Anirban; Singh, W. Marjit; Baruah, Jubaraj B.","Crystal packing in some flexible carboxylic acids and esters attached to a naphthalene ring","CrystEngComm","2008","10","11","1550","","10.1039/b808399a","","","0.71073","MoKα","","0.047","0.0384","","","0.0966","0.102","","","","","","1.068","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202265","27.3847","0.001","6.7513","0.0003","8.0896","0.0003","90","","90.669","0.003","90","","1495.52","0.1","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O6 -","- C16 H16 O6 -","- C64 H64 O24 -","4","1","","Mondal, Pallab; Karmakar, Anirban; Singh, W. Marjit; Baruah, Jubaraj B.","Crystal packing in some flexible carboxylic acids and esters attached to a naphthalene ring","CrystEngComm","2008","10","11","1550","","10.1039/b808399a","","","0.71073","MoKα","","0.1758","0.0678","","","0.1395","0.1796","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202266","21.765","0.004","13.122","0.003","16.206","0.003","90","","111.7","0.03","90","","4300.4","1.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H36 Cu Gd2 N2 O23 -","- C38 H32 Cu Gd2 N2 O22 -","- C152 H128 Cu4 Gd8 N8 O88 -","4","0.5","","Luo, Feng; Yang, Yu-ting; Che, Yun-xia; Zheng, Ji-min","Construction of Cu(II)‒Gd(III) metal‒organic framework by the introduction of a small amino acid molecule: hydrothermal synthesis, structure, thermostability, and magnetic studies","CrystEngComm","2008","10","11","1613","","10.1039/b808464e","","x-ray","0.71073","MoKα","","0.0348","0.0279","","","0.0545","0.0564","","","","","","1.058","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202267","19.511","0.006","13.973","0.005","36.231","0.016","90","","90","","90","","9878","6","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C27 H23 Cu N2 O6 -","- C27 H23 Cu N2 O6 -","- C432 H368 Cu16 N32 O96 -","16","0.5","","Liu, Jian-Qiang; Wang, Yao-Yu; Ma, Lu-Fang; Wen, Gui-Lin; Shi, Qi-Zhen; Batten, Stuart R.; Proserpio, Davide M.","Generation of a 4-crossing [2]-catenane motif by the 2D→2D parallel interpenetration of pairs of (4,4) sheets","CrystEngComm","2008","10","9","1123","","10.1039/b808540b","","","0.71073","MoKα","","0.1989","0.0643","","","0.1413","0.1657","","","","","","0.849","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202268","13.993","0.003","19.661","0.004","36.141","0.008","90","","90","","90","","9943","4","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C27 H22 Co N2 O6 -","- C27 H22 Co N2 O6 -","- C432 H352 Co16 N32 O96 -","16","0.5","","Liu, Jian-Qiang; Wang, Yao-Yu; Ma, Lu-Fang; Wen, Gui-Lin; Shi, Qi-Zhen; Batten, Stuart R.; Proserpio, Davide M.","Generation of a 4-crossing [2]-catenane motif by the 2D→2D parallel interpenetration of pairs of (4,4) sheets","CrystEngComm","2008","10","9","1123","","10.1039/b808540b","","","0.71073","MoKα","","0.1744","0.086","","","0.2335","0.2739","","","","","","0.812","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202269","13.963","0.008","19.593","0.011","36.03","0.02","90","","90","","90","","9857","10","293","2","298","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C54 H48 N4 Ni2 O12 -","- C54 H48 N4 Ni2 O12 -","- C432 H384 N32 Ni16 O96 -","8","0.25","","Liu, Jian-Qiang; Wang, Yao-Yu; Ma, Lu-Fang; Wen, Gui-Lin; Shi, Qi-Zhen; Batten, Stuart R.; Proserpio, Davide M.","Generation of a 4-crossing [2]-catenane motif by the 2D→2D parallel interpenetration of pairs of (4,4) sheets","CrystEngComm","2008","10","9","1123","","10.1039/b808540b","","","0.71073","MoKα","","0.2175","0.0947","","","0.2449","0.271","","","","","","1.06","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202270","16.653","0.001","13.4462","0.0005","19.299","0.001","90","","106.527","0.002","90","","4142.9","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","cole02","","","- C78 H106 N4 O38 P4 -","- C78 H106 N4 O38 P4 -","- C156 H212 N8 O76 P8 -","2","1","","Suwinska, Kinga; Coleman, Anthony W.","Structure of the kanamycin‒calix[4]arene di-O-phosphonate salt","CrystEngComm","2008","10","10","1302","","10.1039/b808568d","","","0.71073","MoKα","","0.103","0.064","","","0.152","0.168","","","","","","0.95","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202271","6.9224","0.0002","12.8632","0.0004","16.8675","0.0005","102.906","0.001","91.912","0.001","94.362","0.001","1457.81","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H26 Ag4 N2 O18 S2 -","- C20 H26 Ag4 N2 O18 S2 -","- C40 H52 Ag8 N4 O36 S4 -","2","1","","Wang, Yu-Ling; Liu, Qing-Yan; Xu, Li","Two novel luminescent silver(I) coordination polymers containing octanuclear silver cluster units or ligand unsupported Ag⋯Ag interactions constructed from 5-sulfoisophthalic acid (H3SIP) and organic amine","CrystEngComm","2008","10","11","1667","","10.1039/b808571d","","","0.71073","MoKα","","0.0437","0.0384","","","0.0994","0.1138","","","","","","1.017","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202272","18.3027","0.0005","11.4073","0.0001","13.7081","0.0004","90","","92.44","0.002","90","","2859.44","0.12","273","2","273","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C28 H24 Ag2 N4 O9 S -","- C28 H24 Ag2 N4 O9 S -","- C112 H96 Ag8 N16 O36 S4 -","4","1","","Wang, Yu-Ling; Liu, Qing-Yan; Xu, Li","Two novel luminescent silver(I) coordination polymers containing octanuclear silver cluster units or ligand unsupported Ag⋯Ag interactions constructed from 5-sulfoisophthalic acid (H3SIP) and organic amine","CrystEngComm","2008","10","11","1667","","10.1039/b808571d","","","0.71073","MoKα","","0.1165","0.0662","","","0.1508","0.1864","","","","","","1.003","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202273","8.1806","0.0004","12.3357","0.0004","15.929","0.0008","73.757","0.003","83.508","0.002","83.782","0.003","1528.43","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H33 Gd N4 O21 U2 -","- C18 H27 Gd N4 O21 U2 -","- C36 H54 Gd2 N8 O42 U4 -","2","1","","Thuéry, Pierre","The first uranyl‒lanthanide heterometallic complexes: metal‒organic frameworks with DOTA and oxalato ligands","CrystEngComm","2008","10","9","1126","","10.1039/b808611g","","","0.71073","MoKα","","0.0379","0.0318","","","0.0853","0.0875","","","","","","1.078","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202274","8.1894","0.0008","12.3511","0.001","15.9186","0.0016","73.824","0.006","83.73","0.005","83.882","0.006","1532.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H33 Eu N4 O21 U2 -","- C18 H27 Eu N4 O21 U2 -","- C36 H54 Eu2 N8 O42 U4 -","2","1","","Thuéry, Pierre","The first uranyl‒lanthanide heterometallic complexes: metal‒organic frameworks with DOTA and oxalato ligands","CrystEngComm","2008","10","9","1126","","10.1039/b808611g","","","0.71073","MoKα","","0.0475","0.0326","","","0.0688","0.0731","","","","","","1.008","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202275","7.0172","0.0014","10.343","0.002","15.516","0.003","90","","90","","90","","1126.1","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 N4 O2 -","- C11 H12 N4 O2 -","- C44 H48 N16 O8 -","4","1","","Bhogala, Balakrishna R.; Chandran, Sreekanth K.; Reddy, L. Sreenivas; Thakuria, Ranjit; Nangia, Ashwini","Molecular networks. Design and serendipity","CrystEngComm","2008","10","12","1735","","10.1039/b808923j","","","0.71073","MoKα","","0.0715","0.0639","","","0.1207","0.1227","","","","","","1.329","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202276","13.3218","0.0014","5.7554","0.0006","24.093","0.003","90","","90.508","0.002","90","","1847.2","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cis,cis-1,3,5-cyclohexanetricarboxylic acid - (4(3H)- pyrimidone)2","cis,cis-1,3,5-cyclohexanetricarboxylic acid - [4(3H)-pyrimidone]2","","- C17 H20 N4 O8 -","- C17 H20 N4 O8 -","- C68 H80 N16 O32 -","4","1","","Bhogala, Balakrishna R.; Chandran, Sreekanth K.; Reddy, L. Sreenivas; Thakuria, Ranjit; Nangia, Ashwini","Molecular networks. Design and serendipity","CrystEngComm","2008","10","12","1735","","10.1039/b808923j","","","0.71073","MoKα","","0.0892","0.0533","","","0.1216","0.1394","","","","","","0.969","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202277","10.704","0.003","15.143","0.004","8.924","0.002","90","","100.006","0.003","90","","1424.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Cl N S2 -","- C14 H16 Cl N S2 -","- C56 H64 Cl4 N4 S8 -","4","1","","Bhadra, Sukalyan; Saha, Amit; Ranu, Brindaban C.","One-pot copper nanoparticle-catalyzed synthesis of S-aryl- and S-vinyl dithiocarbamates in water: high diastereoselectivity achieved for vinyl dithiocarbamates","Green Chemistry","2008","10","11","1224","","10.1039/b809200a","","","0.71073","MoKα","","0.0358","0.0321","","","0.0889","0.0924","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202278","18.2141","0.0005","18.2141","0.0005","7.6303","0.0003","90","","90","","120","","2192.24","0.12","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","Dimethyl(pyruvic-thiosemicarbazonate)tin(IV) THF solvate","","","- C10 H19 N3 O3 S Sn -","- C10 H19 N3 O3 S Sn -","- C60 H114 N18 O18 S6 Sn6 -","6","0.5","","Kovala-Demertzi, Dimitra; Wiecek, Joanna; Plakatouras, John C.; Ciunik, Zbigniew","Self-assembly of dialkyltin(IV) moieties and a thiosemicarbone to a trinuclear macrocycle and the unprecedented formation of two pseudo-polymorphs with different cavities","CrystEngComm","2008","10","10","1291","","10.1039/b809216h","","","0.71073","MoKα","","0.0378","0.0259","","","0.0529","0.055","","","","","","1.094","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202279","20.1191","0.0005","20.1191","0.0005","20.1191","0.0005","90","","90","","90","","8143.8","0.4","100","2","100","2","","","","","","","","6","I 2 3","I 2 2 3","197","Dimethyl(pyruvic-thiosemicarbazonate)tin(IV) THF solvate","","","- C8 H15 N3 O2.5 S Sn -","- C8 H15 N3 O2.5 S Sn -","- C192 H360 N72 O60 S24 Sn24 -","24","1","","Kovala-Demertzi, Dimitra; Wiecek, Joanna; Plakatouras, John C.; Ciunik, Zbigniew","Self-assembly of dialkyltin(IV) moieties and a thiosemicarbone to a trinuclear macrocycle and the unprecedented formation of two pseudo-polymorphs with different cavities","CrystEngComm","2008","10","10","1291","","10.1039/b809216h","","","0.71073","MoKα","","0.0399","0.0292","","","0.0613","0.063","","","","","","0.903","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202280","7.5434","0.0008","18.575","0.002","16.7756","0.0019","90","","90","","90","","2350.6","0.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Cinacalcet HCl acetic acid solvate","","","- C24 H27 Cl F3 N O2 -","- C24 H27 Cl F3 N O2 -","- C96 H108 Cl4 F12 N4 O8 -","4","1","","Braun, Doris E.; Kahlenberg, Volker; Gelbrich, Thomas; Ludescher, Johannes; Griesser, Ulrich J.","Solid state characterisation of four solvates of R-cinacalcet hydrochloride","CrystEngComm","2008","10","11","1617","","10.1039/b809219b","","","0.71073","MoKα","","0.0596","0.0458","","","0.0807","0.0845","","","","","","1.07","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202281","16.846","0.01","16.926","0.01","11.193","0.007","90","","90","","90","","3192","3","173","2","173","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C15 H13 N3 O4 Zn -","- C15 H13 N3 O4 Zn -","- C120 H104 N24 O32 Zn8 -","8","","","Brown, Kyalamboka A.; Martin, David P.; LaDuca, Robert L.","An acentric parallel interpenetrated dual-ligand zinc coordination polymer from an in situ terminal-to-internal alkene rearrangement","CrystEngComm","2008","10","10","1305","","10.1039/b809255a","","","0.71073","MoKα","","0.0604","0.0391","","","0.0982","0.1081","","","","","","1.058","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202283","17.7258","0.0004","17.7258","0.0004","33.5699","0.0008","90","","90","","90","","10547.8","0.4","173","2","173","2","","","","","","","","5","P 43","P 4cw","78","","","","- C96.5 H142 Br N O24 -","- C96.5 H142 Br N O24 -","- C386 H568 Br4 N4 O96 -","4","1","","Busi, Sara; Saxell, Heidi; Fröhlich, Roland; Rissanen, Kari","The role of cation⋯π interactions in capsule formation: co-crystals of resorcinarenes and alkyl ammonium salts","CrystEngComm","2008","10","12","1803","","10.1039/b809503e","","x-ray","0.71073","MoKα","","0.1359","0.0938","","","0.2376","0.2768","","","","","","1.068","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202284","13.498","0.0003","13.36","0.0004","34.577","0.0005","90","","94.25","0.001","90","","6218.2","0.2","173","0.1","173","0.1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C62 H96 Br0.5 N0.5 O10.5 -","- C61.65 H94.25 Br0.5 N0.5 O10.5 -","- C246.6 H377 Br2 N2 O42 -","4","1","","Busi, Sara; Saxell, Heidi; Fröhlich, Roland; Rissanen, Kari","The role of cation⋯π interactions in capsule formation: co-crystals of resorcinarenes and alkyl ammonium salts","CrystEngComm","2008","10","12","1803","","10.1039/b809503e","","","0.71073","MoKα","","0.2361","0.1226","","","0.33","0.3972","","","","","","1.17","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202285","19.682","0.004","27.304","0.006","17.627","0.004","90","","90","","90","","9473","4","173","0.1","173","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C48 H52 Br N O8.6 -","- C48 H52 Br N O8.6 -","- C384 H416 Br8 N8 O68.8 -","8","1","","Busi, Sara; Saxell, Heidi; Fröhlich, Roland; Rissanen, Kari","The role of cation⋯π interactions in capsule formation: co-crystals of resorcinarenes and alkyl ammonium salts","CrystEngComm","2008","10","12","1803","","10.1039/b809503e","","x-ray","0.71073","MoKα","","0.1698","0.1256","","","0.2906","0.3151","","","","","","1.102","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202286","12.851","0.003","14.534","0.003","20.177","0.004","106.64","0.03","98.21","0.03","99.87","0.03","3483.1","1.6","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C76 H86 Cl2 N4 O8 -","- C76 H86 Cl2 N4 O8 -","- C152 H172 Cl4 N8 O16 -","2","1","","Busi, Sara; Saxell, Heidi; Fröhlich, Roland; Rissanen, Kari","The role of cation⋯π interactions in capsule formation: co-crystals of resorcinarenes and alkyl ammonium salts","CrystEngComm","2008","10","12","1803","","10.1039/b809503e","","x-ray","0.71073","MoKα","","0.186","0.1145","","","0.2292","0.2668","","","","","","1.119","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202287","19.196","0.004","16.576","0.003","36.916","0.007","90","","90","","90","","11746","4","173","0.1","173","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C61 H82 Br N O16 -","- C61 H82 Br N O16 -","- C488 H656 Br8 N8 O128 -","8","1","","Busi, Sara; Saxell, Heidi; Fröhlich, Roland; Rissanen, Kari","The role of cation⋯π interactions in capsule formation: co-crystals of resorcinarenes and alkyl ammonium salts","CrystEngComm","2008","10","12","1803","","10.1039/b809503e","","x-ray","0.71073","MoKα","","0.1357","0.0818","","","0.1715","0.2018","","","","","","1.047","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202288","13.9181","0.0015","11.6269","0.0013","18.8112","0.0016","90","","116.025","0.006","90","","2735.4","0.5","213","2","213","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","(((PymPO3(H))2Cu2(H2O)4)(SO3CF3)2.H2O)n","","","- C10 H20 Cu2 F6 N4 O18 P2 S2 -","- C10 H20 Cu2 F6 N4 O18 P2 S2 -","- C40 H80 Cu8 F24 N16 O72 P8 S8 -","4","1","","Samanamu, Christian R.; Zamora, Elena N.; Lesikar, Leslie A.; Montchamp, Jean-Luc; Richards, Anne F.","5-Pyrimidyl phosphonic acid as a building block for the synthesis of coordination polymers","CrystEngComm","2008","10","10","1372","","10.1039/b809504n","","","0.71073","MoKα","","0.053","0.0358","","","0.0812","0.0896","","","","","","1.03","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202289","12.5436","0.0014","7.0918","0.0008","15.5908","0.0017","90","","90","","90","","1386.9","0.3","213","2","213","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","((PymPO)Zn(H2O))","","","- C8 H12 N4 O8 P2 Zn -","- C8 H12 N4 O8 P2 Zn -","- C32 H48 N16 O32 P8 Zn4 -","4","0.5","","Samanamu, Christian R.; Zamora, Elena N.; Lesikar, Leslie A.; Montchamp, Jean-Luc; Richards, Anne F.","5-Pyrimidyl phosphonic acid as a building block for the synthesis of coordination polymers","CrystEngComm","2008","10","10","1372","","10.1039/b809504n","","","0.71073","MoKα","","0.0572","0.034","","","0.0743","0.0847","","","","","","1.03","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202290","10.7216","0.0005","31.7838","0.0013","59.5","0.002","90","","90","","90","","20276","1.4","150","2","150","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C30 H46 N13 O16 Ru -","- C30 H46 N13 O16 Ru -","- C480 H736 N208 O256 Ru16 -","16","0.5","","Cui, Ying; Cao, Man-Li; Yang, Li-Fei; Niu, Yan-Li; Ye, Bao-Hui","Water nanotubes confined to nanochannels of a (10,3)-b net constructed by binary building blocks via the R22(9) synthon","CrystEngComm","2008","10","10","1288","","10.1039/b809511f","","","0.71073","MoKα","","0.1229","0.0754","","","0.218","0.2368","","","","","","1.024","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202291","30.011","0.01","6.584","0.002","18.263","0.007","90","","90.101","0.014","90","","3609","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 Mn N3 O12 -","- C14 H13 Mn N3 O12 -","- C112 H104 Mn8 N24 O96 -","8","1","","Li, Wei; Ju, Zhan-Feng; Yao, Qing-Xia; Zhang, Jie","A novel two-dimensional homochiral manganese(II)-carboxylate coordination framework exhibiting field-induced spin-flop transition","CrystEngComm","2008","10","10","1325","","10.1039/b809627a","","","0.71073","MoKα","","0.0488","0.0414","","","0.1114","0.1175","","","","","","1.011","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202292","14.0102","0.0015","8.088","0.0009","15.8727","0.0017","90","","90","","90","","1798.6","0.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H14 N2 O2 S2 -","- C5 H14 N2 O2 S2 -","- C40 H112 N16 O16 S16 -","8","1","","Howie, R. Alan; de Lima, Geraldo M.; Menezes, Daniele C.; Wardell, James L.; Wardell, Solange M. S. V.; Young, David J.; Tiekink, Edward R. T.","The influence of cation upon the supramolecular aggregation patterns of dithiocarbamate anions functionalised with hydrogen bonding capacity—the prevalence of charge-assisted O‒H⋯S interactions","CrystEngComm","2008","10","11","1626","","10.1039/b809730e","","","0.7107","MoKα","","0.028","0.028","","","0.067","0.068","","","","","","1.13","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202293","7.7299","0.0003","9.8682","0.0004","10.1834","0.0004","70.968","0.002","81.797","0.002","75.662","0.0018","709.83","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","4-aza-1-azoniabicyclo(2.2.2)octanium bis(ethanol)dithiocarbamate","","- C11 H23 N3 O2 S2 -","- C11 H23 N3 O2 S2 -","- C22 H46 N6 O4 S4 -","2","1","","Howie, R. Alan; de Lima, Geraldo M.; Menezes, Daniele C.; Wardell, James L.; Wardell, Solange M. S. V.; Young, David J.; Tiekink, Edward R. T.","The influence of cation upon the supramolecular aggregation patterns of dithiocarbamate anions functionalised with hydrogen bonding capacity—the prevalence of charge-assisted O‒H⋯S interactions","CrystEngComm","2008","10","11","1626","","10.1039/b809730e","","","0.71073","MoKα","","0.053","0.034","","","0.076","0.083","","","","","","1.04","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202294","11.8425","0.0004","9.3648","0.0003","12.1634","0.0004","90","","106.823","0.002","90","","1291.22","0.07","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H21 N3 O S2 -","- C10 H21 N3 O S2 -","- C40 H84 N12 O4 S8 -","4","1","","Howie, R. Alan; de Lima, Geraldo M.; Menezes, Daniele C.; Wardell, James L.; Wardell, Solange M. S. V.; Young, David J.; Tiekink, Edward R. T.","The influence of cation upon the supramolecular aggregation patterns of dithiocarbamate anions functionalised with hydrogen bonding capacity—the prevalence of charge-assisted O‒H⋯S interactions","CrystEngComm","2008","10","11","1626","","10.1039/b809730e","","","0.71069","MoKα","","0.074","0.04","","","0.096","0.118","","","","","","1.1","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202295","7.7319","0.0002","9.5151","0.0002","9.594","0.0002","84.292","0.001","77.195","0.001","85.278","0.001","683.54","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H23 N3 O S2 -","- C11 H23 N3 O S2 -","- C22 H46 N6 O2 S4 -","2","1","","Howie, R. Alan; de Lima, Geraldo M.; Menezes, Daniele C.; Wardell, James L.; Wardell, Solange M. S. V.; Young, David J.; Tiekink, Edward R. T.","The influence of cation upon the supramolecular aggregation patterns of dithiocarbamate anions functionalised with hydrogen bonding capacity—the prevalence of charge-assisted O‒H⋯S interactions","CrystEngComm","2008","10","11","1626","","10.1039/b809730e","","","0.71069","MoKα","","0.042","0.037","","","0.106","0.111","","","","","","1.18","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202296","14.4181","0.0004","8.1107","0.0002","19.0611","0.0005","90","","90","","90","","2229.02","0.1","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C5 H16 N Na O5 S2 -","- C5 H16 N Na O5 S2 -","- C40 H128 N8 Na8 O40 S16 -","8","1","","Howie, R. Alan; de Lima, Geraldo M.; Menezes, Daniele C.; Wardell, James L.; Wardell, Solange M. S. V.; Young, David J.; Tiekink, Edward R. T.","The influence of cation upon the supramolecular aggregation patterns of dithiocarbamate anions functionalised with hydrogen bonding capacity—the prevalence of charge-assisted O‒H⋯S interactions","CrystEngComm","2008","10","11","1626","","10.1039/b809730e","","","0.71069","MoKα","","0.039","0.029","","","0.064","0.068","","","","","","1.11","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202297","26.8102","0.0015","5.8617","0.0002","14.8147","0.0005","90","","106.278","0.002","90","","2234.85","0.17","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H16 N Na O3 S2 -","- C6 H16 N Na O3 S2 -","- C48 H128 N8 Na8 O24 S16 -","8","1","","Howie, R. Alan; de Lima, Geraldo M.; Menezes, Daniele C.; Wardell, James L.; Wardell, Solange M. S. V.; Young, David J.; Tiekink, Edward R. T.","The influence of cation upon the supramolecular aggregation patterns of dithiocarbamate anions functionalised with hydrogen bonding capacity—the prevalence of charge-assisted O‒H⋯S interactions","CrystEngComm","2008","10","11","1626","","10.1039/b809730e","","","0.71069","MoKα","","0.07","0.059","","","0.165","0.17","","","","","","1.14","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202298","7.6968","0.0002","14.1288","0.0003","8.027","0.0001","90","","90","","90","","872.91","0.03","120","2","120","2","","","","","","","","6","P b c m","-P 2c 2b","57","","Potassium bis(ethanol)dithiocarbamate","","- C5 H10 K N O2 S2 -","- C5 H10 K N O2 S2 -","- C20 H40 K4 N4 O8 S8 -","4","0.5","","Howie, R. Alan; de Lima, Geraldo M.; Menezes, Daniele C.; Wardell, James L.; Wardell, Solange M. S. V.; Young, David J.; Tiekink, Edward R. T.","The influence of cation upon the supramolecular aggregation patterns of dithiocarbamate anions functionalised with hydrogen bonding capacity—the prevalence of charge-assisted O‒H⋯S interactions","CrystEngComm","2008","10","11","1626","","10.1039/b809730e","","","0.71073","MoKα","","0.029","0.027","","","0.067","0.068","","","","","","1.31","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202299","16.0465","0.0004","14.2446","0.0003","8.4274","0.0002","90","","90","","90","","1926.3","0.08","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Cesium bis(ethanol)dithiocarbamate","","- C5 H10 Cs N O2 S2 -","- C5 H10 Cs N O2 S2 -","- C40 H80 Cs8 N8 O16 S16 -","8","1","","Howie, R. Alan; de Lima, Geraldo M.; Menezes, Daniele C.; Wardell, James L.; Wardell, Solange M. S. V.; Young, David J.; Tiekink, Edward R. T.","The influence of cation upon the supramolecular aggregation patterns of dithiocarbamate anions functionalised with hydrogen bonding capacity—the prevalence of charge-assisted O‒H⋯S interactions","CrystEngComm","2008","10","11","1626","","10.1039/b809730e","","","0.71073","MoKα","","0.023","0.018","","","0.042","0.044","","","","","","1.06","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202300","9.8941","0.0007","9.8941","0.0007","9.8941","0.0007","90","","90","","90","","968.57","0.12","123","2","123","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C6 H9 Co N4 O4.5 -","- C5.94 H8.94 Co N3.96 O4.47 -","- C23.76 H35.76 Co4 N15.84 O17.88 -","4","0.333333","","Zhang, Wei-Xiong; Xue, Wei; Lin, Jian-Bin; Zheng, Yan-Zhen; Chen, Xiao-Ming","3D geometrically frustrated magnets assembled by transition metal ion and 1,2,3-triazole-4,5-dicarboxylate as triangular nodes","CrystEngComm","2008","10","12","1770","","10.1039/b809838g","","","0.71073","MoKα","","0.03","0.0282","","","0.0701","0.0721","","","","","","1.085","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202301","10.2304","0.0004","10.2304","0.0004","10.2304","0.0004","90","","90","","90","","1070.72","0.07","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C6 H8 Mn N4 O4.5 -","- C5.97 H8.05 Mn N3.97 O4.46 -","- C23.88 H32.2 Mn4 N15.88 O17.84 -","4","0.333333","","Zhang, Wei-Xiong; Xue, Wei; Lin, Jian-Bin; Zheng, Yan-Zhen; Chen, Xiao-Ming","3D geometrically frustrated magnets assembled by transition metal ion and 1,2,3-triazole-4,5-dicarboxylate as triangular nodes","CrystEngComm","2008","10","12","1770","","10.1039/b809838g","","","0.71073","MoKα","","0.0934","0.0905","","","0.2513","0.2546","","","","","","1.208","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202302","14.3295","0.0006","14.3295","0.0006","10.0523","0.0008","90","","90","","120","","1787.55","0.18","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- C4 H9.2 Mn N4 O6.6 -","- C4 H9.2 Mn N4 O6.6 -","- C24 H55.2 Mn6 N24 O39.6 -","6","1","","Zhang, Wei-Xiong; Xue, Wei; Lin, Jian-Bin; Zheng, Yan-Zhen; Chen, Xiao-Ming","3D geometrically frustrated magnets assembled by transition metal ion and 1,2,3-triazole-4,5-dicarboxylate as triangular nodes","CrystEngComm","2008","10","12","1770","","10.1039/b809838g","","","0.71073","MoKα","","0.049","0.0478","","","0.1314","0.1324","","","","","","1.087","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202303","7.8421","0.0002","13.4343","0.0004","12.8692","0.0005","90","","92.665","0.002","90","","1354.34","0.07","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H10 Cl4 Co N4 -","- C6 H10 Cl4 Co N4 -","- C24 H40 Cl16 Co4 N16 -","4","0.5","","Adams, Christopher J.; Kurawa, Mukhtar A.; Lusi, Matteo; Orpen, A. Guy","Solid state synthesis of coordination compounds from basic metal salts","CrystEngComm","2008","10","12","1790","","10.1039/b809950b","","","0.71073","MoKα","","0.1055","0.0998","","","0.2077","0.2155","","","","","","1.308","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202304","7.8266","0.0002","13.4366","0.0004","12.8885","0.0003","90","","92.705","0.002","90","","1353.88","0.06","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H10 Cl4 N4 Zn -","- C6 H10 Cl4 N4 Zn -","- C24 H40 Cl16 N16 Zn4 -","4","0.5","","Adams, Christopher J.; Kurawa, Mukhtar A.; Lusi, Matteo; Orpen, A. Guy","Solid state synthesis of coordination compounds from basic metal salts","CrystEngComm","2008","10","12","1790","","10.1039/b809950b","","","0.71073","MoKα","","0.0649","0.0568","","","0.1384","0.1448","","","","","","1.179","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202305","7.5859","0.0019","13.524","0.003","12.804","0.003","90","","93.434","0.005","90","","1311.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 Cl4 N4 Zn -","- C6 H10 Cl4 N4 Zn -","- C24 H40 Cl16 N16 Zn4 -","4","1","","Adams, Christopher J.; Kurawa, Mukhtar A.; Lusi, Matteo; Orpen, A. Guy","Solid state synthesis of coordination compounds from basic metal salts","CrystEngComm","2008","10","12","1790","","10.1039/b809950b","","","0.71073","MoKα","","0.1332","0.0496","","","0.0802","0.1006","","","","","","0.972","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202306","7.7538","0.0002","11.7092","0.0005","14.7529","0.0007","85.756","0.002","89.684","0.002","86.998","0.002","1333.92","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H10 Cl4 Cu N4 -","- C6 H10 Cl4 Cu N4 -","- C24 H40 Cl16 Cu4 N16 -","4","2","","Adams, Christopher J.; Kurawa, Mukhtar A.; Lusi, Matteo; Orpen, A. Guy","Solid state synthesis of coordination compounds from basic metal salts","CrystEngComm","2008","10","12","1790","","10.1039/b809950b","","","0.71073","MoKα","","0.202","0.106","","","0.1596","0.1949","","","","","","1.089","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202307","7.7642","0.0005","11.3537","0.0007","14.8141","0.0009","85.153","0.011","88.936","0.011","86.47","0.011","1298.64","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H10 Cl4 Cu N4 -","- C6 H10 Cl4 Cu N4 -","- C24 H40 Cl16 Cu4 N16 -","4","2","","Adams, Christopher J.; Kurawa, Mukhtar A.; Lusi, Matteo; Orpen, A. Guy","Solid state synthesis of coordination compounds from basic metal salts","CrystEngComm","2008","10","12","1790","","10.1039/b809950b","","","0.71073","MoKα","","0.0645","0.0366","","","0.0698","0.0768","","","","","","1.026","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202308","6.3682","0.0013","14.511","0.003","17.457","0.004","90","","90","","90","","1613.2","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","((R)-1-phenylethylammonium) 2-naphthalenecarboxylate","((R)-1-phenylethylammonium) 2-naphthalenecarboxylate","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Lemmerer, Andreas; Bourne, Susan A.; Fernandes, Manuel A.","Structural and melting point characterisation of six chiral ammonium naphthalene carboxylate salts","CrystEngComm","2008","10","11","1605","","10.1039/b810068c","","","0.71073","MoKα","","0.0607","0.0521","","","0.1277","0.1334","","","","","","1.087","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202309","6.3709","0.0013","14.513","0.003","17.445","0.004","90","","90","","90","","1613","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","((S)-1-phenylethylammonium) 2-naphthalenecarboxylate","((S)-1-phenylethylammonium) 2-naphthalenecarboxylate","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Lemmerer, Andreas; Bourne, Susan A.; Fernandes, Manuel A.","Structural and melting point characterisation of six chiral ammonium naphthalene carboxylate salts","CrystEngComm","2008","10","11","1605","","10.1039/b810068c","","","0.71073","MoKα","","0.0474","0.037","","","0.0912","0.0968","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202310","6.1388","0.0005","10.6194","0.0005","12.8861","0.0009","105.398","0.004","101.879","0.003","98.163","0.005","775.14","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","bis((RS)-1-phenylethylammonium) 26-naphthalenedicarboxylate","bis((RS)-1-phenylethylammonium) 26-naphthalenedicarboxylate","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C38 H38 N2 O4 -","2","1","","Lemmerer, Andreas; Bourne, Susan A.; Fernandes, Manuel A.","Structural and melting point characterisation of six chiral ammonium naphthalene carboxylate salts","CrystEngComm","2008","10","11","1605","","10.1039/b810068c","","","0.71073","MoKα","","0.0386","0.0349","","","0.094","0.0972","","","","","","1.037","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202311","9.6633","0.0004","6.3731","0.0003","19.721","0.0007","90","","96.041","0.002","90","","1207.78","0.09","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","bis((R)-1-phenylethylammonium) naphthalene-2,6-dicarboxylate","bis((R)-1-phenylethylammonium) naphthalene-2,6-dicarboxylate","","- C28 H30 N2 O4 -","- C28 H30 N2 O4 -","- C56 H60 N4 O8 -","2","1","","Lemmerer, Andreas; Bourne, Susan A.; Fernandes, Manuel A.","Structural and melting point characterisation of six chiral ammonium naphthalene carboxylate salts","CrystEngComm","2008","10","11","1605","","10.1039/b810068c","","","0.71073","MoKα","","0.0412","0.0329","","","0.0813","0.0881","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202312","9.6656","0.0012","6.3707","0.0009","19.708","0.002","90","","96.025","0.007","90","","1206.8","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","bis((S)1-phenylethylammonium) 2,6-naphthalenedicarboxylate","bis((S)1-phenylethylammonium) 2,6-naphthalenedicarboxylate","","- C28 H30 N2 O4 -","- C28 H30 N2 O4 -","- C56 H60 N4 O8 -","2","1","","Lemmerer, Andreas; Bourne, Susan A.; Fernandes, Manuel A.","Structural and melting point characterisation of six chiral ammonium naphthalene carboxylate salts","CrystEngComm","2008","10","11","1605","","10.1039/b810068c","","","0.71073","MoKα","","0.1241","0.0579","","","0.0942","0.1167","","","","","","1.045","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202313","6.1211","0.0005","9.6478","0.0008","10.5813","0.0011","94.483","0.004","98.503","0.004","103.126","0.005","597.8","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","bis((RS)-1-phenylethylammonium) naphthalenedicarboxylate","bis((RS)-1-phenylethylammonium) naphthalenedicarboxylate","","- C28 H30 N2 O4 -","- C28 H30 N2 O4 -","- C28 H30 N2 O4 -","1","0.5","","Lemmerer, Andreas; Bourne, Susan A.; Fernandes, Manuel A.","Structural and melting point characterisation of six chiral ammonium naphthalene carboxylate salts","CrystEngComm","2008","10","11","1605","","10.1039/b810068c","","","0.71073","MoKα","","0.0822","0.0504","","","0.1051","0.1192","","","","","","1.052","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202314","16.666","0.0007","16.666","0.0007","38.157","0.004","90","","90","","120","","9178.4","1.1","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","tris(4-(3-pyridyl)phenylester)cyclotriguaiacylene","tris{4-(3-pyridyl)phenylester)cyclotriguaiacylene","","- C62.5 H47.5 Cl7.5 N3 O9 -","- C62.49 H46.99 Cl7.5 N3 O9 -","- C374.94 H281.94 Cl45 N18 O54 -","6","0.333333","","Ronson, Tanya K.; Hardie, Michaele J.","Extended 36 and 63 arrays of capsule motifs using ligand tris{4-(3-pyridyl)phenylester}cyclotriguaiacylene","CrystEngComm","2008","10","12","1731","","10.1039/b810090j","","","0.71073","MoKα","","0.1068","0.0695","","","0.1888","0.231","","","","","","1.036","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202315","16.1966","0.0004","16.1966","0.0004","34.0682","0.0019","90","","90","","120","","7739.8","0.5","150","2","150","2","","","","","","","","8","P 63/m","-P 6c","176","tris(acetonitrile)chlorobis(tris(4-(3-pyridyl)phenylester) cyclotriguaiacylene)-trisilver(i) tetrafluoroborate acetonitrile clathrate","tris(acetonitrile)chlorobis(tris{4-(3-pyridyl)phenylester) cyclotriguaiacylene)- trisilver(I) tetrafluoroborate acetonitrile clathrate","","- C132 H108 Ag3 B2 Cl F8 N12 O18 -","- C131.96 H90 Ag3 Cl N12 O18 -","- C263.92 H180 Ag6 Cl2 N24 O36 -","2","0.166667","","Ronson, Tanya K.; Hardie, Michaele J.","Extended 36 and 63 arrays of capsule motifs using ligand tris{4-(3-pyridyl)phenylester}cyclotriguaiacylene","CrystEngComm","2008","10","12","1731","","10.1039/b810090j","","","0.71073","MoKα","","0.129","0.0892","","","0.2991","0.3413","","","","","","1.319","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202316","15.7496","0.0002","15.7496","0.0002","35.0891","0.0011","90","","90","","120","","7537.8","0.3","150","2","150","2","","","","","","","","8","P 63/m","-P 6c","176","tris(acetonitrile)chlorobis(tris(4-(3- pyridyl)phenylester)cyclotriguaiacylene)-trisilver(i) hexafluoroarsenate","tris(acetonitrile)chlorobis(tris{4-(3-pyridyl)phenylester)cyclotriguaiacylene)- trisilver(I) hexafluoroarsenate","","- C126 H99 Ag3 As2 Cl F12 N9 O18 -","- C126 H90 Ag3 As1.99 Cl N9 O18 -","- C252 H180 Ag6 As3.98 Cl2 N18 O36 -","2","0.166667","","Ronson, Tanya K.; Hardie, Michaele J.","Extended 36 and 63 arrays of capsule motifs using ligand tris{4-(3-pyridyl)phenylester}cyclotriguaiacylene","CrystEngComm","2008","10","12","1731","","10.1039/b810090j","","","0.71073","MoKα","","0.1204","0.0959","","","0.263","0.2816","","","","","","1.115","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202317","16.247","0.0006","16.247","0.0006","34.382","0.003","90","","90","","120","","7859.7","0.8","150","2","150","2","","","","","","","","6","P 63/m","-P 6c","176","tris(acetonitrile)chlorobis(tris(4-(3- pyridyl)phenylester)cyclotriguaiacylene)-trisilver(i) perchlorate acetonitrile clathrate","tris(acetonitrile)chlorobis(tris{4-(3-pyridyl)phenylester)cyclotriguaiacylene)- trisilver(I) perchlorate acetonitrile clathrate","","- C128 H102 Ag3 Cl3 N10 O26 -","- C128 H90 Ag3 Cl2 N10 O22 -","- C256 H180 Ag6 Cl4 N20 O44 -","2","0.166667","","Ronson, Tanya K.; Hardie, Michaele J.","Extended 36 and 63 arrays of capsule motifs using ligand tris{4-(3-pyridyl)phenylester}cyclotriguaiacylene","CrystEngComm","2008","10","12","1731","","10.1039/b810090j","","","0.71073","MoKα","","0.1031","0.0641","","","0.1805","0.1986","","","","","","1.087","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202318","23.155","0.008","24.935","0.008","8.302","0.003","90","","90","","90","","4793","3","294","2","294","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C46 H44 Cd N18 -","- C46 H44 Cd N18 -","- C184 H176 Cd4 N72 -","4","0.5","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.1242","0.0681","","","0.1419","0.1728","","","","","","1.054","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202319","24.958","0.004","24.637","0.004","8.1686","0.0012","90","","90","","90","","5022.8","1.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C46 H45 Mn N18 O0.5 -","- C46 H45 Mn N18 O0.5 -","- C184 H180 Mn4 N72 O2 -","4","0.5","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.1668","0.1278","","","0.3078","0.3484","","","","","","1.199","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202320","24.893","0.002","24.682","0.002","8.1486","0.0007","90","","90","","90","","5006.6","0.7","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C46 H48 N18 Ni O2 -","- C46 H44 N18 Ni O2 -","- C184 H176 N72 Ni4 O8 -","4","0.5","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.1739","0.0599","","","0.1419","0.1932","","","","","","0.957","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202321","23.791","0.004","24.236","0.004","8.1907","0.0013","90","","90","","90","","4722.7","1.3","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C44.34 H44 Cu N16.34 O2.5 -","- C44.336 H44 Cu N16.336 O2.496 -","- C177.344 H176 Cu4 N65.344 O9.984 -","4","0.5","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.0975","0.0739","","","0.2236","0.2488","","","","","","1.146","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202322","14.4057","0.001","25.3367","0.0015","17.6104","0.001","90","","101.307","0.001","90","","6302.9","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H57 N15 O5 Zn -","- C48 H56 N15 O5 Zn -","- C192 H224 N60 O20 Zn4 -","4","0.5","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.0914","0.0793","","","0.2876","0.3161","","","","","","1.019","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202323","10.2047","0.0009","11.3457","0.0009","11.5102","0.001","89.299","0.001","77.705","0.001","82.604","0.001","1291.09","0.19","294","2","294","2","","","","","","","","4","P 1","P 1","1","","","","- C48 H44 Ag3 N21 -","- C48 H44 Ag3 N21 -","- C48 H44 Ag3 N21 -","1","1","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.0727","0.0575","","","0.15","0.1643","","","","","","1.051","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202324","16.546","0.004","24.142","0.005","25.043","0.006","90","","90","","90","","10004","4","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H44 Cd N14 S2 -","- C44 H44 Cd N14 S2 -","- C352 H352 Cd8 N112 S16 -","8","1","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.1387","0.0627","","","0.1776","0.2453","","","","","","0.986","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202325","24.758","0.002","24.387","0.002","8.2917","0.0007","90","","90","","90","","5006.3","0.7","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C44 H44 Co N14 S2 -","- C44 H44 Co N14 S2 -","- C176 H176 Co4 N56 S8 -","4","0.5","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.1179","0.0711","","","0.215","0.2366","","","","","","1.021","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202326","24.263","0.005","16.387","0.004","24.45","0.005","90","","90","","90","","9721","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H48 Cu N14 O2 S2 -","- C44 H44 Cu N14 O2 S2 -","- C352 H352 Cu8 N112 O16 S16 -","8","1","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.1126","0.0592","","","0.1674","0.2082","","","","","","1.035","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202327","23.637","0.007","25.067","0.007","8.195","0.002","90","","90","","90","","4856","2","294","2","294","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C42 H44 Cd N16.17 O2.74 -","- C42 H44 Cd N16.172 O2.742 -","- C168 H176 Cd4 N64.688 O10.968 -","4","0.5","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.1018","0.0755","","","0.2146","0.2425","","","","","","1.065","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202328","23.955","0.016","24.334","0.016","8.163","0.006","90","","90","","90","","4758","6","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C42 H46 Cu N14 O7 -","- C42 H46 Cu N14 O7 -","- C168 H184 Cu4 N56 O28 -","4","0.5","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.1117","0.0789","","","0.2333","0.2679","","","","","","1.038","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202329","12.6199","0.001","7.8969","0.0006","25.17","0.0017","90","","106.632","0.003","90","","2403.5","0.3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C42 H44 Cd Cl2 N12 -","- C42 H44 Cd Cl2 N12 -","- C84 H88 Cd2 Cl4 N24 -","2","0.5","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.0582","0.0483","","","0.1896","0.2007","","","","","","1.304","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202330","16.893","0.014","16.155","0.013","20.514","0.017","90","","110.628","0.008","90","","5239","7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H49.5 Cd2 N7.5 O13.5 -","- C42 H42.5 Cd2 N7.5 O13.5 -","- C168 H170 Cd8 N30 O54 -","4","1","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.148","0.1195","","","0.3122","0.3318","","","","","","1.062","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202331","28.816","0.006","14.33","0.003","21.034","0.005","90","","90","","90","","8686","3","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C33.5 H41.5 Cd N7.5 O8 -","- C33.5 H38.5 Cd N7.5 O8 -","- C268 H308 Cd8 N60 O64 -","8","1","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.0654","0.0524","","","0.1742","0.188","","","","","","1.047","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202332","11.414","0.004","16.924","0.005","23.486","0.007","90","","99.533","0.004","90","","4474","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H44.5 N7 Ni O8.75 -","- C38 H44.5 N7 Ni O8.75 -","- C152 H178 N28 Ni4 O35 -","4","1","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.1265","0.072","","","0.1972","0.228","","","","","","1.07","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202333","10.9672","0.0012","10.8989","0.0012","39.656","0.004","90","","93.294","0.001","90","","4732.3","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H32 N6 O9 Zn2 -","- C37 H30 N6 O9 Zn2 -","- C148 H120 N24 O36 Zn8 -","4","1","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.1134","0.0755","","","0.2185","0.2426","","","","","","1.065","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202334","13.6564","0.0004","13.6564","0.0004","6.1296","0.0002","90","","90","","120","","990","0.05","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C36 H36 Cl2 Mn N6 O14 -","- C36 H36 Cl2 Mn N6 O14 -","- C36 H36 Cl2 Mn N6 O14 -","1","0.166667","","Sun, Hao-Ling; Wang, Zhe-Ming; Gao, Song; Batten, Stuart R.","Transition metal coordination frameworks with bridges of 1,2-bis(4-pyridyl)ethane-N,N′-dioxide incorporating anions of different size","CrystEngComm","2008","10","12","1796","","10.1039/b810245g","","","0.71073","MoKα","","0.0718","0.055","","","0.1766","0.1851","","","","","","1.107","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202335","5.8754","0.0002","13.367","0.0003","14.6338","0.0004","114.664","0.002","99.732","0.001","95.8","0.001","1010.34","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H40 Cl2 Cu N6 O16 -","- C36 H40 Cl2 Cu N6 O16 -","- C36 H40 Cl2 Cu N6 O16 -","1","0.5","","Sun, Hao-Ling; Wang, Zhe-Ming; Gao, Song; Batten, Stuart R.","Transition metal coordination frameworks with bridges of 1,2-bis(4-pyridyl)ethane-N,N′-dioxide incorporating anions of different size","CrystEngComm","2008","10","12","1796","","10.1039/b810245g","","","0.71073","MoKα","","0.0763","0.0464","","","0.1262","0.1358","","","","","","0.973","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202336","9.9989","0.0001","23.927","0.0003","15.182","0.0003","90","","91.3545","0.0005","90","","3631.18","0.09","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H76 B2 Mn N6 O6 -","- C84 H76 B2 Mn N6 O6 -","- C168 H152 B4 Mn2 N12 O12 -","2","0.5","","Sun, Hao-Ling; Wang, Zhe-Ming; Gao, Song; Batten, Stuart R.","Transition metal coordination frameworks with bridges of 1,2-bis(4-pyridyl)ethane-N,N′-dioxide incorporating anions of different size","CrystEngComm","2008","10","12","1796","","10.1039/b810245g","","","0.71073","MoKα","","0.1027","0.0398","","","0.0907","0.1028","","","","","","0.909","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202337","9.7203","0.0001","25.4382","0.0004","14.571","0.0002","90","","93.702","0.001","90","","3595.41","0.08","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H76 B2 Co N6 O6 -","- C84 H76 B2 Co N6 O6 -","- C168 H152 B4 Co2 N12 O12 -","2","0.5","","Sun, Hao-Ling; Wang, Zhe-Ming; Gao, Song; Batten, Stuart R.","Transition metal coordination frameworks with bridges of 1,2-bis(4-pyridyl)ethane-N,N′-dioxide incorporating anions of different size","CrystEngComm","2008","10","12","1796","","10.1039/b810245g","","","0.71073","MoKα","","0.0847","0.0391","","","0.09","0.0995","","","","","","0.959","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202338","29.612","0.002","16.8947","0.0007","19.6973","0.0015","90","","114.532","0.003","90","","8964.7","1","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C36 H45 Cl2 Co N4 O12.5 -","- C36 H28 Cl2 Co N4 O12.5 -","- C288 H224 Cl16 Co8 N32 O100 -","8","2","","Yao, Qing-Xia; Ju, Zhan-Feng; Li, Wei; Wu, Wei; Zheng, Shou-Tian; Zhang, Jie","Unprecedented 3D polycatenation based on ribbons of rings found in two metallosupramolecular polymers whose open frameworks show reversible collapse upon de- and rehydration","CrystEngComm","2008","10","10","1299","","10.1039/b810523p","","","0.71073","MoKα","","0.1039","0.0885","","","0.2488","0.2731","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202339","9.3502","0.0006","12.0861","0.0008","13.0114","0.0008","85.508","0.001","80.521","0.001","72.623","0.001","1383.45","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 Ag Cl2 N8 O5 -","- C26 H23 Ag Cl2 N8 O5 -","- C52 H46 Ag2 Cl4 N16 O10 -","2","1","","Chandran, Sreekanth K.; Thakuria, Ranjit; Nangia, Ashwini","Silver(I) complexes of N-4-halophenyl-N′-4-pyridyl ureas. Isostructurality, urea⋯nitrate hydrogen bonding, and Ag⋯halogen interaction","CrystEngComm","2008","10","12","1891","","10.1039/b810549a","","","0.71073","MoKα","","0.0258","0.0246","","","0.0598","0.0605","","","","","","1.086","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202340","9.5477","0.0005","12.3303","0.0006","12.8922","0.0007","84.597","0.001","79.376","0.001","71.709","0.001","1415.29","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 Ag Br2 N8 O5 -","- C26 H23 Ag Br2 N8 O5 -","- C52 H46 Ag2 Br4 N16 O10 -","2","1","","Chandran, Sreekanth K.; Thakuria, Ranjit; Nangia, Ashwini","Silver(I) complexes of N-4-halophenyl-N′-4-pyridyl ureas. Isostructurality, urea⋯nitrate hydrogen bonding, and Ag⋯halogen interaction","CrystEngComm","2008","10","12","1891","","10.1039/b810549a","","","0.71073","MoKα","","0.0229","0.0212","","","0.0542","0.055","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202341","13.276","0.001","15.0546","0.0012","17.5415","0.0014","107.806","0.001","105.093","0.001","106.984","0.001","2947.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 Ag I2 N8 O5 -","- C26 H23 Ag I2 N8 O5 -","- C104 H92 Ag4 I8 N32 O20 -","4","2","","Chandran, Sreekanth K.; Thakuria, Ranjit; Nangia, Ashwini","Silver(I) complexes of N-4-halophenyl-N′-4-pyridyl ureas. Isostructurality, urea⋯nitrate hydrogen bonding, and Ag⋯halogen interaction","CrystEngComm","2008","10","12","1891","","10.1039/b810549a","","","0.71073","MoKα","","0.056","0.0379","","","0.0793","0.0863","","","","","","1.013","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202342","10.3793","0.0009","11.5395","0.001","12.498","0.0011","95.354","0.001","101.583","0.001","112.409","0.001","1331.6","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 Ag F2 N8 O5 -","- C26 H23 Ag F2 N8 O5 -","- C52 H46 Ag2 F4 N16 O10 -","2","1","","Chandran, Sreekanth K.; Thakuria, Ranjit; Nangia, Ashwini","Silver(I) complexes of N-4-halophenyl-N′-4-pyridyl ureas. Isostructurality, urea⋯nitrate hydrogen bonding, and Ag⋯halogen interaction","CrystEngComm","2008","10","12","1891","","10.1039/b810549a","","","0.71073","MoKα","","0.0308","0.0278","","","0.067","0.0684","","","","","","1.053","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202343","16.6486","0.0016","10.3266","0.001","32.967","0.003","90","","90.225","0.002","90","","5667.8","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H49 Ag2 F4 N17 O10 -","- C54 H49 Ag2 F4 N17 O10 -","- C216 H196 Ag8 F16 N68 O40 -","4","1","","Chandran, Sreekanth K.; Thakuria, Ranjit; Nangia, Ashwini","Silver(I) complexes of N-4-halophenyl-N′-4-pyridyl ureas. Isostructurality, urea⋯nitrate hydrogen bonding, and Ag⋯halogen interaction","CrystEngComm","2008","10","12","1891","","10.1039/b810549a","","","0.71073","MoKα","","0.0934","0.0672","","","0.1253","0.1336","","","","","","1.175","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202344","19.4555","0.0012","25.7212","0.0016","10.2172","0.0006","90","","102.625","0.001","90","","4989.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H47 Ag2 N15 O10 -","- C50 H47 Ag2 N15 O10 -","- C200 H188 Ag8 N60 O40 -","4","1","","Chandran, Sreekanth K.; Thakuria, Ranjit; Nangia, Ashwini","Silver(I) complexes of N-4-halophenyl-N′-4-pyridyl ureas. Isostructurality, urea⋯nitrate hydrogen bonding, and Ag⋯halogen interaction","CrystEngComm","2008","10","12","1891","","10.1039/b810549a","","","0.71073","MoKα","","0.0378","0.0307","","","0.0742","0.0787","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202345","9.7667","0.0017","12.505","0.002","12.752","0.002","83.684","0.003","78.689","0.003","70.921","0.002","1441.5","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H23 Ag Br1.09 I0.91 N8 O5 -","- C26 H23 Ag Br1.09 I0.91 N8 O5 -","- C52 H46 Ag2 Br2.18 I1.82 N16 O10 -","2","1","","Chandran, Sreekanth K.; Thakuria, Ranjit; Nangia, Ashwini","Silver(I) complexes of N-4-halophenyl-N′-4-pyridyl ureas. Isostructurality, urea⋯nitrate hydrogen bonding, and Ag⋯halogen interaction","CrystEngComm","2008","10","12","1891","","10.1039/b810549a","","","0.71073","MoKα","","0.0718","0.0555","","","0.1412","0.1577","","","","","","1.058","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7202346","9.6987","0.0007","12.4579","0.0009","12.7686","0.0009","84.01","0.001","78.78","0.001","71.024","0.001","1429.64","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H23 Ag Br1.46 I0.54 N8 O5 -","- C26 H23 Ag Br1.481 I0.519 N8 O5 -","- C52 H46 Ag2 Br2.962 I1.038 N16 O10 -","2","1","","Chandran, Sreekanth K.; Thakuria, Ranjit; Nangia, Ashwini","Silver(I) complexes of N-4-halophenyl-N′-4-pyridyl ureas. Isostructurality, urea⋯nitrate hydrogen bonding, and Ag⋯halogen interaction","CrystEngComm","2008","10","12","1891","","10.1039/b810549a","","","0.71073","MoKα","","0.0359","0.0283","","","0.0643","0.067","","","","","","1.05","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7202347","9.5811","0.0009","12.3598","0.0012","12.8807","0.0013","84.463","0.002","79.304","0.002","71.599","0.002","1421","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H23 Ag Br1.94 I0.06 N8 O5 -","- C26 H23 Ag Br1.937 I0.063 N8 O5 -","- C52 H46 Ag2 Br3.874 I0.126 N16 O10 -","2","1","","Chandran, Sreekanth K.; Thakuria, Ranjit; Nangia, Ashwini","Silver(I) complexes of N-4-halophenyl-N′-4-pyridyl ureas. Isostructurality, urea⋯nitrate hydrogen bonding, and Ag⋯halogen interaction","CrystEngComm","2008","10","12","1891","","10.1039/b810549a","","","0.71073","MoKα","","0.0375","0.0289","","","0.0669","0.0701","","","","","","1.044","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7202348","10.847","0.002","11.107","0.002","11.483","0.002","82.93","0.03","63.02","0.03","62.12","0.03","1082.8","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H26 Co2 O20 -","- C10 H26 Co2 O20 -","- C20 H52 Co4 O40 -","2","1","","Fabelo, Oscar; Pasán, Jorge; Cañadillas-Delgado, Laura; Delgado, Fernando S.; Labrador, Ana; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Well-resolved unusual alternating cyclic water tetramers embedded in a crystal host","CrystEngComm","2008","10","12","1743","","10.1039/b810605c","","x-ray","0.7293","synchrotron","","0.0337","0.0324","","","0.0965","0.0987","","","","","","1.075","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202349","6.1375","0.0006","15.5472","0.0015","25.751","0.003","90","","90","","90","","2457.2","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3beta-hydroxypregn-5-en-20-one+4iodophenol cocrystal","3β-hydroxypregn-5-en-20-one+4iodophenol cocrystal","","- C27 H37 I O3 -","- C27 H37 I O3 -","- C108 H148 I4 O12 -","4","1","","Bhatt, Prashant M.; Desiraju, Gautam R.","Co-crystal formation and the determination of absolute configuration","CrystEngComm","2008","10","12","1747","","10.1039/b810643f","","","0.71073","MoKα","","0.0247","0.0236","","","0.0537","0.0542","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202350","12.211","0.005","6.166","0.002","17.398","0.007","90","","102.607","0.007","90","","1278.4","0.8","298","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","3beta-hydroxypregn-5-en-20-one+2,4,6-trichlrophenol cocrystal","3β-hydroxypregn-5-en-20-one+2,4,6-trichlrophenol cocrystal","","- C27 H35 Cl3 O3 -","- C27 H28 Cl3 O3 -","- C54 H56 Cl6 O6 -","2","1","","Bhatt, Prashant M.; Desiraju, Gautam R.","Co-crystal formation and the determination of absolute configuration","CrystEngComm","2008","10","12","1747","","10.1039/b810643f","","","0.71073","MoKα","","0.2232","0.1066","","","0.2241","0.2848","","","","","","1.019","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202351","6.3022","0.0004","10.2952","0.0006","41.964","0.003","90","","91.032","0.001","90","","2722.3","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Cholesterol-4iodophenol(2:1) cocrystal","Cholesterol-4iodophenol(2:1) cocrystal","","- C60 H97 I O3 -","- C60 H92 I O3 -","- C120 H184 I2 O6 -","2","1","","Bhatt, Prashant M.; Desiraju, Gautam R.","Co-crystal formation and the determination of absolute configuration","CrystEngComm","2008","10","12","1747","","10.1039/b810643f","","","0.71073","MoKα","","0.0477","0.0438","","","0.1011","0.103","","","","","","1.096","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202352","8.6899","0.001","7.2501","0.0009","18.504","0.002","90","","92.506","0.002","90","","1164.7","0.2","298","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","Lamivudine + Zidovudine hydrate","Lamivudine + Zidovudine hydrate","","- C18 H26 N8 O8 S -","- C18 H26 N8 O8 S -","- C36 H52 N16 O16 S2 -","2","1","","Bhatt, Prashant M.; Desiraju, Gautam R.","Co-crystal formation and the determination of absolute configuration","CrystEngComm","2008","10","12","1747","","10.1039/b810643f","","","0.71073","MoKα","","0.0408","0.0374","","","0.0965","0.0993","","","","","","1.034","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202353","9.6984","0.0006","13.2334","0.0009","13.7678","0.0009","103.273","0.002","109.719","0.002","95.579","0.002","1589.25","0.18","173","2","173","2","","","","","","","","7","P -1","-P 1","2","bis(5-chloro-2-methylisothiazol-3(2H)-one)silver(i) perchlorate","","","- C16 H16 Ag2 Cl6 N4 O12 S4 -","- C16 H16 Ag2 Cl6 N4 O12 S4 -","- C32 H32 Ag4 Cl12 N8 O24 S8 -","2","1","","Kato, Masaru; Fujihara, Takashi; Yano, Daisaku; Nagasawa, Akira","Anion influence on the coordination polymer structures of silver(I) complexes with 2-methylisothiazol-3(2H)-one","CrystEngComm","2008","10","10","1460","","10.1039/b810652p","","","0.71073","MoKα","","0.0874","0.0576","","","0.1172","0.1304","","","","","","1.015","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202354","9.4051","0.0008","10.6733","0.001","10.0219","0.0009","90","","97.482","0.002","90","","997.47","0.15","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","bis(2-methylisothiazol-3(2H)-one)silver(i) nitrate","","","- C4 H5 Ag2 N3 O7 S -","- C4 H5 Ag2 N3 O7 S -","- C16 H20 Ag8 N12 O28 S4 -","4","1","","Kato, Masaru; Fujihara, Takashi; Yano, Daisaku; Nagasawa, Akira","Anion influence on the coordination polymer structures of silver(I) complexes with 2-methylisothiazol-3(2H)-one","CrystEngComm","2008","10","10","1460","","10.1039/b810652p","","","0.71073","MoKα","","0.0499","0.0392","","","0.0768","0.0803","","","","","","1.078","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202355","14.0018","0.001","21.6139","0.0015","9.7482","0.0007","90","","110.892","0.002","90","","2756.2","0.3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","bis(2-methylisothiazol-3(2H)-one)silver(i) perchlorate","","","- C8 H10 Ag Cl N2 O6 S2 -","- C8 H10 Ag Cl N2 O6 S2 -","- C64 H80 Ag8 Cl8 N16 O48 S16 -","8","1","","Kato, Masaru; Fujihara, Takashi; Yano, Daisaku; Nagasawa, Akira","Anion influence on the coordination polymer structures of silver(I) complexes with 2-methylisothiazol-3(2H)-one","CrystEngComm","2008","10","10","1460","","10.1039/b810652p","","","0.71073","MoKα","","0.0666","0.0575","","","0.1375","0.1433","","","","","","1.053","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202356","14.633","0.003","22.429","0.005","10.935","0.002","90","","116.46","0.03","90","","3213","1.4","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","bis(2-methylisothiazol-3(2H)-one)silver(i) hexafluoroantimonate","","","- C8 H10 Ag F6 N2 O2 S2 Sb -","- C8 H5 Ag F6 N2 O2 S2 Sb -","- C64 H40 Ag8 F48 N16 O16 S16 Sb8 -","8","1","","Kato, Masaru; Fujihara, Takashi; Yano, Daisaku; Nagasawa, Akira","Anion influence on the coordination polymer structures of silver(I) complexes with 2-methylisothiazol-3(2H)-one","CrystEngComm","2008","10","10","1460","","10.1039/b810652p","","","0.71073","MoKα","","0.062","0.0492","","","0.1214","0.1284","","","","","","1.078","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202357","9.3344","0.0006","11.822","0.003","4.7387","0.0003","90","","90","","90","","522.92","0.14","293","","293","","","","1000000","","","","","4","P 21 21 21","P 2ac 2ab","19","Serine Monohydrate","","","- C3 H9 N O4 -","- C3 H9 N O4 -","- C12 H36 N4 O16 -","4","1","","Johnstone, Russell D. L.; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Warren, John E.","High-pressure polymorphism in L-serine monohydrate: identification of driving forces in high pressure phase transitions and possible implications for pressure-induced protein denaturation","CrystEngComm","2008","10","12","1758","","10.1039/b810746g","","","0.4865","synchrotron","","0.0531","0.0408","","0.0427","0.0411","0.0427","","","","","","1.0694","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202358","9.3563","0.0006","11.443","0.002","4.6166","0.0003","90","","90","","90","","494.27","0.1","293","","293","","","","2600000","","","","","4","P 21 21 21","P 2ac 2ab","19","Serine Monohydrate","","","- C3 H9 N O4 -","- C3 H9 N O4 -","- C12 H36 N4 O16 -","4","1","","Johnstone, Russell D. L.; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Warren, John E.","High-pressure polymorphism in L-serine monohydrate: identification of driving forces in high pressure phase transitions and possible implications for pressure-induced protein denaturation","CrystEngComm","2008","10","12","1758","","10.1039/b810746g","","","0.4865","synchrotron","","0.0517","0.0419","","0.0497","0.0478","0.0497","","","","","","0.9923","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202359","9.3706","0.0006","11.204","0.002","4.5341","0.0003","90","","90","","90","","476.03","0.1","293","","293","","","","3700000","","","","","4","P 21 21 21","P 2ac 2ab","19","Serine Monohydrate","","","- C3 H9 N O4 -","- C3 H9 N O4 -","- C12 H36 N4 O16 -","4","1","","Johnstone, Russell D. L.; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Warren, John E.","High-pressure polymorphism in L-serine monohydrate: identification of driving forces in high pressure phase transitions and possible implications for pressure-induced protein denaturation","CrystEngComm","2008","10","12","1758","","10.1039/b810746g","","","0.4865","Synchrotron","","0.0546","0.0418","","0.0781","0.0947","0.07813","","","","","","1.559","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202360","9.3701","0.0014","11.1831","0.001","4.52938","0.00059","90","","90","","90","","474.62","0.1","298","","298","","3805000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Serine hydrate","perdeuterated L-serine hydrate","","- C3 D9 N O4 -","- C3 D9 N O4 -","- C12 D36 N4 O16 -","4","1","","Johnstone, Russell D. L.; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Warren, John E.","High-pressure polymorphism in L-serine monohydrate: identification of driving forces in high pressure phase transitions and possible implications for pressure-induced protein denaturation","CrystEngComm","2008","10","12","1758","","10.1039/b810746g","powder diffraction","neutron","","Neutron","","","","","","","","","","1.121","","","","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202361","9.3728","0.0005","11.0359","0.0017","4.4782","0.0003","90","","90","","90","","463.21","0.08","293","","293","","","","4500000","","","","","4","P 21 21 21","P 2ac 2ab","19","Serine Monohydrate","","","- C3 H9 N O4 -","- C3 H9 N O4 -","- C12 H36 N4 O16 -","4","1","","Johnstone, Russell D. L.; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Warren, John E.","High-pressure polymorphism in L-serine monohydrate: identification of driving forces in high pressure phase transitions and possible implications for pressure-induced protein denaturation","CrystEngComm","2008","10","12","1758","","10.1039/b810746g","","","0.4865","synchrotron","","0.0465","0.0381","","0.0436","0.0421","0.0436","","","","","","0.8385","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202362","9.8778","0.0013","10.155","0.004","4.4175","0.0007","90","","90","","90","","443.1","0.2","293","","293","","","","5200000","","","","","4","P 21 21 21","P 2ac 2ab","19","Serine Monohydrate","","","- C3 H9 N O4 -","- C3 H9 N O4 -","- C12 H36 N4 O16 -","4","1","","Johnstone, Russell D. L.; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Warren, John E.","High-pressure polymorphism in L-serine monohydrate: identification of driving forces in high pressure phase transitions and possible implications for pressure-induced protein denaturation","CrystEngComm","2008","10","12","1758","","10.1039/b810746g","","","0.4865","synchrotron","","0.1128","0.0718","","0.111","0.1032","0.111","","","","","","1.67","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202363","9.8641","0.0014","10.0991","0.00093","4.3986","0.00065","90","","90","","90","","438.18","0.1","298","","298","","5810000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Serine hydrate","perdeuterated L-serine hydrate","","- C3 D9 N O4 -","- C3 D9 N O4 -","- C12 D36 N4 O16 -","4","1","","Johnstone, Russell D. L.; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Warren, John E.","High-pressure polymorphism in L-serine monohydrate: identification of driving forces in high pressure phase transitions and possible implications for pressure-induced protein denaturation","CrystEngComm","2008","10","12","1758","","10.1039/b810746g","powder diffraction","neutron","","Neutron","","","","","","","","","","1.211","","","","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202364","30.328","0.006","7.3131","0.0015","15.67","0.003","90","","118.22","0.03","90","","3062.4","1.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 Ag2 B2 F8 N12 O -","- C24 H24 Ag2 B2 F8 N12 O -","- C96 H96 Ag8 B8 F32 N48 O4 -","4","0.5","","Du, Jian-Long; Hu, Tong-Liang; Zhang, Shu-Ming; Zeng, Yong-Fei; Bu, Xian-He","Tuning silver(I) coordination architectures by ligands design: from dinuclear, trinuclear, to 1D and 3D frameworks","CrystEngComm","2008","10","12","1866","","10.1039/b810773d","","","0.71073","MoKα","","0.0871","0.0629","","","0.1412","0.1549","","","","","","1.005","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202365","8.4723","0.0017","9.6587","0.0019","21.283","0.004","90","","90","","90","","1741.6","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Ag2 N8 O6 -","- C12 H12 Ag2 N8 O6 -","- C48 H48 Ag8 N32 O24 -","4","1","","Du, Jian-Long; Hu, Tong-Liang; Zhang, Shu-Ming; Zeng, Yong-Fei; Bu, Xian-He","Tuning silver(I) coordination architectures by ligands design: from dinuclear, trinuclear, to 1D and 3D frameworks","CrystEngComm","2008","10","12","1866","","10.1039/b810773d","","","0.71073","MoKα","","0.0457","0.0352","","","0.0541","0.0562","","","","","","1.104","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202366","4.4484","0.0009","7.2739","0.0015","12.024","0.002","84.31","0.03","87.7","0.03","81.05","0.03","382.31","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Ag N7 O3 -","- C12 H12 Ag N7 O3 -","- C12 H12 Ag N7 O3 -","1","0.5","","Du, Jian-Long; Hu, Tong-Liang; Zhang, Shu-Ming; Zeng, Yong-Fei; Bu, Xian-He","Tuning silver(I) coordination architectures by ligands design: from dinuclear, trinuclear, to 1D and 3D frameworks","CrystEngComm","2008","10","12","1866","","10.1039/b810773d","","","0.71073","MoKα","","0.0613","0.0423","","","0.0895","0.0965","","","","","","1.089","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202367","35.56","0.008","25.36","0.01","24.868","0.005","90","","90","","90","","22426","11","293","2","293","2","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C144 H168 Ag12 F36 N72 O14 Si6 -","- C144 H168 Ag12 F36 N72 O14 Si6 -","- C576 H672 Ag48 F144 N288 O56 Si24 -","4","0.25","","Du, Jian-Long; Hu, Tong-Liang; Zhang, Shu-Ming; Zeng, Yong-Fei; Bu, Xian-He","Tuning silver(I) coordination architectures by ligands design: from dinuclear, trinuclear, to 1D and 3D frameworks","CrystEngComm","2008","10","12","1866","","10.1039/b810773d","","","0.71073","MoKα","","0.2648","0.1471","","","0.3549","0.4502","","","","","","1.429","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202368","11.825","0.002","13.982","0.003","17.485","0.004","72.81","0.03","71.67","0.03","75.76","0.03","2584.1","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H46 Ag2 N14 O7 -","- C56 H44 Ag2 N14 O7 -","- C112 H88 Ag4 N28 O14 -","2","1","","Du, Jian-Long; Hu, Tong-Liang; Zhang, Shu-Ming; Zeng, Yong-Fei; Bu, Xian-He","Tuning silver(I) coordination architectures by ligands design: from dinuclear, trinuclear, to 1D and 3D frameworks","CrystEngComm","2008","10","12","1866","","10.1039/b810773d","","","0.71073","MoKα","","0.0928","0.0582","","","0.1294","0.1448","","","","","","1.017","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202369","7.8598","0.0016","23.614","0.005","15.059","0.003","90","","99.26","0.03","90","","2758.5","1","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C124 H88 Ag4 N20 O16 -","- C124 H88 Ag4 N20 O15.96 -","- C124 H88 Ag4 N20 O15.96 -","1","0.125","","Du, Jian-Long; Hu, Tong-Liang; Zhang, Shu-Ming; Zeng, Yong-Fei; Bu, Xian-He","Tuning silver(I) coordination architectures by ligands design: from dinuclear, trinuclear, to 1D and 3D frameworks","CrystEngComm","2008","10","12","1866","","10.1039/b810773d","","","0.71073","MoKα","","0.0987","0.0844","","","0.2106","0.2238","","","","","","1.13","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202370","15.154","0.009","11.571","0.007","8.027","0.005","90","","111.637","0.01","90","","1308.3","1.4","300","2","300","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C14 H8 S4 -","- C14 H8 S4 -","- C56 H32 S16 -","4","1","","Brillante, Aldo; Bilotti, Ivano; Della Valle, Raffaele Guido; Venuti, Elisabetta; Milita, Silvia; Dionigi, Chiara; Borgatti, Francesco; Lazar, Adina Nicoleta; Biscarini, Fabio; Mas-Torrent, Marta; Oxtoby, Neil S.; Crivillers, Nuria; Veciana, Jaume; Rovira, Concepció; Leufgen, Michael; Schmidt, Georg; Molenkamp, Laurens W.","The four polymorphic modifications of the semiconductor dibenzo-tetrathiafulvalene","CrystEngComm","2008","10","12","1899","","10.1039/b810993a","","","0.71073","MoKα","","0.0786","0.0553","","","0.1242","0.1343","","","","","","0.943","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202371","20.684","0.002","10.3021","0.001","19.5142","0.001","90","","109.332","0.001","90","","3923.8","0.6","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C53 H41 O5 -","- C53 H41 O5 -","- C212 H164 O20 -","4","1","","Kuroda, Reiko; Sato, Tomohiro; Imai, Yoshitane","Varied charge-transfer complex crystals formed between diols and benzoquinone in the solid and solution states","CrystEngComm","2008","10","12","1881","","10.1039/b811141c","","","0.71073","MoKα","","0.1041","0.0484","","","0.0947","0.1068","","","","","","0.906","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202376","9.6584","0.0006","11.3064","0.0007","13.3168","0.0008","69.157","0.001","84.663","0.001","78.634","0.001","1331.98","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","bis adenine copper complex","","","- C21 H29 Cl2 Cu N10 O2 -","- C21 H29 Cl2 Cu N10 O2 -","- C42 H58 Cl4 Cu2 N20 O4 -","2","1","","Mishra, Ashutosh Kumar; Purohit, Chandra Shekhar; Verma, Sandeep","Contrasting crystallographic signatures of Ag(i)- and Cu(ii)-N6,N6′- bisadenine complexes: extended vs. foldback geometries","CrystEngComm","2008","10","10","1296","","10.1039/b811205n","","","0.71073","MoKα","","0.0998","0.068","","","0.1767","0.2664","","","","","","1.148","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202377","8.7535","0.0014","13.673","0.002","43.743","0.007","90","","90","","90","","5235.5","1.4","293","2","293","2","","","","","","","","5","I b c a","-I 2b 2c","73","Bisadenine silver complex","","","- C19 H26 Ag N11 O6 -","- C19 H26 Ag N11 O6 -","- C152 H208 Ag8 N88 O48 -","8","0.5","","Mishra, Ashutosh Kumar; Purohit, Chandra Shekhar; Verma, Sandeep","Contrasting crystallographic signatures of Ag(i)- and Cu(ii)-N6,N6′- bisadenine complexes: extended vs. foldback geometries","CrystEngComm","2008","10","10","1296","","10.1039/b811205n","","","0.71073","MoKα","","0.0897","0.0728","","","0.2114","0.2372","","","","","","1.046","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202378","14.566","0.003","7.4368","0.0014","6.2542","0.0012","90","","96.822","0.004","90","","672.7","0.2","300","","300","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","E,E,E-1,6-diphenyl-1,3,5-hexatriene","","- C18 H16 -","- C18 H16 -","- C36 H32 -","2","0.5","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of all-trans-1,6-diphenyl-1,3,5-hexatriene in two crystalline forms","CrystEngComm","2008","10","12","1777","","10.1039/b811220g","","","0.71073","MoKα","","0.0882","0.0516","","","0.124","0.1481","","","","","","1.028","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202379","14.4012","0.0013","7.2212","0.0006","6.2416","0.0006","90","","96.338","0.002","90","","645.12","0.1","90","","90","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","E,E,E-1,6-diphenyl-1,3,5-hexatriene","","- C18 H16 -","- C18 H16 -","- C36 H32 -","2","0.5","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of all-trans-1,6-diphenyl-1,3,5-hexatriene in two crystalline forms","CrystEngComm","2008","10","12","1777","","10.1039/b811220g","","","0.71073","MoKα","","0.0504","0.0428","","","0.109","0.1149","","","","","","1.044","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202380","7.7403","0.0005","9.8733","0.0007","18.1285","0.0013","90","","90","","90","","1385.42","0.17","300","","300","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","E,E,E-1,6-diphenyl-1,3,5-hexatriene","","- C18 H16 -","- C18 H16 -","- C72 H64 -","4","0.5","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of all-trans-1,6-diphenyl-1,3,5-hexatriene in two crystalline forms","CrystEngComm","2008","10","12","1777","","10.1039/b811220g","","","0.71073","MoKα","","0.0771","0.0417","","","0.0923","0.1139","","","","","","1.009","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202381","7.4842","0.0003","10.0656","0.0004","17.6698","0.0007","90","","90","","90","","1331.12","0.09","90","","90","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","E,E,E-1,6-diphenylhexatriene","","- C18 H16 -","- C18 H16 -","- C72 H64 -","4","0.5","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of all-trans-1,6-diphenyl-1,3,5-hexatriene in two crystalline forms","CrystEngComm","2008","10","12","1777","","10.1039/b811220g","","","0.71073","MoKα","","0.0484","0.0432","","","0.1141","0.1187","","","","","","1.047","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202382","7.883","0.002","9.67","0.003","18.529","0.005","90","","90","","90","","1412.4","0.7","370","","370","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","E,E,E-1,6-diphenyl-1,3,5-hexatriene","","- C18 H16 -","- C18 H16 -","- C72 H64 -","4","0.5","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of all-trans-1,6-diphenyl-1,3,5-hexatriene in two crystalline forms","CrystEngComm","2008","10","12","1777","","10.1039/b811220g","","","0.71073","MoKα","","0.1142","0.054","","","0.1712","0.2354","","","","","","1.022","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202383","7.7439","0.0005","9.8691","0.0007","18.1365","0.0012","90","","90","","90","","1386.09","0.16","300","","300","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","E,E,E-1,6-diphenyl-1,3,5-hexatriene","","- C18 H16 -","- C18 H16 -","- C72 H64 -","4","0.5","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of all-trans-1,6-diphenyl-1,3,5-hexatriene in two crystalline forms","CrystEngComm","2008","10","12","1777","","10.1039/b811220g","","","0.71073","MoKα","","0.0816","0.0398","","","0.09","0.113","","","","","","0.994","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202389","14.6382","0.0016","3.8142","0.0006","23.812","0.003","90","","101.146","0.011","90","","1304.4","0.3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H5 Cl O2 -","- C7 H5 Cl O2 -","- C56 H40 Cl8 O16 -","8","1","","Polito, Marco; D'Oria, Emiliana; Maini, Lucia; Karamertzanis, Panagiotis G.; Grepioni, Fabrizia; Braga, Dario; Price, Sarah L.","The crystal structures of chloro and methyl ortho-benzoic acids and their co-crystal: rationalizing similarities and differences","CrystEngComm","2008","10","12","1848","","10.1039/b811438b","","","0.71073","MoKα","","0.0588","0.0455","","","0.1116","0.1185","","","","","","0.994","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202390","3.8267","0.0003","23.26","0.002","7.6502","0.0001","90","","104.372","0.007","90","","659.63","0.08","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H13 Cl O4 -","- C15 H13 Cl O4 -","- C30 H26 Cl2 O8 -","2","1","","Polito, Marco; D'Oria, Emiliana; Maini, Lucia; Karamertzanis, Panagiotis G.; Grepioni, Fabrizia; Braga, Dario; Price, Sarah L.","The crystal structures of chloro and methyl ortho-benzoic acids and their co-crystal: rationalizing similarities and differences","CrystEngComm","2008","10","12","1848","","10.1039/b811438b","","","0.71073","MoKα","","0.0551","0.0433","","","0.1141","0.1235","","","","","","0.953","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202391","4.831","0.003","19.42","0.006","7.7608","0.0019","90","","106.87","0.03","90","","696.8","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 O2 -","- C8 H8 O2 -","- C32 H32 O8 -","4","1","","Polito, Marco; D'Oria, Emiliana; Maini, Lucia; Karamertzanis, Panagiotis G.; Grepioni, Fabrizia; Braga, Dario; Price, Sarah L.","The crystal structures of chloro and methyl ortho-benzoic acids and their co-crystal: rationalizing similarities and differences","CrystEngComm","2008","10","12","1848","","10.1039/b811438b","","","0.71073","MoKα","","0.1211","0.0526","","","0.1368","0.2296","","","","","","0.622","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202392","9.5846","0.0012","10.1883","0.0013","14.561","0.002","88.801","0.002","81.921","0.002","63.489","0.002","1258.3","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H52 N6 O12 S4 -","- C48 H52 N6 O12 S4 -","- C48 H52 N6 O12 S4 -","1","0.5","","Hamblin, Jacqueline; Argent, Stephen P.; Blake, Alexander J.; Wilson, Claire; Champness, Neil R.","Hydrogen-bonding tectons for the construction of bimolecular framework materials","CrystEngComm","2008","10","12","1782","","10.1039/b811462e","","","0.71073","MoKα","","0.0643","0.0486","","","0.119","0.1263","","","","","","0.963","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202393","6.54","0.002","7.502","0.002","8.185","0.002","90.704","0.005","91.595","0.004","93.648","0.005","400.57","0.19","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N4 O4 -","- C18 H18 N4 O4 -","- C18 H18 N4 O4 -","1","0.5","","Hamblin, Jacqueline; Argent, Stephen P.; Blake, Alexander J.; Wilson, Claire; Champness, Neil R.","Hydrogen-bonding tectons for the construction of bimolecular framework materials","CrystEngComm","2008","10","12","1782","","10.1039/b811462e","","","0.71073","MoKα","","0.0891","0.0421","","","0.0823","0.0948","","","","","","0.866","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202394","11.9327","0.0012","13.0281","0.0013","15.8112","0.0015","85.17","0.002","74.302","0.002","65.333","0.002","2149.2","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H54 N6 O8 S2 -","- C43 H54 N6 O8 S2 -","- C86 H108 N12 O16 S4 -","2","1","","Hamblin, Jacqueline; Argent, Stephen P.; Blake, Alexander J.; Wilson, Claire; Champness, Neil R.","Hydrogen-bonding tectons for the construction of bimolecular framework materials","CrystEngComm","2008","10","12","1782","","10.1039/b811462e","","","0.71073","MoKα","","0.0633","0.0436","","","0.12","0.131","","","","","","1.07","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202395","22.41","0.02","8.27","0.007","23.68","0.02","90","","110.17","0.02","90","","4119","6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H40 N12 O12 S4 -","- C33 H40 N12 O12 S4 -","- C132 H160 N48 O48 S16 -","4","0.5","","Hamblin, Jacqueline; Argent, Stephen P.; Blake, Alexander J.; Wilson, Claire; Champness, Neil R.","Hydrogen-bonding tectons for the construction of bimolecular framework materials","CrystEngComm","2008","10","12","1782","","10.1039/b811462e","","","0.71073","MoKα","","0.0803","0.0606","","","0.152","0.164","","","","","","1.04","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202396","7.578","0.001","10.715","0.0014","12.6216","0.0016","65.973","0.002","77.839","0.002","81.588","0.002","912.9","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H42 N16 O6 S2 -","- C28 H42 N16 O6 S2 -","- C28 H42 N16 O6 S2 -","1","0.5","","Hamblin, Jacqueline; Argent, Stephen P.; Blake, Alexander J.; Wilson, Claire; Champness, Neil R.","Hydrogen-bonding tectons for the construction of bimolecular framework materials","CrystEngComm","2008","10","12","1782","","10.1039/b811462e","","","0.71073","MoKα","","0.0601","0.0426","","","0.1138","0.1228","","","","","","0.983","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202397","28.635","0.003","11.1436","0.0012","17.0423","0.0018","90","","90","","90","","5438.1","1","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C28 H22.55 N4 O6.255 S Zn -","- C28 H22 N4 O6.255 S Zn -","- C224 H176 N32 O50.04 S8 Zn8 -","8","2","","Liu, Guang-Xiang; Zhu, Kun; Chen, Hong; Huang, Rong-Yi; Ren, Xiao-Ming","Two zinc(II) supramolecular isomers of square grid networks formed by two flexible ligands: syntheses, structures and nonlinear optical properties","CrystEngComm","2008","10","11","1527","","10.1039/b811498f","","","0.71073","MoKα","","0.0881","0.0504","","","0.0936","0.1044","","","","","","1.007","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202398","8.7404","0.0008","11.3039","0.001","27.252","0.003","90","","90","","90","","2692.5","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 N4 O6 S Zn -","- C28 H22 N4 O6 S Zn -","- C112 H88 N16 O24 S4 Zn4 -","4","1","","Liu, Guang-Xiang; Zhu, Kun; Chen, Hong; Huang, Rong-Yi; Ren, Xiao-Ming","Two zinc(II) supramolecular isomers of square grid networks formed by two flexible ligands: syntheses, structures and nonlinear optical properties","CrystEngComm","2008","10","11","1527","","10.1039/b811498f","","","0.71073","MoKα","","0.0376","0.0306","","","0.0638","0.066","","","","","","1.007","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202400","16.67","0.003","9.467","0.002","10.305","0.002","90","","90","","90","","1626.3","0.6","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C14 H11 N2 Nd O8 -","- C14 H11 N2 Nd O8 -","- C56 H44 N8 Nd4 O32 -","4","0.5","","Liu, Cai-Ming; Zuo, Jing-Lin; Zhang, De-Qing; Zhu, Dao-Ben","Carboxylic acid-dependent assembly of neodymium‒organic frameworks with attractive topologies and second-order nonlinear optical and/or magnetic properties","CrystEngComm","2008","10","11","1674","","10.1039/b811524a","","","0.71073","MoKα","","0.0275","0.0256","","","0.0685","0.0707","","","","","","1.159","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202401","16.39","0.003","10.085","0.002","10.35","0.002","90","","90","","90","","1710.8","0.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C15 H13 N2 Nd O8 -","- C15 H13 N2 Nd O8 -","- C60 H52 N8 Nd4 O32 -","4","0.5","","Liu, Cai-Ming; Zuo, Jing-Lin; Zhang, De-Qing; Zhu, Dao-Ben","Carboxylic acid-dependent assembly of neodymium‒organic frameworks with attractive topologies and second-order nonlinear optical and/or magnetic properties","CrystEngComm","2008","10","11","1674","","10.1039/b811524a","","","0.71073","MoKα","","0.0307","0.0236","","","0.0552","0.0586","","","","","","1.064","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202402","9.18","0.002","10.517","0.002","13.026","0.003","66.45","0.03","85.96","0.03","78.7","0.03","1130.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 N3 Nd O13 -","- C18 H20 N3 Nd O13 -","- C36 H40 N6 Nd2 O26 -","2","1","","Liu, Cai-Ming; Zuo, Jing-Lin; Zhang, De-Qing; Zhu, Dao-Ben","Carboxylic acid-dependent assembly of neodymium‒organic frameworks with attractive topologies and second-order nonlinear optical and/or magnetic properties","CrystEngComm","2008","10","11","1674","","10.1039/b811524a","","","0.71073","MoKα","","0.0192","0.0185","","","0.0481","0.0486","","","","","","1.048","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202403","16.652","0.003","9.474","0.002","10.332","0.002","90","","90","","90","","1630","0.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H11 N2 Nd O8 -","- C14 H11 N2 Nd O8 -","- C56 H44 N8 Nd4 O32 -","4","0.5","","Liu, Cai-Ming; Zuo, Jing-Lin; Zhang, De-Qing; Zhu, Dao-Ben","Carboxylic acid-dependent assembly of neodymium‒organic frameworks with attractive topologies and second-order nonlinear optical and/or magnetic properties","CrystEngComm","2008","10","11","1674","","10.1039/b811524a","","","0.71073","MoKα","","0.02","0.0185","","","0.0479","0.0487","","","","","","1.107","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202404","14.689","0.003","10.544","0.002","8.6613","0.0017","90","","91.03","0.03","90","","1341.3","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(benzylammonium)(m-iodobenzoate)","(benzylammonium)(m-iodobenzoate)","","- C14 H14 I N O2 -","- C14 H14 I N O2 -","- C56 H56 I4 N4 O8 -","4","1","","Lemmerer, Andreas; Bourne, Susan A.; Fernandes, Manuel A.","Disruption of a robust supramolecular heterosynthon in achiral benzylammonium and (pyridylmethyl)ammonium m-iodobenzoate salts","CrystEngComm","2008","10","12","1750","","10.1039/b811789f","","","0.71073","MoKα","","0.0448","0.0354","","","0.0879","0.0948","","","","","","1.087","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202405","16.4778","0.0007","6.0706","0.0002","14.3327","0.0005","90","","108.452","0.002","90","","1359.99","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","((2-pyridylmethyl)ammonium) (m-iodobenzoate)","((2-pyridylmethyl)ammonium) (m-iodobenzoate)","","- C13 H13 I N2 O2 -","- C13 H13 I N2 O2 -","- C52 H52 I4 N8 O8 -","4","1","","Lemmerer, Andreas; Bourne, Susan A.; Fernandes, Manuel A.","Disruption of a robust supramolecular heterosynthon in achiral benzylammonium and (pyridylmethyl)ammonium m-iodobenzoate salts","CrystEngComm","2008","10","12","1750","","10.1039/b811789f","","","0.71073","MoKα","","0.0253","0.0207","","","0.0465","0.0489","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202406","12.451","0.003","6.1494","0.0012","17.582","0.004","90","","96.47","0.03","90","","1337.6","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","((3-pyridylmethyl)ammonium)(m-iodobenzoate)","((3-pyridylmethyl)ammonium)(m-iodobenzoate)","","- C13 H13 I N2 O2 -","- C13 H13 I N2 O2 -","- C52 H52 I4 N8 O8 -","4","1","","Lemmerer, Andreas; Bourne, Susan A.; Fernandes, Manuel A.","Disruption of a robust supramolecular heterosynthon in achiral benzylammonium and (pyridylmethyl)ammonium m-iodobenzoate salts","CrystEngComm","2008","10","12","1750","","10.1039/b811789f","","","0.71073","MoKα","","0.0201","0.0176","","","0.0437","0.0453","","","","","","1.093","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202407","6.5652","0.0001","17.7228","0.0004","11.8193","0.0002","90","","91.01","0.001","90","","1375.01","0.04","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","((4-pyridylamethyl)ammonium)(m-iodobenzoate)","((4-pyridylamethyl)ammonium)(m-iodobenzoate)","","- C13 H13 I N2 O2 -","- C13 H13 I N2 O2 -","- C52 H52 I4 N8 O8 -","4","2","","Lemmerer, Andreas; Bourne, Susan A.; Fernandes, Manuel A.","Disruption of a robust supramolecular heterosynthon in achiral benzylammonium and (pyridylmethyl)ammonium m-iodobenzoate salts","CrystEngComm","2008","10","12","1750","","10.1039/b811789f","","","0.71073","MoKα","","0.0228","0.0219","","","0.0519","0.0523","","","","","","1.015","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202408","34.329","0.007","6.2971","0.0013","21.548","0.004","90","","114.77","0.03","90","","4229.5","1.8","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(m-iodobenzoic)(((4-pyridylamethl)ammonium)(m-iodobenzoate)","(m-iodobenzoic)(((4-pyridylamethl)ammonium)(m-iodobenzoate)","","- C20 H18 I2 N2 O4 -","- C20 H18 I2 N2 O4 -","- C160 H144 I16 N16 O32 -","8","1","","Lemmerer, Andreas; Bourne, Susan A.; Fernandes, Manuel A.","Disruption of a robust supramolecular heterosynthon in achiral benzylammonium and (pyridylmethyl)ammonium m-iodobenzoate salts","CrystEngComm","2008","10","12","1750","","10.1039/b811789f","","","0.71073","MoKα","","0.0371","0.0285","","","0.0673","0.0717","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202409","4.2616","0.0009","29.232","0.006","17.734","0.004","90","","90.86","0.004","90","","2209","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis[N-(3-pyridyl)acetamide], 1,4-diiodotetrafluorobenzene","","- C20 H16 F4 I2 N4 O2 -","- C20 H16 F4 I2 N4 O2 -","- C80 H64 F16 I8 N16 O8 -","4","1","","Aakeröy, Christer B.; Desper, John; Fasulo, Meg; Hussain, Izhar; Levin, Brock; Schultheiss, Nate","Ten years of co-crystal synthesis; the good, the bad, and the ugly","CrystEngComm","2008","10","12","1816","","10.1039/b811809d","","","0.71073","MoKα","","0.0651","0.0578","","","0.1255","0.1303","","","","","","1.15","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202410","4.845","0.002","9.716","0.004","13.075","0.006","104.096","0.006","98.36","0.006","91.246","0.006","589.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","bis{N-[(3-pyridyl)methyl]acetamide}, 1,4-diiodotetrafluorobenzene","","- C22 H20 F4 I2 N4 O2 -","- C22 H20 F4 I2 N4 O2 -","- C22 H20 F4 I2 N4 O2 -","1","0.5","","Aakeröy, Christer B.; Desper, John; Fasulo, Meg; Hussain, Izhar; Levin, Brock; Schultheiss, Nate","Ten years of co-crystal synthesis; the good, the bad, and the ugly","CrystEngComm","2008","10","12","1816","","10.1039/b811809d","","","0.71073","MoKα","","0.0649","0.0535","","","0.1245","0.1301","","","","","","1.111","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202411","7.1917","0.0005","24.644","0.002","8.7269","0.0007","90","","100.535","0.005","90","","1520.6","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(pyrazol-3-yl)pyridine, 1,4-diiodotetrafluorobenzene","","- C14 H7 F4 I2 N3 -","- C14 H7 F4 I2 N3 -","- C56 H28 F16 I8 N12 -","4","1","","Aakeröy, Christer B.; Desper, John; Fasulo, Meg; Hussain, Izhar; Levin, Brock; Schultheiss, Nate","Ten years of co-crystal synthesis; the good, the bad, and the ugly","CrystEngComm","2008","10","12","1816","","10.1039/b811809d","","","0.71073","MoKα","","0.0623","0.0558","","","0.1353","0.1415","","","","","","1.07","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202412","9.0808","0.0007","16.3144","0.0012","13.6934","0.0009","90","","91.057","0.004","90","","2028.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(4-pyridyl)benzimidazole, 1,4-diiodotetrafluorobenzene, methanol","","- C19 H13 F4 I2 N3 O -","- C19 H13 F4 I2 N3 O -","- C76 H52 F16 I8 N12 O4 -","4","1","","Aakeröy, Christer B.; Desper, John; Fasulo, Meg; Hussain, Izhar; Levin, Brock; Schultheiss, Nate","Ten years of co-crystal synthesis; the good, the bad, and the ugly","CrystEngComm","2008","10","12","1816","","10.1039/b811809d","","","0.71073","MoKα","","0.0671","0.0423","","","0.1091","0.129","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202413","7.6881","0.0004","14.8996","0.0008","15.3296","0.0008","72.16","0.001","88.364","0.001","88.508","0.001","1670.61","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[(5-OMe-3-pyridyl)(3-pyridyl)ethyne]4, [1,4-I2-F4-benzene]4","","- C70 H40 F12 I6 N8 O4 -","- C70 H40 F12 I6 N8 O4 -","- C70 H40 F12 I6 N8 O4 -","1","0.5","","Aakeröy, Christer B.; Desper, John; Fasulo, Meg; Hussain, Izhar; Levin, Brock; Schultheiss, Nate","Ten years of co-crystal synthesis; the good, the bad, and the ugly","CrystEngComm","2008","10","12","1816","","10.1039/b811809d","","","0.71073","MoKα","","0.0373","0.0315","","","0.0733","0.0763","","","","","","1.006","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202414","7.2012","0.0007","17.6878","0.0015","17.7138","0.0016","89.927","0.004","82.869","0.007","88.275","0.006","2237.8","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","(5-methoxy-3,3'-bipyridyl)2, (1,4-diiodotetrafluorobenzene)3","","- C40 H20 F12 I6 N4 O2 -","- C40 H20 F12 I6 N4 O2 -","- C80 H40 F24 I12 N8 O4 -","2","1","","Aakeröy, Christer B.; Desper, John; Fasulo, Meg; Hussain, Izhar; Levin, Brock; Schultheiss, Nate","Ten years of co-crystal synthesis; the good, the bad, and the ugly","CrystEngComm","2008","10","12","1816","","10.1039/b811809d","","","0.71073","MoKα","","0.1346","0.065","","","0.1588","0.1989","","","","","","1.008","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202415","30.345","0.002","4.1878","0.0003","16.6946","0.0012","90","","90","","90","","2121.5","0.3","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","(pyridine-3,5-COOH) (2-AcNH-pyr)2, (1,4-I2-F4-benzene)2","","- C33 H21 F8 I4 N5 O6 -","- C33 H21 F8 I4 N5 O6 -","- C66 H42 F16 I8 N10 O12 -","2","0.5","","Aakeröy, Christer B.; Desper, John; Fasulo, Meg; Hussain, Izhar; Levin, Brock; Schultheiss, Nate","Ten years of co-crystal synthesis; the good, the bad, and the ugly","CrystEngComm","2008","10","12","1816","","10.1039/b811809d","","","0.71073","MoKα","","0.0845","0.0427","","","0.1067","0.1235","","","","","","1.013","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202416","6.7735","0.0005","9.3861","0.0007","16.9365","0.0013","90","","92.569","0.001","90","","1075.69","0.14","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C16 H16 N2 Nd2 O18 -","- C16 H16 N2 Nd2 O18 -","- C32 H32 N4 Nd4 O36 -","2","1","","Li, Cui-Jin; Peng, Meng-Xia; Leng, Ji-Dong; Yang, Ming-Mei; Lin, Zhuojia; Tong, Ming-Liang","Synthesis, structure, photoluminescence and magnetic properties of new 3-D lanthanide-pyridine-2,4,6-tricarboxylate frameworks","CrystEngComm","2008","10","11","1645","","10.1039/b811883n","","","0.71073","MoKα","","0.0273","0.0262","","","0.0555","0.0564","","","","","","1.025","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202417","22.3162","0.0011","9.3759","0.0005","22.4546","0.0012","90","","103.061","0.001","90","","4576.7","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H15 N2 O17.5 Sm2 -","- C16 H10 N2 O17.5 Sm2 -","- C128 H80 N16 O140 Sm16 -","8","1","","Li, Cui-Jin; Peng, Meng-Xia; Leng, Ji-Dong; Yang, Ming-Mei; Lin, Zhuojia; Tong, Ming-Liang","Synthesis, structure, photoluminescence and magnetic properties of new 3-D lanthanide-pyridine-2,4,6-tricarboxylate frameworks","CrystEngComm","2008","10","11","1645","","10.1039/b811883n","","","0.71073","MoKα","","0.0288","0.0269","","","0.0609","0.0618","","","","","","1.108","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202418","22.2466","0.0018","9.3529","0.0007","22.4043","0.0018","90","","103.067","0.001","90","","4541","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H15 Eu2 N2 O17.5 -","- C16 H10 Eu2 N2 O17.5 -","- C128 H80 Eu16 N16 O140 -","8","1","","Li, Cui-Jin; Peng, Meng-Xia; Leng, Ji-Dong; Yang, Ming-Mei; Lin, Zhuojia; Tong, Ming-Liang","Synthesis, structure, photoluminescence and magnetic properties of new 3-D lanthanide-pyridine-2,4,6-tricarboxylate frameworks","CrystEngComm","2008","10","11","1645","","10.1039/b811883n","","","0.71073","MoKα","","0.0467","0.0379","","","0.0814","0.0845","","","","","","1.069","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202419","22.2267","0.0016","9.3424","0.0007","22.3427","0.0016","90","","103.138","0.001","90","","4518","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H15 Gd2 N2 O17.5 -","- C16 H10 Gd2 N2 O17.5 -","- C128 H80 Gd16 N16 O140 -","8","1","","Li, Cui-Jin; Peng, Meng-Xia; Leng, Ji-Dong; Yang, Ming-Mei; Lin, Zhuojia; Tong, Ming-Liang","Synthesis, structure, photoluminescence and magnetic properties of new 3-D lanthanide-pyridine-2,4,6-tricarboxylate frameworks","CrystEngComm","2008","10","11","1645","","10.1039/b811883n","","","0.71073","MoKα","","0.0518","0.042","","","0.0825","0.0857","","","","","","1.112","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202420","21.757","0.003","9.1657","0.0013","22.457","0.003","90","","100.886","0.003","90","","4397.7","1.1","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H13 N2 O16.5 Tb2 -","- C16 H8 N2 O16.5 Tb2 -","- C128 H64 N16 O132 Tb16 -","8","1","","Li, Cui-Jin; Peng, Meng-Xia; Leng, Ji-Dong; Yang, Ming-Mei; Lin, Zhuojia; Tong, Ming-Liang","Synthesis, structure, photoluminescence and magnetic properties of new 3-D lanthanide-pyridine-2,4,6-tricarboxylate frameworks","CrystEngComm","2008","10","11","1645","","10.1039/b811883n","","","0.71073","MoKα","","0.0416","0.0365","","","0.0819","0.0846","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202421","21.7769","0.0015","9.2174","0.0006","22.3883","0.0015","90","","101.353","0.002","90","","4406","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Dy2 N2 O16 -","- C16 H8 Dy2 N2 O16 -","- C128 H64 Dy16 N16 O128 -","8","1","","Li, Cui-Jin; Peng, Meng-Xia; Leng, Ji-Dong; Yang, Ming-Mei; Lin, Zhuojia; Tong, Ming-Liang","Synthesis, structure, photoluminescence and magnetic properties of new 3-D lanthanide-pyridine-2,4,6-tricarboxylate frameworks","CrystEngComm","2008","10","11","1645","","10.1039/b811883n","","","0.71073","MoKα","","0.0321","0.028","","","0.065","0.0672","","","","","","1.053","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202422","21.721","0.008","9.202","0.004","22.347","0.009","90","","101.243","0.006","90","","4381","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Ho2 N2 O16 -","- C16 H8 Ho2 N2 O16 -","- C128 H64 Ho16 N16 O128 -","8","1","","Li, Cui-Jin; Peng, Meng-Xia; Leng, Ji-Dong; Yang, Ming-Mei; Lin, Zhuojia; Tong, Ming-Liang","Synthesis, structure, photoluminescence and magnetic properties of new 3-D lanthanide-pyridine-2,4,6-tricarboxylate frameworks","CrystEngComm","2008","10","11","1645","","10.1039/b811883n","","","0.71073","MoKα","","0.0282","0.0247","","","0.0549","0.0564","","","","","","1.058","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202423","10.265","0.001","18.651","0.001","18.217","0.001","78.708","0.005","81.334","0.005","75.924","0.005","3298","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Bis((N,N-dimethylbenzylamine-kappaN,kappaC)palladium(ii))(mu- acetato-kappaO:kappaO') (mu-benzophenone iminato-kappaN:kappaN) . !0.25toluene","Bis{(N,N-dimethylbenzylamine-κN,κC)palladium(II)}(μ-acetato-κO:κO') (μ-benzophenone iminato-κN:κN) . ~0.25toluene","","- C69.5 H74 N6 O4 Pd4 -","- C69.5 H74 N6 O4 Pd4 -","- C139 H148 N12 O8 Pd8 -","2","1","","Ruiz, José; Rodríguez, Venancio; Cutillas, Natalia; Hoffmann, Anke; Chamayou, Anne-Christine; Kazmierczak, Karolina; Janiak, Christoph","Structure‒solid-state CPMAS 13C NMR correlation in palladacycle solvates (pseudo-polymorphs) with a transformation from Z′ = 1 to Z′ = 2","CrystEngComm","2008","10","12","1928","","10.1039/b812012a","","","0.71073","MoKα","","0.0388","0.0272","","","0.0599","0.0619","","","","","","1.009","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202424","9.3712","0.0005","11.2535","0.0007","18.6983","0.0011","83.304","0.003","84.253","0.003","78.682","0.003","1914.31","0.19","203","2","203","2","","","","","","","","5","P -1","-P 1","2","Bis((N,N-dimethylbenzylamine-kappaN,kappaC)palladium(ii))(mu- acetato-kappaO:kappaO') (mu-benzophenone iminato-kappaN:kappaN) . 1.5benzene","Bis{(N,N-dimethylbenzylamine-κN,κC)palladium(II)}(μ-acetato-κO:κO') (μ-benzophenone iminato-κN:κN) . 1.5benzene","","- C42 H46 N3 O2 Pd2 -","- C42 H46 N3 O2 Pd2 -","- C84 H92 N6 O4 Pd4 -","2","1","","Ruiz, José; Rodríguez, Venancio; Cutillas, Natalia; Hoffmann, Anke; Chamayou, Anne-Christine; Kazmierczak, Karolina; Janiak, Christoph","Structure‒solid-state CPMAS 13C NMR correlation in palladacycle solvates (pseudo-polymorphs) with a transformation from Z′ = 1 to Z′ = 2","CrystEngComm","2008","10","12","1928","","10.1039/b812012a","","","0.71073","MoKα","","0.0309","0.0231","","","0.0519","0.0548","","","","","","1.034","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202425","9.5075","0.0005","11.3472","0.0006","18.5747","0.001","82.742","0.001","83.107","0.001","75.987","0.001","1920.35","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Bis((N,N-dimethylbenzylamine-kappaN,kappaC)palladium(ii))(mu- acetato-kappaO:kappaO') (mu-benzophenone iminato-kappaN:kappaN) . 1.5toluene","Bis{(N,N-dimethylbenzylamine-κN,κC)palladium(II)}(μ-acetato-κO:κO') (μ-benzophenone iminato-κN:κN) . 1.5toluene","","- C43.5 H49 N3 O2 Pd2 -","- C43.5 H49 N3 O2 Pd2 -","- C87 H98 N6 O4 Pd4 -","2","1","","Ruiz, José; Rodríguez, Venancio; Cutillas, Natalia; Hoffmann, Anke; Chamayou, Anne-Christine; Kazmierczak, Karolina; Janiak, Christoph","Structure‒solid-state CPMAS 13C NMR correlation in palladacycle solvates (pseudo-polymorphs) with a transformation from Z′ = 1 to Z′ = 2","CrystEngComm","2008","10","12","1928","","10.1039/b812012a","","","0.71073","MoKα","","0.0365","0.0324","","","0.0746","0.0766","","","","","","1.086","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202426","14.2859","0.0006","28.3485","0.0012","9.2862","0.0004","90","","103.894","0.001","90","","3650.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[{(dmba)Pd}2(m-OAc)(m-N=CPh2)].1(n-hexane)","[μ-Acetato-μ-benzophenone iminato- bis{N,N-dimethylbenzylamine-κN,κC-palladium(II)}] 1(n-hexane)","","- C39 H51 N3 O2 Pd2 -","- C39 H51 N3 O2 Pd2 -","- C156 H204 N12 O8 Pd8 -","4","1","","Ruiz, José; Rodríguez, Venancio; Cutillas, Natalia; Hoffmann, Anke; Chamayou, Anne-Christine; Kazmierczak, Karolina; Janiak, Christoph","Structure‒solid-state CPMAS 13C NMR correlation in palladacycle solvates (pseudo-polymorphs) with a transformation from Z′ = 1 to Z′ = 2","CrystEngComm","2008","10","12","1928","","10.1039/b812012a","","","0.71073","MoKα","","0.0312","0.0296","","","0.0717","0.0725","","","","","","1.135","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202427","14.612","0.006","9.577","0.0016","4.5572","0.0007","90","","90","","90","","637.7","0.3","110","","110","","","","","","","","","5","P 21 21 2","P 2 2ab","18","mBrMePU","1-(m-bromophenyl)-3-(m-tolyl) urea","","- C28 H23 Br2 N4 O2 -","- C28 H23 Br2 N4 O2 -","- C28 H23 Br2 N4 O2 -","1","0.25","","Capacci-Daniel, Christina; Dehghan, Shoaleh; Wurster, Victoria M.; Basile, Joseph A.; Hiremath, Rupa; Sarjeant, Amy A.; Swift, Jennifer A.","Halogen/methyl exchange in a series of isostructural 1,3-bis(m-dihalophenyl)ureas","CrystEngComm","2008","10","12","1875","","10.1039/b812138a","","x-ray","0.71073","MoKα","","0.06","0.0543","","","0.121","0.1228","","","","","","1.22","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202428","9.546","0.0011","14.7549","0.0015","4.5585","0.0007","90","","90","","90","","642.07","0.14","110","","110","","","","","","","","","5","P 21 21 2","P 2 2ab","18","mBrPU","1,3-bis(m-bromophenyl) urea","","- C13 H10 Br2 N2 O -","- C13 H10 Br2 N2 O -","- C26 H20 Br4 N4 O2 -","2","0.5","","Capacci-Daniel, Christina; Dehghan, Shoaleh; Wurster, Victoria M.; Basile, Joseph A.; Hiremath, Rupa; Sarjeant, Amy A.; Swift, Jennifer A.","Halogen/methyl exchange in a series of isostructural 1,3-bis(m-dihalophenyl)ureas","CrystEngComm","2008","10","12","1875","","10.1039/b812138a","","x-ray","0.71073","MoKα","","0.038","0.0362","","","0.0676","0.0686","","","","","","1.041","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202429","9.5777","0.0005","14.3646","0.0007","4.5596","0.0002","90","","90","","90","","627.31","0.05","110","","110","","","","","","","","","5","P 21 21 2","P 2 2ab","18","1-(m-chlorophenyl)-3-(m-tolyl) urea","1-(m-chlorophenyl)-3-(m-tolyl) urea","","- C14 H13 Cl N2 O -","- C14 H13 Cl N2 O -","- C28 H26 Cl2 N4 O2 -","2","0.5","","Capacci-Daniel, Christina; Dehghan, Shoaleh; Wurster, Victoria M.; Basile, Joseph A.; Hiremath, Rupa; Sarjeant, Amy A.; Swift, Jennifer A.","Halogen/methyl exchange in a series of isostructural 1,3-bis(m-dihalophenyl)ureas","CrystEngComm","2008","10","12","1875","","10.1039/b812138a","","x-ray","0.71073","MoKα","","0.0492","0.041","","","0.0983","0.1026","","","","","","1.118","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202430","9.588","0.0008","14.3214","0.0011","4.5653","0.0004","90","","90","","90","","626.88","0.09","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","mClPU","1,3-bis(m-chlorophenyl)urea","","- C13 H10 Cl2 N2 O -","- C13 H10 Cl2 N2 O -","- C26 H20 Cl4 N4 O2 -","2","0.5","","Capacci-Daniel, Christina; Dehghan, Shoaleh; Wurster, Victoria M.; Basile, Joseph A.; Hiremath, Rupa; Sarjeant, Amy A.; Swift, Jennifer A.","Halogen/methyl exchange in a series of isostructural 1,3-bis(m-dihalophenyl)ureas","CrystEngComm","2008","10","12","1875","","10.1039/b812138a","","","0.71073","MoKα","","0.0277","0.0263","","","0.0707","0.0715","","","","","","1.05","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202431","9.6345","0.0011","15.3998","0.0014","4.5673","0.0008","90","","90","","90","","677.65","0.15","110","","110","","","","","","","","","5","P 21 21 2","P 2 2ab","18","mIPU","1,3-bis(m-iodophenyl) urea","","- C13 H10 I2 N2 O -","- C13 H10 I2 N2 O -","- C26 H20 I4 N4 O2 -","2","0.5","","Capacci-Daniel, Christina; Dehghan, Shoaleh; Wurster, Victoria M.; Basile, Joseph A.; Hiremath, Rupa; Sarjeant, Amy A.; Swift, Jennifer A.","Halogen/methyl exchange in a series of isostructural 1,3-bis(m-dihalophenyl)ureas","CrystEngComm","2008","10","12","1875","","10.1039/b812138a","","x-ray","0.71073","MoKα","","0.021","0.0201","","","0.0413","0.0417","","","","","","1.073","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202432","9.595","0.0016","14.521","0.002","4.5902","0.001","90","","90","","90","","639.5","0.2","110","","110","","","","","","","","","4","P 21 21 2","P 2 2ab","18","mMePU","1,3-bis(tolyl) urea","","- C15 H16 N2 O -","- C15 H16 N2 O -","- C30 H32 N4 O2 -","2","0.5","","Capacci-Daniel, Christina; Dehghan, Shoaleh; Wurster, Victoria M.; Basile, Joseph A.; Hiremath, Rupa; Sarjeant, Amy A.; Swift, Jennifer A.","Halogen/methyl exchange in a series of isostructural 1,3-bis(m-dihalophenyl)ureas","CrystEngComm","2008","10","12","1875","","10.1039/b812138a","","x-ray","0.71073","MoKα","","0.0596","0.058","","","0.1132","0.114","","","","","","1.213","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202433","9.577","0.0016","14.612","0.006","4.5572","0.0007","90","","90","","90","","637.7","0.3","110","","110","","","","","","","","","5","P 21 21 2","P 2 2ab","18","mBrMePU","1-(m-bromophenyl)-3-(m-tolyl) urea","","- C14 H13 Br N2 O -","- C14 H13 Br N2 O -","- C28 H26 Br2 N4 O2 -","2","0.5","","Capacci-Daniel, Christina; Dehghan, Shoaleh; Wurster, Victoria M.; Basile, Joseph A.; Hiremath, Rupa; Sarjeant, Amy A.; Swift, Jennifer A.","Halogen/methyl exchange in a series of isostructural 1,3-bis(m-dihalophenyl)ureas","CrystEngComm","2008","10","12","1875","","10.1039/b812138a","","x-ray","0.71073","MoKα","","0.0599","0.0543","","","0.1205","0.1222","","","","","","1.217","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202434","7.346","0.005","29.04","0.02","7.46","0.006","90","","90","","90","","1591","2","299","2","299","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H14 Cd Cl4 N2 -","- C13 H14 Cd Cl4 N2 -","- C52 H56 Cd4 Cl16 N8 -","4","0.5","","Costin-Hogan, Christina E.; Chen, Chun-Long; Hughes, Emma; Pickett, Austin; Valencia, Richard; Rath, Nigam P.; Beatty, Alicia M.","“Reverse” engineering: Toward 0-D cadmium halide clusters","CrystEngComm","2008","10","12","1910","","10.1039/b812504j","","","0.71073","MoKα","","0.0531","0.0415","","","0.1057","0.1137","","","","","","1.117","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202435","19.275","0.003","7.3987","0.0011","24.409","0.004","90","","90","","90","","3481","0.9","297","2","297","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H16 Cd1.5 Cl5 N2 -","- C12 H16 Cd1.5 Cl5 N2 -","- C96 H128 Cd12 Cl40 N16 -","8","1","","Costin-Hogan, Christina E.; Chen, Chun-Long; Hughes, Emma; Pickett, Austin; Valencia, Richard; Rath, Nigam P.; Beatty, Alicia M.","“Reverse” engineering: Toward 0-D cadmium halide clusters","CrystEngComm","2008","10","12","1910","","10.1039/b812504j","","","0.71073","MoKα","","0.0317","0.0217","","","0.0493","0.0547","","","","","","1.102","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202436","14.4881","0.0018","4.3172","0.0005","14.5404","0.0017","90","","110.928","0.006","90","","849.48","0.18","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C16 H22 Br2 Cd N2 -","- C16 H22 Br2 Cd N2 -","- C32 H44 Br4 Cd2 N4 -","2","0.5","","Costin-Hogan, Christina E.; Chen, Chun-Long; Hughes, Emma; Pickett, Austin; Valencia, Richard; Rath, Nigam P.; Beatty, Alicia M.","“Reverse” engineering: Toward 0-D cadmium halide clusters","CrystEngComm","2008","10","12","1910","","10.1039/b812504j","","","0.71073","MoKα","","0.0328","0.0225","","","0.0399","0.042","","","","","","1.029","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202437","25.107","0.003","5.0103","0.0004","13.4757","0.0013","90","","115.739","0.004","90","","1527","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 Cd I2 N2 -","- C12 H14 Cd I2 N2 -","- C48 H56 Cd4 I8 N8 -","4","0.5","","Costin-Hogan, Christina E.; Chen, Chun-Long; Hughes, Emma; Pickett, Austin; Valencia, Richard; Rath, Nigam P.; Beatty, Alicia M.","“Reverse” engineering: Toward 0-D cadmium halide clusters","CrystEngComm","2008","10","12","1910","","10.1039/b812504j","","","0.71073","MoKα","","0.0193","0.0155","","","0.0286","0.0294","","","","","","1.086","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202438","26.262","0.003","4.8965","0.0005","14.2847","0.0014","90","","115.52","0.005","90","","1657.7","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Cd I2 N2 -","- C14 H18 Cd I2 N2 -","- C56 H72 Cd4 I8 N8 -","4","0.5","","Costin-Hogan, Christina E.; Chen, Chun-Long; Hughes, Emma; Pickett, Austin; Valencia, Richard; Rath, Nigam P.; Beatty, Alicia M.","“Reverse” engineering: Toward 0-D cadmium halide clusters","CrystEngComm","2008","10","12","1910","","10.1039/b812504j","","","0.71073","MoKα","","0.0579","0.0468","","","0.1082","0.1135","","","","","","1.006","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202439","17.105","0.002","4.4783","0.0006","19.149","0.003","90","","99.488","0.007","90","","1446.8","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cd I2 N2 -","- C12 H12 Cd I2 N2 -","- C48 H48 Cd4 I8 N8 -","4","0.5","","Costin-Hogan, Christina E.; Chen, Chun-Long; Hughes, Emma; Pickett, Austin; Valencia, Richard; Rath, Nigam P.; Beatty, Alicia M.","“Reverse” engineering: Toward 0-D cadmium halide clusters","CrystEngComm","2008","10","12","1910","","10.1039/b812504j","","","0.71073","MoKα","","0.0217","0.0172","","","0.0302","0.031","","","","","","1.087","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202440","7.589","0.002","23.193","0.007","14.019","0.004","90","","97.04","0.007","90","","2448.9","1.2","299","2","299","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 Cd3 Cl12 N6 O2 -","- C40 H44 Cd3 Cl12 N6 O2 -","- C80 H88 Cd6 Cl24 N12 O4 -","2","0.5","","Costin-Hogan, Christina E.; Chen, Chun-Long; Hughes, Emma; Pickett, Austin; Valencia, Richard; Rath, Nigam P.; Beatty, Alicia M.","“Reverse” engineering: Toward 0-D cadmium halide clusters","CrystEngComm","2008","10","12","1910","","10.1039/b812504j","","","0.71073","MoKα","","0.1264","0.0448","","","0.0829","0.1118","","","","","","0.969","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202441","7.2994","0.0015","7.4104","0.0015","30.527","0.006","90","","90","","90","","1651.3","0.6","299","2","299","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H14 Cd Cl4 N2 O -","- C12 H14 Cd Cl4 N2 O -","- C48 H56 Cd4 Cl16 N8 O4 -","4","0.5","","Costin-Hogan, Christina E.; Chen, Chun-Long; Hughes, Emma; Pickett, Austin; Valencia, Richard; Rath, Nigam P.; Beatty, Alicia M.","“Reverse” engineering: Toward 0-D cadmium halide clusters","CrystEngComm","2008","10","12","1910","","10.1039/b812504j","","","0.71073","MoKα","","0.0321","0.0283","","","0.0744","0.0773","","","","","","1.069","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202442","12.375","0.003","23.376","0.005","8.5893","0.0017","90","","104.46","0.03","90","","2406","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H27 Cd N5 O10 -","- C14 H18 Cd N4 O9 -","- C56 H72 Cd4 N16 O36 -","4","1","","Ghosh, Sujit K.; Kitagawa, Susumu","Solvent as structure directing agent for the synthesis of novel coordination frameworks using a tripodal flexible ligand","CrystEngComm","2008","10","12","1739","","10.1039/b812645c","","","0.71069","MoKα","","0.1144","0.0999","","","0.2861","0.3084","","","","","","1.077","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202443","17.64","0.002","13.38","0.003","21.46","0.004","90","","90","","90","","5065.1","1.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C39 H57 Cd3 N9 O21 -","- C34 H44 Cd3 N8 O20 -","- C136 H176 Cd12 N32 O80 -","4","1","","Ghosh, Sujit K.; Kitagawa, Susumu","Solvent as structure directing agent for the synthesis of novel coordination frameworks using a tripodal flexible ligand","CrystEngComm","2008","10","12","1739","","10.1039/b812645c","","","0.71073","MoKα","","0.0666","0.0606","","","0.1703","0.1758","","","","","","1.062","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202444","9.55","0.002","13.3","0.005","13.377","0.004","61.82","0.005","69.88","0.007","76.1","0.005","1400.1","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H36 Cd1.5 N3 O12 -","- C15 H19 Cd1.5 N3 O10 -","- C30 H38 Cd3 N6 O20 -","2","1","","Ghosh, Sujit K.; Kitagawa, Susumu","Solvent as structure directing agent for the synthesis of novel coordination frameworks using a tripodal flexible ligand","CrystEngComm","2008","10","12","1739","","10.1039/b812645c","","","0.71069","MoKα","","0.0866","0.0814","","","0.2548","0.2588","","","","","","1.163","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202445","14.3","0.003","13.041","0.003","18.23","0.004","90","","90","","90","","3399.6","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H8 Cd3 N4 O11 -","- C10 H8 Cd3 N4 O11 -","- C80 H64 Cd24 N32 O88 -","8","1","","Wang, Shuang; Zhang, Lirong; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Assembly of two 3-D metal‒organic frameworks from Cd(II) and 4,5-imidazoledicarboxylic acid or 2-ethyl-4,5-imidazoledicarboxylic acid","CrystEngComm","2008","10","11","1662","","10.1039/b812782b","","","0.71073","MoKα","","0.0471","0.0382","","","0.0776","0.0806","","","","","","1.094","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202446","16.0901","0.0015","16.0901","0.0015","6.7807","0.0009","90","","90","","90","","1755.5","0.3","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C7 H5 Cd K N2 O4 -","- C7 H5 Cd K N2 O4 -","- C56 H40 Cd8 K8 N16 O32 -","8","1","","Wang, Shuang; Zhang, Lirong; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Assembly of two 3-D metal‒organic frameworks from Cd(II) and 4,5-imidazoledicarboxylic acid or 2-ethyl-4,5-imidazoledicarboxylic acid","CrystEngComm","2008","10","11","1662","","10.1039/b812782b","","","0.71073","MoKα","","0.0453","0.0351","","","0.0647","0.0683","","","","","","0.977","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202447","11.6011","0.0011","9.653","0.0008","13.9669","0.0012","90","","90","","90","","1564.1","0.2","200","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","dipiperazinium tetrachloride monohydrate","dipiperazinium tetrachloride monohydrate","","- C4 H13 Cl2 N2 O0.5 -","- C4 H13 Cl2 N2 O0.5 -","- C32 H104 Cl16 N16 O4 -","8","1","","Baisch, Ulrich; Rubini, Katia; Braga, Dario","Remarkable structural similarities between organic co-crystals and a metal‒organic coordination network—insights into hydrogen bonded aliphatic ammonium chlorides","CrystEngComm","2008","10","12","1939","","10.1039/b812892h","","","0.7107","MoKα","","0.0859","0.0449","","","0.0844","0.092","","","","","","0.888","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7202448","10.1916","0.0003","6.3108","0.0002","13.4929","0.0004","90","","107.553","0.003","90","","827.42","0.05","296","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","piperazinium dichloride monohydrate","piperazinium dichloride monohydrate","","- C4 H14 Cl2 N2 O -","- C4 H14 Cl2 N2 O -","- C16 H56 Cl8 N8 O4 -","4","0.5","","Baisch, Ulrich; Rubini, Katia; Braga, Dario","Remarkable structural similarities between organic co-crystals and a metal‒organic coordination network—insights into hydrogen bonded aliphatic ammonium chlorides","CrystEngComm","2008","10","12","1939","","10.1039/b812892h","","","0.7107","MoKα","","0.0498","0.0296","","","0.0815","0.086","","","","","","1.085","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202449","5.2576","0.0001","14.8849","0.0003","6.3547","0.0001","90","","99.85","0.002","90","","489.981","0.016","296","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,4-diammonio-cyclohexane dichloride","1,4-diammonio-cyclohexane dichloride","","- C6 H16 Cl2 N2 -","- C6 H16 Cl2 N2 -","- C12 H32 Cl4 N4 -","2","0.5","","Baisch, Ulrich; Rubini, Katia; Braga, Dario","Remarkable structural similarities between organic co-crystals and a metal‒organic coordination network—insights into hydrogen bonded aliphatic ammonium chlorides","CrystEngComm","2008","10","12","1939","","10.1039/b812892h","","","0.7107","MoKα","","0.0373","0.0263","","","0.0723","0.0748","","","","","","1.1","","","","has coordinates","256201","2020-10-21","18:00:00",""
"7202450","5.863","0.0006","8.2478","0.0009","9.5959","0.0009","89.659","0.008","76.931","0.008","75.82","0.009","437.64","0.08","296","2","","","","","","","","","","6","P -1","-P 1","2","1,2-diammonio-cyclohexane dichloride mono-sulfoxide","1,2-diammonio-cyclohexane dichloride mono-sulfoxide","","- C10 H28 Cl2 N2 O2 S2 -","- C10 H28 Cl2 N2 O2 S2 -","- C10 H28 Cl2 N2 O2 S2 -","1","0.5","","Baisch, Ulrich; Rubini, Katia; Braga, Dario","Remarkable structural similarities between organic co-crystals and a metal‒organic coordination network—insights into hydrogen bonded aliphatic ammonium chlorides","CrystEngComm","2008","10","12","1939","","10.1039/b812892h","","","0.7107","MoKα","","0.0644","0.0341","","","0.0712","0.0776","","","","","","0.997","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202451","7.4694","0.0002","15.3118","0.0003","8.097","0.0002","90","","110.144","0.003","90","","869.41","0.04","296","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-ammonio-2-amine-cyclohexane chloride","1-ammonio-2-amine-cyclohexane chloride","","- C6 H15 Cl N2 -","- C6 H15 Cl N2 -","- C24 H60 Cl4 N8 -","4","1","","Baisch, Ulrich; Rubini, Katia; Braga, Dario","Remarkable structural similarities between organic co-crystals and a metal‒organic coordination network—insights into hydrogen bonded aliphatic ammonium chlorides","CrystEngComm","2008","10","12","1939","","10.1039/b812892h","","","0.7107","MoKα","","0.0562","0.0349","","","0.0835","0.0893","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202452","8.1243","0.0004","15.3477","0.0007","10.0546","0.0004","90","","104.037","0.001","90","","1216.26","0.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","Santra, Ramkinkar; Biradha, Kumar","Stepwise dimerization of double [2 + 2] reaction in the co-crystals of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one and phloroglucinol: a single-crystal to single-crystal transformation","CrystEngComm","2008","10","11","1524","","10.1039/b813721h","","","0.71073","MoKα","","0.0658","0.0441","","","0.1172","0.1266","","","","","","0.977","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202453","9.543","0.004","21.387","0.009","8.802","0.004","90","","94.868","0.013","90","","1790","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 O3 -","- C21 H18 N2 O3 -","- C84 H72 N8 O12 -","4","1","","Santra, Ramkinkar; Biradha, Kumar","Stepwise dimerization of double [2 + 2] reaction in the co-crystals of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one and phloroglucinol: a single-crystal to single-crystal transformation","CrystEngComm","2008","10","11","1524","","10.1039/b813721h","","","0.71073","MoKα","","0.0781","0.0427","","","0.1038","0.1155","","","","","","0.968","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202454","15.7801","0.0013","13.6092","0.0011","19.7644","0.0016","90","","91.767","0.003","90","","4242.5","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H21 N3 O4 -","- C23 H21 N3 O4 -","- C184 H168 N24 O32 -","8","1","","Santra, Ramkinkar; Biradha, Kumar","Stepwise dimerization of double [2 + 2] reaction in the co-crystals of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one and phloroglucinol: a single-crystal to single-crystal transformation","CrystEngComm","2008","10","11","1524","","10.1039/b813721h","","","0.71073","MoKα","","0.1225","0.055","","","0.1348","0.1556","","","","","","1.02","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202455","15.333","0.007","13.061","0.006","20.359","0.009","90","","90.412","0.016","90","","4077","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H42 N6 O8 -","- C46 H42 N6 O8 -","- C184 H168 N24 O32 -","4","0.5","","Santra, Ramkinkar; Biradha, Kumar","Stepwise dimerization of double [2 + 2] reaction in the co-crystals of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one and phloroglucinol: a single-crystal to single-crystal transformation","CrystEngComm","2008","10","11","1524","","10.1039/b813721h","","","0.71073","MoKα","","0.1779","0.0678","","","0.1573","0.1914","","","","","","0.942","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202456","15.415","0.003","13.17","0.003","20.423","0.004","90","","91.224","0.006","90","","4145.2","1.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H42 N6 O8 -","- C46 H42 N6 O8 -","- C184 H168 N24 O32 -","4","0.5","","Santra, Ramkinkar; Biradha, Kumar","Stepwise dimerization of double [2 + 2] reaction in the co-crystals of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one and phloroglucinol: a single-crystal to single-crystal transformation","CrystEngComm","2008","10","11","1524","","10.1039/b813721h","","","0.71073","MoKα","","0.1617","0.0697","","","0.1604","0.1878","","","","","","0.964","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202457","9.1425","0.0008","18.5623","0.0016","16.1103","0.0015","90","","102.989","0.003","90","","2664.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 N4 O4 -","- C30 H24 N4 O2 -","- C120 H96 N16 O8 -","4","1","","Santra, Ramkinkar; Biradha, Kumar","Stepwise dimerization of double [2 + 2] reaction in the co-crystals of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one and phloroglucinol: a single-crystal to single-crystal transformation","CrystEngComm","2008","10","11","1524","","10.1039/b813721h","","","0.71073","MoKα","","0.0835","0.0485","","","0.1625","0.2014","","","","","","0.71","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202458","16.7103","0.0016","17.1894","0.0016","18.881","0.003","101.334","0.007","101.137","0.007","116.285","0.005","4519.2","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C85 H85 Cl15 Co2 N8 -","- C85 H85 Cl15 Co2 N8 -","- C170 H170 Cl30 Co4 N16 -","2","1","","Ma, Li; Shin, Ji-Young; Patrick, Brian O.; Dolphin, David","Metal complexes of dipyrromethenes linked by rigid spacer arms","CrystEngComm","2008","10","11","1531","","10.1039/b814586e","","","0.71073","MoKα","","0.1331","0.0826","","","0.2209","0.2562","","","","","","1.048","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202459","13.5936","0.0009","18.5791","0.0012","24.3507","0.0017","90.743","0.003","92.11","0.002","102.012","0.003","6009.9","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H80 Cl6 Co2 N10 -","- C90 H80 Cl6 Co2 N10 -","- C180 H160 Cl12 Co4 N20 -","2","1","","Ma, Li; Shin, Ji-Young; Patrick, Brian O.; Dolphin, David","Metal complexes of dipyrromethenes linked by rigid spacer arms","CrystEngComm","2008","10","11","1531","","10.1039/b814586e","","","0.71073","MoKα","","0.1361","0.0808","","","0.2046","0.2212","","","","","","0.953","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202460","19.6504","0.001","19.6504","0.001","60.258","0.004","90","","90","","120","","20151","2","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C116 H136 Cl4 N12 Zn3 -","- C115.248 H134.496 Cl2.496 N12 Zn3 -","- C691.488 H806.976 Cl14.976 N72 Zn18 -","6","0.166667","","Ma, Li; Shin, Ji-Young; Patrick, Brian O.; Dolphin, David","Metal complexes of dipyrromethenes linked by rigid spacer arms","CrystEngComm","2008","10","11","1531","","10.1039/b814586e","","","0.71073","MoKα","","0.0657","0.0449","","","0.1271","0.1341","","","","","","1.09","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202461","14.4662","0.0018","30.099","0.004","16.497","0.002","90","","91.872","0.002","90","","7179.3","1.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","MJR458","","","- C74 H48 N4 Ni2 O12 -","- C74 H48 N4 Ni2 O12 -","- C296 H192 N16 Ni8 O48 -","4","1","","Heck, Romain; Bacsa, John; Warren, John E.; Rosseinsky, Matthew J.; Bradshaw, Darren","Triply interpenetrated (3,4)- and (3,5)-connected binodal metal‒organic networks prepared from 1,3,5-benzenetrisbenzoate and 4,4′-bipyridyl","CrystEngComm","2008","10","11","1687","","10.1039/b815423f","","","0.671","synchrotron","","0.1134","0.0764","","","0.1901","0.2074","","","","","","1.038","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202462","31.053","0.002","31.053","0.002","16.9025","0.0012","90","","90","","120","","14115.3","1.6","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","RH195","","","- C111 H96 N6 Ni3 O18 -","- C111 H96 N6 Ni3 O18 -","- C666 H576 N36 Ni18 O108 -","6","0.166667","","Heck, Romain; Bacsa, John; Warren, John E.; Rosseinsky, Matthew J.; Bradshaw, Darren","Triply interpenetrated (3,4)- and (3,5)-connected binodal metal‒organic networks prepared from 1,3,5-benzenetrisbenzoate and 4,4′-bipyridyl","CrystEngComm","2008","10","11","1687","","10.1039/b815423f","","","0.71073","MoKα","","0.0869","0.0568","","","0.1419","0.1487","","","","","","0.963","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202463","6.6966","0.0003","9.2281","0.0001","9.6691","0.0007","68.627","0.014","81.3","0.02","75.717","0.019","537.98","0.08","123.1","0.5","123.1","0.5","","","","","","","","4","P -1","-P 1","2","Dimethylethylenediammonium Dithiocyanate","","","- C6 H14 N4 S2 -","- C6 H14 N4 S2 -","- C12 H28 N8 S4 -","2","1","","Wolstenholme, David J.; Weigand, Jan J.; M. Cameron, Elinor; Cameron, T. Stanley","The progression of strong and weak hydrogen bonds in a series of ethylenediammonium dithiocyanate derivatives—a new bonding protocol for macromolecules?","Physical Chemistry Chemical Physics","2008","10","24","3569","3577","10.1039/b800108a","","","0.7107","MoKα","","0.06","0.03","","","","0.054","","","","","","1.1267","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202464","7.1297","0.0009","7.7609","0.0009","16.002","0.002","90","","101.346","0.006","90","","868.13","0.19","123.1","0.5","123.1","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ethylenediammonium Dithiocyante","","","- C4 H10 N4 S2 -","- C4 H10 N4 S2 -","- C16 H40 N16 S8 -","4","1","","Wolstenholme, David J.; Weigand, Jan J.; M. Cameron, Elinor; Cameron, T. Stanley","The progression of strong and weak hydrogen bonds in a series of ethylenediammonium dithiocyanate derivatives—a new bonding protocol for macromolecules?","Physical Chemistry Chemical Physics","2008","10","24","3569","3577","10.1039/b800108a","","","0.7107","MoKα","","0.054","0.029","","","","0.044","","","","","","1.1705","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202465","9.0787","0.0003","7.8491","0.0002","10.5697","0.0004","90","","98.575","0.002","90","","744.77","0.04","123.1","0.5","123.1","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Hexamethylethylenediammonium Dithiocyanate","","","- C10 H22 N4 S2 -","- C10 H22 N4 S2 -","- C20 H44 N8 S4 -","2","0.5","","Wolstenholme, David J.; Weigand, Jan J.; M. Cameron, Elinor; Cameron, T. Stanley","The progression of strong and weak hydrogen bonds in a series of ethylenediammonium dithiocyanate derivatives—a new bonding protocol for macromolecules?","Physical Chemistry Chemical Physics","2008","10","24","3569","3577","10.1039/b800108a","","","0.7107","MoKα","","0.069","0.03","","","","0.055","","","","","","1.5949","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7203860","9.2457","0.0019","7.3465","0.0016","9.929","0.002","90","","100.702","0.005","90","","662.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[H3NC2H4NH2]TiOPO4","","","- C4 H18 N4 O10 P2 Ti2 -","- C4 H18 N4 O10 P2 Ti2 -","- C8 H36 N8 O20 P4 Ti4 -","2","0.5","","Zhao, Yongnan; Zhu, Guangshan; Jiao, Xiuling; Liu, Wang; Pang, Wenqin","Template synthesis and characterization of a new 2-D layered titanium phosphate","Journal of Materials Chemistry","2000","10","2","463","","10.1039/a904837e","","","0.71073","MoKα","","0.048","0.0331","","","0.0892","0.0985","","","","","","0.71","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203861","10.043","0.003","15.989","0.004","18.308","0.006","90","","90","","90","","2939.9","1.5","293","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C3 H16 Ga3 N2 O15 P3 -","- C3 Ga3 N2 O15 P3 -","- C24 Ga24 N16 O120 P24 -","8","1","","Chantal Brouca-Cabarrecq; Alain Mosset","New potential open-framework materials in gallophosphate systems. Preparation and crystal structure of [NH3(CH2)3NH3]Ga3(PO4)3(OH)2·H2O and [NH2(CH2)3NH2]Ga3(PO4)3(H2O)","J. Mater. Chem.","2000","10","2","445","450","10.1039/a905099j","","","0.7093","","","0.1277","0.0436","","0.1351","0.1164","","","","0.992","1.197","1.197","","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203879","11.856","0.005","8.486","0.004","9.043","0.004","90","","106.89","0.01","90","","870.6","0.7","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 I4 N2 Pb -","- C6 H18 I4 N2 Pb -","- C12 H36 I8 N4 Pb2 -","2","0.5","","Mousdis, G. A.; Papavassiliou, G. C.; Raptopoulou, C. P.; Terzis, A.","Preparation and characterization of [H3N(CH2)6NH3]PbI4 and similar compounds with a layered perovskite structure","Journal of Materials Chemistry","2000","10","2","515","","10.1039/a906161d","","","0.71073","MoKα","","0.0298","0.0284","","0.0769","0.0758","","","","1.174","1.179","1.179","","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203880","12.02","0.01","8.045","0.008","8.342","0.009","90","","105.66","0.03","90","","776.7","1.3","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 Br4 N2 Pb -","- C6 Br4 N2 Pb -","- C12 Br8 N4 Pb2 -","2","0.5","","Mousdis, G. A.; Papavassiliou, G. C.; Raptopoulou, C. P.; Terzis, A.","Preparation and characterization of [H3N(CH2)6NH3]PbI4 and similar compounds with a layered perovskite structure","Journal of Materials Chemistry","2000","10","2","515","","10.1039/a906161d","","","0.71073","MoKα","","0.0427","0.0333","","0.0887","0.0828","","","","1.093","1.113","1.113","","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203893","15.46","0.005","16.781","0.007","15.429","0.006","115.28","0.03","90.88","0.03","90.88","0.03","3618","3","198.2","","198.2","","","","","","","","","4","P -1","-P 1","2","","","","- C86 H80 Mn N8 -","- C86 H80 Mn N8 -","- C172 H160 Mn2 N16 -","2","1","","Sugiura, Ken-ichi; Mikami, Shinji; Johnson, Mitchell T.; Miller, Joel S.; Iwasaki, Kentaro; Umishita, Kazunori; Hino, Shojun; Sakata, Yoshiteru","Structure and magnetic properties of meso-tetrakis(2,4,6-trimethylphenyl)porphyrinatomanganese(iii) 7,7,8,8-tetracyano-2,5-dimethyl-p-quinodimethanide with a 2.3 K Tc. The first example of cis coordination of a tetracyano-p-quinodimethanide","Journal of Materials Chemistry","2000","10","4","959","","10.1039/a907241a","","","0.7107","MoKα","","0.0756","0.0756","","","0.0926","0.0926","","","","","","1.384","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203910","10.337","0.002","15.297","0.0013","17.389","0.0006","90","","90","","90","","2749.6","0.6","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","N-[(2-Triphenylarsoniobenzylidene)]-1-amino-4-methoxybenzene iodide","","- C32 H27 As I N O -","- C32 H27 As I N O -","- C128 H108 As4 I4 N4 O4 -","4","1","","Allen, David W.; Mifflin, Joanne P.; Hursthouse, Michael B.; Coles, Simon; Hibbs, David E.; Malik, K. M. Abdul","A copper(i)-catalysed template synthesis of aryl-arsonium and -stibonium systems. Solvatochromic tetraaryl-arsonium and -stibonium iminophenolate betaines","Journal of Materials Chemistry","2000","10","2","457","","10.1039/a907699i","","","0.71069","MoKα","","0.0391","0.0326","","0.0766","0.0754","","","","0.881","0.947","0.947","","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203911","42.77","0.003","12.461","0.0017","19.025","0.001","90","","107.861","0.005","90","","9650.8","1.6","","","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H76 N6 O10 -","- C44 H76 N6 O10 -","- C352 H608 N48 O80 -","8","1","","Nishimura, Kazukuni; Kondo, Tetsuo; Drozdova, Olga O.; Yamochi, Hideki; Saito, Gunzi","Preparation of metallic BEDT-TTF charge transfer complex of 3,3',5,5'-tetranitro-4,4'-biphenyldiol dianion (TNBP2−) having flexible molecular shape","Journal of Materials Chemistry","2000","10","4","911","","10.1039/a907746d","","","0.71073","MoKα","","0.0674","0.0674","","","0.1848","0.1848","","","","","","1.448","","","","has coordinates","192778","2020-10-21","18:00:00",""
"7203912","9.396","0.002","10.436","0.002","14.038","0.003","113.226","0.009","96.24","0.01","94.51","0.01","1246.3","0.5","","","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H44 N4 O10 P2 -","- C60 H44 N4 O10 P2 -","- C60 H44 N4 O10 P2 -","1","0.5","","Nishimura, Kazukuni; Kondo, Tetsuo; Drozdova, Olga O.; Yamochi, Hideki; Saito, Gunzi","Preparation of metallic BEDT-TTF charge transfer complex of 3,3',5,5'-tetranitro-4,4'-biphenyldiol dianion (TNBP2−) having flexible molecular shape","Journal of Materials Chemistry","2000","10","4","911","","10.1039/a907746d","","","0.71073","MoK-alpha","","","0.068","","","0.071","","","","","1.299","1.299","","","","","has coordinates","295880","2024-11-12","08:14:39",""
"7203913","8.692","0.001","12.936","0.001","16.208","0.002","97.376","0.009","96.234","0.009","103.888","0.009","1736","0.3","","","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H36 N4 O10 S32 -","- C52 H36 N4 O10 S32 -","- C52 H36 N4 O10 S32 -","1","0.5","","Nishimura, Kazukuni; Kondo, Tetsuo; Drozdova, Olga O.; Yamochi, Hideki; Saito, Gunzi","Preparation of metallic BEDT-TTF charge transfer complex of 3,3',5,5'-tetranitro-4,4'-biphenyldiol dianion (TNBP2−) having flexible molecular shape","Journal of Materials Chemistry","2000","10","4","911","","10.1039/a907746d","","","0.71073","MoK-alpha","","","0.065","","","0.063","","","","","2.308","2.308","","","","","has coordinates","295880","2024-11-12","08:14:39",""
"7203915","13.314","0.0019","13.314","0.0019","6.8188","0.0014","90","","90","","90","","1208.7","0.3","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","AlGe-NATROLITE","","","- Al1.87 Ge2.8 H2 Na2 O11.2 -","- Al1.865 Ge2.8 Na2 O12 -","- Al7.46 Ge11.2 Na8 O48 -","4","0.25","","Tripathi, Akhilesh; Johnson, Geoffrey M.; Jin Kim, Sun; Parise, John B.","Na2Al2Ge3O10·2H2O: an aluminogermanate with the tetranatrolite topology","Journal of Materials Chemistry","2000","10","2","451","","10.1039/a907933e","","","0.71073","MoKα","","0.0496","0.0463","","","0.1118","0.1132","","","","","","1.05","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203925","12.369","0.003","13.674","0.002","12.38","0.0016","90","","90","","90","","2093.9","0.7","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C16 H32 Pd2 S2 -","- C16 H32 Pd2 S2 -","- C64 H128 Pd8 S8 -","4","0.5","","Singhal, A.; Jain, V. K.; Mishra, R.; Varghese, Babu","Organochalcogenido-bridged dimeric 2-methylallylpalladium complexes: synthesis, structure and their transformation into palladium chalcogenides","Journal of Materials Chemistry","2000","10","5","1121","","10.1039/a908133j","","","0.71073","MoKα","","0.0213","0.0184","","","0.0448","0.047","","","","","","1.189","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203926","8.148","0.001","15.388","0.002","22.658","0.003","96.086","0.009","96.34","0.01","95.26","0.011","2792.2","0.6","293","2","293","2","","","","","","","synthesis","4","P -1","-P 1","2","","","","- C114 H88 N40 Se6 -","- C114 H88 N40 Se6 -","- C114 H88 N40 Se6 -","1","0.5","","Devillanova, Francesco A.; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Verani, Gaetano; Cornia, Andrea; Fabretti, Antonio C.; Girlando, Alberto","Reaction of N,N'-dimethylimidazolidine-2-selone (4) with TCNQ. Characterisation and X-ray crystal structure of the mixed-valence compound 4·(TCNQ)1.167","Journal of Materials Chemistry","2000","10","6","1281","","10.1039/a908136d","","","0.71069","MoKα","","0.0849","0.0442","","","0.1006","0.1274","","","","","","1.055","","","","has coordinates,has disorder","180370","2020-10-21","18:00:00",""
"7203940","10.8001","0.0009","11.016","0.0009","12.4143","0.0009","107.851","0.005","100.953","0.005","96.477","0.007","1356.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H44 Cl4 O8 -","- C66 H40 Cl4 O8 -","- C66 H40 Cl4 O8 -","1","0.5","","Baxter, Ian; Colquhoun, Howard M.; Hodge, Philip; Kohnke, Franz H.; Lewis, David F.; Williams, David J.","Macrocyclic oligomers of the aromatic polyetherketone “PK99”: synthesis, fractionation, structural characterisation and ring-opening polymerisation","Journal of Materials Chemistry","2000","10","2","309","","10.1039/a908414b","","","1.54178","CuKα","","0.0832","0.0638","","0.2081","0.1754","","","","1.042","1.092","1.092","","","","","has coordinates,has disorder","180370","2020-10-21","18:00:00",""
"7203946","11.953","0.004","14.701","0.002","13.917","0.004","90","","93.77","0.02","90","","2440.2","1.1","294","","294","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 Cl O4 S12 -","- C15 H8 Cl O4 S12 -","- C60 H32 Cl4 O16 S48 -","4","1","","Le Moustarder, S.; Hudhomme, P.; Durand, C.; Mercier, N.; Azcondo, M. T.; Delhaes, P.; Riou, A.; Gorgues, A.","First radical cation salts from the symmetrical outer S‐position isomer of BEDT-TTF","Journal of Materials Chemistry","2000","10","3","617","","10.1039/a908843a","","","0.71073","Mo-Kα","","0.067","0.051","","0.086","0.08","","","","2.229","2.122","2.122","","","","","has coordinates","288529","2023-12-23","19:34:17",""
"7203947","11.91","0.008","14.579","0.008","13.771","0.002","90","","94.28","0.02","90","","2384","2","294","","294","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 B F4 S12 -","- C15 H11.44 B F4 S12 -","- C60 H45.76 B4 F16 S48 -","4","1","","Le Moustarder, S.; Hudhomme, P.; Durand, C.; Mercier, N.; Azcondo, M. T.; Delhaes, P.; Riou, A.; Gorgues, A.","First radical cation salts from the symmetrical outer S‐position isomer of BEDT-TTF","Journal of Materials Chemistry","2000","10","3","617","","10.1039/a908843a","","","0.71073","Mo-Kα","","0.065","0.048","","0.061","0.05","","","","2.354","2.012","2.012","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203948","5.417","0.007","17.75","0.01","20.71","0.01","90","","96.94","0.02","90","","1977","3","294","","294","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H4 Cu N2 S10 -","- C12 H4 Cu N2 S10 -","- C48 H16 Cu4 N8 S40 -","4","1","","Le Moustarder, S.; Hudhomme, P.; Durand, C.; Mercier, N.; Azcondo, M. T.; Delhaes, P.; Riou, A.; Gorgues, A.","First radical cation salts from the symmetrical outer S‐position isomer of BEDT-TTF","Journal of Materials Chemistry","2000","10","3","617","","10.1039/a908843a","","","0.71073","Mo-Kα","","0.203","0.056","","0.352","0.069","","","","","1.418","1.418","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203949","45.381","0.001","5.1771","0.0007","18.266","0.001","90","","106.293","0.006","90","","4119.1","0.6","298","2","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","Dibenzo[fg,ij]phenanthro[3,2,1,10,9-pqrst]pentaphene","","- C36 H18 -","- C36 H18 -","- C288 H144 -","8","1","","Kübel, Christian; Eckhardt, Karin; Enkelmann, Volker; Wegner, Gerhard; Müllen, Klaus","Synthesis and crystal packing of large polycyclic aromatic hydrocarbons: hexabenzo[bc,ef,hi,kl,no,qr]coronene and dibenzo[fg,ij]phenanthro[9,10,1,2,3-pqrst]pentaphene","Journal of Materials Chemistry","2000","10","4","879","","10.1039/a908941a","","","1.5418","CuKα","","","0.047","","","0.057","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203951","21.722","0.002","21.722","0.002","7.448","0.002","90","","90","","90","","3514.3","1","291.2","","293","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C92 H52 Fe2 N20 P -","- C92 H52 Fe2 N20 P -","- C184 H104 Fe4 N40 P2 -","2","0.25","","Matsuda, Masaki; Naito, Toshio; Inabe, Tamotsu; Hanasaki, Noriaki; Tajima, Hiroyuki; Otsuka, Takeo; Awaga, Kunio; Narymbetov, Bakhyt; Kobayashi, Hayao","A one-dimensional macrocyclic π‐ligand conductor carrying a magnetic center. Structure and electrical, optical and magnetic properties of TPP[Fe(Pc)(CN)2]2 {TPP = tetraphenylphosphonium and [Fe(Pc)(CN)2] = dicyano(phthalocyaninato)iron(iii)}","Journal of Materials Chemistry","2000","10","3","631","","10.1039/a909159i","","","0.7107","MoKα","","0.0358","0.0358","","","0.0385","0.0385","","","","","","2.45","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203952","5.0715","0.0006","7.5286","0.0011","9.1496","0.0011","72.441","0.003","85.679","0.002","70.48","0.002","313.8","0.07","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C2 H14 F Fe N2 Nb O11 P2 -","- C2 H14 F Fe N2 Nb O11 P2 -","- C2 H14 F Fe N2 Nb O11 P2 -","1","0.5","","Wang, Xiqu; Liu, Lumei; Cheng, Heidi; Ross, Kent; Jacobson, Allan J.","Synthesis and crystal structures of [H3N(CH2)2NH3]NbMOF(PO4)2(H2O)2, M = Fe,Co and [H3N(CH2)2NH3]Ti(Fe0.9Cr0.1)(F1.3O0.7)(H0.3PO4)2(H2O)2","Journal of Materials Chemistry","2000","10","5","1203","","10.1039/a909193i","","","0.71073","MoKα","","0.049","0.0473","","0.1138","0.1131","","","","1.313","1.331","1.331","","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203953","5.0469","0.0005","7.487","0.0008","9.1217","0.001","72.486","0.002","85.679","0.002","70.8","0.002","310.31","0.06","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C2 H14 Co F N2 Nb O11 P2 -","- C2 H14 Co F N2 Nb O11 P2 -","- C2 H14 Co F N2 Nb O11 P2 -","1","0.5","","Wang, Xiqu; Liu, Lumei; Cheng, Heidi; Ross, Kent; Jacobson, Allan J.","Synthesis and crystal structures of [H3N(CH2)2NH3]NbMOF(PO4)2(H2O)2, M = Fe,Co and [H3N(CH2)2NH3]Ti(Fe0.9Cr0.1)(F1.3O0.7)(H0.3PO4)2(H2O)2","Journal of Materials Chemistry","2000","10","5","1203","","10.1039/a909193i","","","0.71073","MoKα","","0.0599","0.0569","","0.1337","0.1323","","","","1.312","1.327","1.327","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203954","5.1584","0.001","7.4556","0.0014","9.089","0.002","63.87","0.03","80.6","0.03","69.79","0.03","294.48","0.14","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C2 H14.3 Cr0.1 F1.3 Fe0.9 N2 O10.7 P2 Ti -","- C H5 Cr0.07 F0.65 Fe0.43 N O5.35 P Ti0.5 -","- C2 H10 Cr0.14 F1.3 Fe0.86 N2 O10.7 P2 Ti -","2","1","","Wang, Xiqu; Liu, Lumei; Cheng, Heidi; Ross, Kent; Jacobson, Allan J.","Synthesis and crystal structures of [H3N(CH2)2NH3]NbMOF(PO4)2(H2O)2, M = Fe,Co and [H3N(CH2)2NH3]Ti(Fe0.9Cr0.1)(F1.3O0.7)(H0.3PO4)2(H2O)2","Journal of Materials Chemistry","2000","10","5","1203","","10.1039/a909193i","","","0.71073","MoKα","","0.1548","0.0976","","0.2413","0.2103","","","","1.076","1.186","1.186","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203958","12.432","0.001","12.893","0.001","22.148","0.002","90","","90","","90","","3550.01","","160","","0","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H42 N4 O2 -","- C42 H42 N4 O2 -","- C168 H168 N16 O8 -","4","1","","Averseng, Frédéric; Lacroix, Pascal G.; Malfant, Isabelle; Dahan, Françoise; Nakatani, Keitaro","Synthesis, crystal structure and solid state NLO properties of a new chiral bis(salicylaldiminato)nickel(ii) Schiff-base complex in a nearly optimized solid state environment","Journal of Materials Chemistry","2000","10","4","1013","","10.1039/a910244m","","","0.71073","MoKα","","","0.0913","","","0.08","","","","","1.1412","1.1412","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7203959","13.66","0.002","10.601","0.002","12.34","0.002","90","","112.086","0.011","90","","1655.83","","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H40 N4 Ni O2 -","- C36 H40 N4 Ni O2 -","- C72 H80 N8 Ni2 O4 -","2","1","","Averseng, Frédéric; Lacroix, Pascal G.; Malfant, Isabelle; Dahan, Françoise; Nakatani, Keitaro","Synthesis, crystal structure and solid state NLO properties of a new chiral bis(salicylaldiminato)nickel(ii) Schiff-base complex in a nearly optimized solid state environment","Journal of Materials Chemistry","2000","10","4","1013","","10.1039/a910244m","","","0.71073","MoKα","","0.0509","0.0352","","0.0632","0.0568","","","","1.076","1.115","1.115","","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203960","12.9998","0.001","16.1021","0.0016","36.377","0.003","90","","90","","90","","7614.58","","180","","180","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C88 H88 N8 Ni3 O9 -","- C88 H88 N8 Ni3 O9 -","- C352 H352 N32 Ni12 O36 -","4","1","","Averseng, Frédéric; Lacroix, Pascal G.; Malfant, Isabelle; Dahan, Françoise; Nakatani, Keitaro","Synthesis, crystal structure and solid state NLO properties of a new chiral bis(salicylaldiminato)nickel(ii) Schiff-base complex in a nearly optimized solid state environment","Journal of Materials Chemistry","2000","10","4","1013","","10.1039/a910244m","","","0.71073","MoKα","","0.1035","0.0776","","","0.1862","0.208","","","","","","1.025","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203961","17.776","0.005","18.613","0.009","10.124","0.003","90","","123.51","0.03","90","","2793","2","296.2","","296.2","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C54 H36 Cl4 N10 O12 Zn2 -","- C27 H18 Cl2 N5 O6 Zn0.5 -","- C108 H72 Cl8 N20 O24 Zn2 -","4","1","","Evans, Cara C.; Masse, René; Nicoud, Jean-François; Bagieu-Beucher, Muriel","A new octupolar material for quadratic nonlinear optics: tris(2,2'-bipyridyl)Zn(ii) tetrakis(2-chloro-4-nitrophenolate)Zn(ii)","Journal of Materials Chemistry","2000","10","6","1419","","10.1039/b000417k","","","0.7107","MoKα","","0.0356","0.036","","0.039","","0.039","","","1.436","","","1.44","","","","has coordinates","277931","2022-09-16","22:15:54",""
"7203962","11.2655","0.0006","16.7247","0.0008","9.6229","0.0004","94.18","0.003","109","1","106.026","0.003","1621","12","296.2","","296.2","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H22 Cl2 N6 O6 Zn -","- C32 H22 Cl2 N6 O6 Zn -","- C64 H44 Cl4 N12 O12 Zn2 -","2","1","","Evans, Cara C.; Masse, René; Nicoud, Jean-François; Bagieu-Beucher, Muriel","A new octupolar material for quadratic nonlinear optics: tris(2,2'-bipyridyl)Zn(ii) tetrakis(2-chloro-4-nitrophenolate)Zn(ii)","Journal of Materials Chemistry","2000","10","6","1419","","10.1039/b000417k","","","0.5608","AgKα","","0.0314","0.031","","0.046","","0.046","","","2.99","","","2.99","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203963","13.1589","0.0006","13.3044","0.0009","11.9989","0.0008","94.1","1","115","1","91.107","0.003","1896","16","296.2","","296.2","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H16 Cl2 N2 O11 Zn -","- C12 H15.5 Cl2 N2 O11 Zn -","- C48 H62 Cl8 N8 O44 Zn4 -","4","2","","Evans, Cara C.; Masse, René; Nicoud, Jean-François; Bagieu-Beucher, Muriel","A new octupolar material for quadratic nonlinear optics: tris(2,2'-bipyridyl)Zn(ii) tetrakis(2-chloro-4-nitrophenolate)Zn(ii)","Journal of Materials Chemistry","2000","10","6","1419","","10.1039/b000417k","","","0.5608","AgKα","","0.0431","0.043","","0.052","","0.052","","","1.983","","","1.98","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203964","7.4876","0.0008","8.2336","0.0008","12.8592","0.0013","98.723","0.002","101.258","0.002","115.785","0.002","674.51","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C3 H14 N2 O12 P3 Zn2 -","- C3 H14 N2 O12 P3 Zn2 -","- C6 H28 N4 O24 P6 Zn4 -","2","1","","Liu, Wang; Liu, Yunling; Shi, Zhan; Pang, Wenqin","Hydrothermal synthesis and characterization of a new layered zinc phosphate intercalated with fully-protonated triethylenetetramine [Zn2(HPO4)3]2−[(C6N4H22)0.5]2+","Journal of Materials Chemistry","2000","10","6","1451","","10.1039/b000658k","","","0.71073","MoKα","","0.0627","0.0596","","","0.1521","0.1548","","","","","","1.084","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203965","11.1071","0.0005","25.4188","0.0009","12.5938","0.0005","90","","96.911","0.007","90","","3529.8","0.3","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 Cl2 O8 -","- C42 H34 Cl2 O8 -","- C168 H136 Cl8 O32 -","4","1","","Ben-Haida, Abderrazak; Colquhoun, Howard M.; Hodge, Philip; Williams, David J.","Cyclic oligomers of poly(ether ketone) (PEK): synthesis, extraction from polymer, fractionation, and characterisation of the cyclic trimer, tetramer and pentamer","Journal of Materials Chemistry","2000","10","9","2011","","10.1039/b000738m","","","1.54178","CuKα","","0.0647","0.0514","","0.1471","0.1338","","","","1.037","1.075","1.075","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203966","8.7603","0.0005","10.1072","0.0005","14.0404","0.0008","75.262","0.004","73.004","0.005","80.202","0.004","1143.57","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C53.5 H35 Cl3 O8 -","- C53.5 H35 Cl3 O8 -","- C53.5 H35 Cl3 O8 -","1","0.5","","Ben-Haida, Abderrazak; Colquhoun, Howard M.; Hodge, Philip; Williams, David J.","Cyclic oligomers of poly(ether ketone) (PEK): synthesis, extraction from polymer, fractionation, and characterisation of the cyclic trimer, tetramer and pentamer","Journal of Materials Chemistry","2000","10","9","2011","","10.1039/b000738m","","","1.54178","CuKα","","0.0815","0.0609","","0.2084","0.1741","","","","1.07","1.124","1.124","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203967","8.374","0.001","12.684","0.002","26.295","0.003","90","","96.2","0.01","90","","2776.6","0.6","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-bis[4',5,5'-tris(methylsulfanyl)tetrathiafulvalenyl]","","- C18 H18 S14 -","- C18 H18 S14 -","- C72 H72 S56 -","4","1","","John, Derek E.; Moore, Adrian J.; Bryce, Martin R.; Batsanov, Andrei S.; Leech, Michael A.; Howard, Judith A. K.","New bi(tetrathiafulvalenyl) derivatives and their radical cations: synthetic and X-ray structural studies","Journal of Materials Chemistry","2000","10","6","1273","","10.1039/b000790k","","","0.71073","MoKα","","0.0465","0.042","","0.1194","0.1145","","","","1.187","1.203","1.203","","","","","has coordinates,has disorder","288193","2023-12-08","17:12:24",""
"7203968","11.074","0.003","24.139","0.007","4.876","0.002","90","","90","","90","","1303.4","0.7","150","2","150","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","4-bis(5-methyl-4',5'-ethylenedithiotetrathiafulvalenyl) perchlorate","","- C18 H14 Cl O4 S12 -","- C18 H14 Cl O4 S12 -","- C36 H28 Cl2 O8 S24 -","2","0.5","","John, Derek E.; Moore, Adrian J.; Bryce, Martin R.; Batsanov, Andrei S.; Leech, Michael A.; Howard, Judith A. K.","New bi(tetrathiafulvalenyl) derivatives and their radical cations: synthetic and X-ray structural studies","Journal of Materials Chemistry","2000","10","6","1273","","10.1039/b000790k","","","1.54184","CuKα","","0.1737","0.1276","","0.4067","0.3278","","","","1.063","1.098","1.098","","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203970","7.234","0.001","8.999","0.001","16.907","0.002","90","","92.42","0.01","90","","1099.6","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 O3 -","- C12 H10 N2 O3 -","- C48 H40 N8 O12 -","4","1","","Zhao, Bo; Chen, Changyun; Zhou, Zhihua; Cao, Yang; Li, Ming","A comparative study on the nonlinear optical properties of diphenyl ether and diphenyl sulfide compounds","Journal of Materials Chemistry","2000","10","7","1581","","10.1039/b000957l","","","0.71073","MoKα","","0.0577","0.0322","","","0.077","0.0834","","","","","","0.905","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203971","9.929","0.002","19.549","0.004","12.1","0.002","90","","96.11","0.03","90","","2335.3","0.8","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 N2 O5 S -","- C24 H30 N2 O5 S -","- C96 H120 N8 O20 S4 -","4","1","","Ren, Yan; Fang, Qi; Yu, Wen-Tao; Lei, Hong; Tian, Yu-Peng; Jiang, Min-Hua; Yang, Qing-Chuan; Mak, Thomas C. W.","Synthesis, structures and two-photon pumped up-conversion lasing properties of two new organic salts","Journal of Materials Chemistry","2000","10","9","2025","","10.1039/b001058h","","","0.71073","MoKα","","0.0811","0.0776","","","0.2303","0.2347","","","","","","1.091","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7203972","9.4237","0.0008","9.6976","0.0008","13.2841","0.0009","86.655","0.006","74.064","0.005","85.891","0.007","1163.39","0.16","568","2","568","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H30 N2 O4 S -","- C25 H30 N2 O4 S -","- C50 H60 N4 O8 S2 -","2","1","","Ren, Yan; Fang, Qi; Yu, Wen-Tao; Lei, Hong; Tian, Yu-Peng; Jiang, Min-Hua; Yang, Qing-Chuan; Mak, Thomas C. W.","Synthesis, structures and two-photon pumped up-conversion lasing properties of two new organic salts","Journal of Materials Chemistry","2000","10","9","2025","","10.1039/b001058h","","","0.71073","MoKα","","0.0842","0.0573","","","0.1575","0.1832","","","","","","0.987","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203973","9.733","0.001","20.826","0.002","25.311","0.003","74.97","0.01","83.31","0.02","89.26","0.02","4920.5","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 Cl3 In N3 -","- C21 H27 Cl3 In N3 -","- C168 H216 Cl24 In8 N24 -","8","4","","Green, Mark; Norager, Sebastian; Moriarty, Philip; Motevalli, Majid; O'Brien, Paul","On the synthesis and manipulation of InAs quantum dots","Journal of Materials Chemistry","2000","10","8","1939","","10.1039/b001354o","","","0.71073","MoKα","","0.2443","0.0953","","","0.2874","0.3465","","","","","","0.825","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203974","19.503","0.004","10.841","0.003","24.137","0.005","90","","97.13","0.03","90","","5064","2","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","TBA[Ni(fcvdt)2](COMe2)0.5","","","- C45.5 H59 Fe2 N Ni O0.5 S8 -","- C45.5 H56 Fe2 N Ni O0.5 S8 -","- C182 H224 Fe8 N4 Ni4 O2 S32 -","4","1","","Lee, Ha-Jin; Noh, Dong-Youn","Syntheses, X-ray crystal structures and properties of di- and tetra-ferrocenyl nickel-bis(1,4-dithiin-5,6-dithiolate) complexes","Journal of Materials Chemistry","2000","10","9","2167","","10.1039/b001829p","","","0.71073","MoKα","","0.0793","0.0772","","","0.1971","0.2003","","","","","","1.09","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203975","20.457","0.014","39.22","0.013","8.496","0.002","90","","90","","90","","6817","5","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","TBA[Ni(dfcvdt)2](COMe2)","","","- C67 H78 Fe4 N Ni O S8 -","- C67 H36 Fe4 N Ni O S8 -","- C268 H144 Fe16 N4 Ni4 O4 S32 -","4","0.5","","Lee, Ha-Jin; Noh, Dong-Youn","Syntheses, X-ray crystal structures and properties of di- and tetra-ferrocenyl nickel-bis(1,4-dithiin-5,6-dithiolate) complexes","Journal of Materials Chemistry","2000","10","9","2167","","10.1039/b001829p","","","0.71073","MoKα","","0.2474","0.1093","","","0.2571","0.3047","","","","","","1.037","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203976","6.438","0.001","19.151","0.002","3.93","0.001","92.69","0.02","95.76","0.02","93.7","0.01","480.4","0.15","293.2","","293.2","","","","","","","","","6","P 1","P 1","1","","","","- C12 H6 F2 S4 Se4 Ta0.33 -","- C12 H6 F1.98 S4 Se4 Ta0.33 -","- C12 H6 F1.98 S4 Se4 Ta0.33 -","1","1","","Fujiwara, Hideki; Misaki, Yohji; Yamabe, Tokio; Mori, Takehiko; Mori, Hatsumi; Tanaka, Shoji","Preparation, structures and physical properties of selenium analogues of DTEDT as promising donors for organic metals","Journal of Materials Chemistry","2000","10","7","1565","","10.1039/b002790l","","","0.7107","MoKα","","","0.0434","","","0.0474","","","","","2.364","2.364","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203977","9.41","","10.004","","18.881","","79.891","","85.382","","89.057","","1744.13","","120","","120","","","","","","","","","6","P -1","-P 1","2","","bismuthcalciumvanadate","","- C0 H0 Bi3.03 Ca8.97 O41 V11 -","- Bi3.035 Ca8.965 O41 V11 -","- Bi6.07 Ca17.93 O82 V22 -","2","1","","Radosavljevic, Ivana; Howard, Judith A. K.; Sleight, Arthur W.; Evans, John S. O.","Synthesis and structure of Bi3Ca9V11O41","Journal of Materials Chemistry","2000","10","9","2091","","10.1039/b002857f","","","0.71073","MoKα","","","0.0393","","","","0.0411","","","","","","0.6348","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203978","12.783","0.002","28.839","0.005","7.3919","0.0009","90","","90","","90","","2725","0.7","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 Cu2 N2 O8 -","- C26 H34 Cu2 N2 O8 -","- C104 H136 Cu8 N8 O32 -","4","1","","Royles, Brodyck J. L.; Sherrington, David C.","Mainchain optically active vinyl copolymers via transition metal complex-templated asymmetric free radical polymerisation","Journal of Materials Chemistry","2000","10","9","2035","","10.1039/b003007o","","","0.61079","","","0.0684","0.0375","","","0.089","0.0981","","","","","","1.026","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203979","8.9908","0.0005","13.2399","0.0005","15.0602","0.001","81.003","0.004","85.747","0.003","70.911","0.003","1672.79","0.16","293","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 Cl O4 S16 -","- C24 H24 Cl O4 S16 -","- C48 H48 Cl2 O8 S32 -","2","1","","Li, Hongxiang; Zhang, Deqing; Zhang, Bin; Yao, Youxin; Xu, Wei; Zhu, Daoben; Wang, Zhemin","Syntheses of new electron donors with hydroxymethyl groups and studies on their cation-radical salts","Journal of Materials Chemistry","2000","10","9","2063","","10.1039/b003041o","","","0.71073","MoKα","","0.1107","0.0825","","","0.2","0.2093","","","","","","1.239","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203986","4.0251","0.0003","15.266","0.002","19.259","0.002","97.02","0.01","93.23","0.01","96.04","0.01","1165.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16.875 H12 Fe0.375 N2.25 O6.375 S6 -","- C16.875 H12 Fe0.375 N2.25 O6.375 S6 -","- C33.75 H24 Fe0.75 N4.5 O12.75 S12 -","2","1","","Zorina, Leokadiya V.; Khasanov, Salavat S.; Shibaeva, Rimma P.; Gener, Marc; Rousseau, Roger; Canadell, Enric; Kushch, Lyudmila A.; Yagubskii, Eduard B.; Drozdova, Olga O.; Yakushi, Kyuya","A new stable organic metal based on the BEDO-TTF donor and the doubly charged nitroprusside anion, (BEDO-TTF)4[Fe(CN)5NO]","Journal of Materials Chemistry","2000","10","9","2017","","10.1039/b003433i","","","0.71073","MoKα","","0.0753","0.0707","","","0.2303","0.2383","","","","","","0.999","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203987","10.245","0.0016","12.6915","0.0019","13.557","0.002","80.371","0.003","87","0.003","85.967","0.003","1732.1","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H29 Br6 N5 O3 -","- C33 H29 Br6 N5 O3 -","- C66 H58 Br12 N10 O6 -","2","1","","Robertson, Neil; Parsons, S.; MacLean, E. J.; Coxall, R. A.; Mount, Andrew R.","Preparation, X-ray structure and properties of a hexabrominated, symmetric indole trimer and its TCNQ adduct: a new route to functional molecular systems","Journal of Materials Chemistry","2000","10","9","2043","","10.1039/b003631p","","","0.6884","synchrotron","","0.1077","0.0654","","","0.1457","0.1581","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203988","14.455","0.003","25.371","0.005","16.719","0.003","90","","93.24","0.03","90","","6122","2","220","2","220","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H41 Br6 N11 O4 S4 -","- C54 H35 Br6 N11 O3 S3 -","- C216 H140 Br24 N44 O12 S12 -","4","1","","Robertson, Neil; Parsons, S.; MacLean, E. J.; Coxall, R. A.; Mount, Andrew R.","Preparation, X-ray structure and properties of a hexabrominated, symmetric indole trimer and its TCNQ adduct: a new route to functional molecular systems","Journal of Materials Chemistry","2000","10","9","2043","","10.1039/b003631p","","","1.54178","CuKα","","0.1807","0.0868","","","0.2021","0.2476","","","","","","0.955","","","","has coordinates,has disorder","180370","2020-10-21","18:00:00",""
"7203989","4.8898","0.0005","9.0758","0.001","9.521","0.001","88.815","0.002","78.638","0.002","78.491","0.002","405.84","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Ba3 Nb2 O18 P4 -","- Ba3 Nb2 O18 P4 -","- Ba3 Nb2 O18 P4 -","1","0.5","","Wang, Xiqu; Liu, Lumei; Jacobson, Allan J.","Hydrothermal synthesis and structures of Ba3(NbO)2(PO4)4 and Co3(NbO)2(PO4)4(H2O)10","Journal of Materials Chemistry","2000","10","12","2774","","10.1039/b003845h","","","0.71073","MoKα","","0.0738","0.055","","0.1428","0.133","","","","0.997","1.053","1.053","","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203990","5.1259","0.0003","11.1573","0.0008","19.1666","0.0013","90","","90.171","0.001","90","","1096.16","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- Co3 F0.3 H19.7 Nb2 O27.7 P4 -","- Co3 Nb2 O28 P4 -","- Co6 Nb4 O56 P8 -","2","0.5","","Wang, Xiqu; Liu, Lumei; Jacobson, Allan J.","Hydrothermal synthesis and structures of Ba3(NbO)2(PO4)4 and Co3(NbO)2(PO4)4(H2O)10","Journal of Materials Chemistry","2000","10","12","2774","","10.1039/b003845h","","","0.71073","MoKα","","0.0687","0.0488","","0.1174","0.1096","","","","0.975","1.032","1.032","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203991","6.876","0.002","9.361","0.003","9.508","0.003","101.96","0.01","95.96","0.01","104.09","0.01","573","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","thieno[3',4'-d:5,6][1,4]dithiino[2,3-b]quinoxaline","","- C12 H6 N2 S3 -","- C12 H6 N2 S3 -","- C24 H12 N4 S6 -","2","1","","Skabara, Peter J.; Berridge, Rory; Prescott, Karen; Goldenberg, Leonid M.; Ortí, Enrique; Viruela, Rafael; Pou-Amérigo, Rosendo; Batsanov, Andrei S.; Howard, Judith A. K.; Coles, Simon J.; Hursthouse, Michael B.","Experimental and theoretical studies into the structural perturbations between neutral, oxidised and reduced forms of 1,4-dithiinoquinoxaline derivatives","Journal of Materials Chemistry","2000","10","11","2448","","10.1039/b003910l","","","0.71073","MoKα","","0.0313","0.0286","","0.0819","0.0764","","","","1.121","1.119","1.119","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203992","8.059","0.001","12.144","0.001","22.257","0.002","76.95","0.01","85.24","0.01","79.67","0.01","2085.6","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","thieno[3',4'-d:5,6][1,4]dithiino[2,3-b]quinoxaline tetracyanoquinodimethane","","- C24 H10 N6 S3 -","- C24 H10 N6 S3 -","- C96 H40 N24 S12 -","4","2","","Skabara, Peter J.; Berridge, Rory; Prescott, Karen; Goldenberg, Leonid M.; Ortí, Enrique; Viruela, Rafael; Pou-Amérigo, Rosendo; Batsanov, Andrei S.; Howard, Judith A. K.; Coles, Simon J.; Hursthouse, Michael B.","Experimental and theoretical studies into the structural perturbations between neutral, oxidised and reduced forms of 1,4-dithiinoquinoxaline derivatives","Journal of Materials Chemistry","2000","10","11","2448","","10.1039/b003910l","","","0.71073","MoKα","","0.106","0.0675","","","0.1594","0.1928","","","","","","1.09","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203993","9.5292","0.0019","13.975","0.003","10.241","0.002","90","","90","","90","","1363.8","0.5","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","5,6-bis(methylsulfanyl)[1,4]dithiino[2,3-b]quinoxaline","","- C12 H10 N2 S4 -","- C12 H10 N2 S4 -","- C48 H40 N8 S16 -","4","0.5","","Skabara, Peter J.; Berridge, Rory; Prescott, Karen; Goldenberg, Leonid M.; Ortí, Enrique; Viruela, Rafael; Pou-Amérigo, Rosendo; Batsanov, Andrei S.; Howard, Judith A. K.; Coles, Simon J.; Hursthouse, Michael B.","Experimental and theoretical studies into the structural perturbations between neutral, oxidised and reduced forms of 1,4-dithiinoquinoxaline derivatives","Journal of Materials Chemistry","2000","10","11","2448","","10.1039/b003910l","","","0.71073","MoKα","","0.0518","0.0443","","","0.1085","0.1126","","","","","","0.796","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7204000","9.864","0.002","12.475","0.004","8.827","0.002","107.83","0.02","93.02","0.02","102.3","0.02","1002.1","0.5","296.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C52 H27 Co N11 -","- C52 H24 Co N11 -","- C52 H24 Co N11 -","1","0.5","","Matsumura, Naoko; Fujita, Akiko; Naito, Toshio; Inabe, Tamotsu","Multi-dimensional π‒π stacking interaction in neutral radical crystals obtained by electrochemical oxidation of [CoIII(2,3-Nc)(CN)2]− (2,3-Nc = 2,3-naphthalocyanine)","Journal of Materials Chemistry","2000","10","10","2266","","10.1039/b004025h","","","0.7107","MoKα","","","0.0724","","","","0.08","","","","","","3.44","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204001","10.684","0.001","15.005","0.002","8.068","0.001","92.371","0.007","95.72","0.006","70.079","0.004","1209.9","0.2","123","","","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H32 Cl4 Co N10 -","- C62 H32 Cl4 Co N10 -","- C62 H32 Cl4 Co N10 -","1","0.5","","Matsumura, Naoko; Fujita, Akiko; Naito, Toshio; Inabe, Tamotsu","Multi-dimensional π‒π stacking interaction in neutral radical crystals obtained by electrochemical oxidation of [CoIII(2,3-Nc)(CN)2]− (2,3-Nc = 2,3-naphthalocyanine)","Journal of Materials Chemistry","2000","10","10","2266","","10.1039/b004025h","","","0.7107","MoKα","","","0.0645","","","","0.045","","","","","","2.36","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204002","17.2497","0.0013","25.7851","0.0018","9.4339","0.0007","90","","103.567","","90","","4079","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C140 H141 Al12 O64 P20 -","- C142.08 H134 Al12 O64 P20 -","- C142.08 H134 Al12 O64 P20 -","1","0.25","","Zakowsky, Nadja; Hix, Gary B.; Morris, Russell E.","Synthesis of a family of aluminium benzylphosphonates","Journal of Materials Chemistry","2000","10","10","2375","","10.1039/b004177g","","","0.6944","Synchrotron","","0.1349","0.0835","","","0.1819","0.202","","","","","","1.197","","","","has coordinates,has disorder","180371","2020-10-21","18:00:00",""
"7204004","20.944","0.005","9.861","0.002","9.404","0.002","90","","95.61","0.02","90","","1932.9","0.7","296.2","","296.2","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C11 H11 B F4 N O S8 -","- C11 H7 B F4 N O S8 -","- C44 H28 B4 F16 N4 O4 S32 -","4","1","","Ono, Go; Terao, Hiroshi; Higuchi, Saburo; Sugawara, Tadashi; Izuoka, Akira; Mochida, Tomoyuki","One-dimensional double chain composed of carbamoylmethylthio-substituted TTF-based donor in ion radical salt","Journal of Materials Chemistry","2000","10","10","2277","","10.1039/b004557h","","","0.7107","MoKα","","","0.0557","","","0.0884","","","","","1.695","1.695","","","","","has coordinates","180371","2020-10-21","18:00:00",""
"7204005","7.5773","0.0008","13.5538","0.0014","14.2164","0.0013","76.894","0.008","85.153","0.008","74.656","0.009","1370.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H11 F4 N5 O S8 -","- C23 F4 N5 O S8 -","- C46 F8 N10 O2 S16 -","2","1","","Ono, Go; Terao, Hiroshi; Higuchi, Saburo; Sugawara, Tadashi; Izuoka, Akira; Mochida, Tomoyuki","One-dimensional double chain composed of carbamoylmethylthio-substituted TTF-based donor in ion radical salt","Journal of Materials Chemistry","2000","10","10","2277","","10.1039/b004557h","","","1.54178","CuKα","","","0.0725","","","0.0765","","","","","1.797","1.797","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204006","5.1393","0.0006","6.363","0.001","11.293","0.001","95.65","0.01","96.874","0.009","92.786","0.01","364.18","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","N2H5CoPO","hydrazinium cobalt phosphate","","- Co2 H6 N2 O8 P2 -","- Co2 H6 N2 O8 P2 -","- Co4 H12 N4 O16 P4 -","2","1","","Ekambaram, Sambandan; Sevov, Slavi C.","Layered cobalt phosphate grafted with hydrazinium ligands: Co2(PO4)(H2PO4)N2H5","Journal of Materials Chemistry","2000","10","11","2522","","10.1039/b004753h","","","0.71073","MoKα","","0.0487","0.0457","","","0.1385","0.1429","","","","","","1.112","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204007","17.3514","0.0006","9.5075","0.0003","9.8065","0.0003","90","","102.682","0.002","90","","1578.3","0.09","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C2 H10 N O6 P1.5 Zn -","- C2 H10 N O6 P1.5 Zn -","- C16 H80 N8 O48 P12 Zn8 -","8","1","","Ayi, Ayi A.; Choudhury, Amitava; Natarajan, Srinivasan; Rao, C. N. R.","Solution-mediated synthesis of a three-dimensional zinc phosphate in the presence of a monoamine","Journal of Materials Chemistry","2000","10","11","2606","","10.1039/b004972g","","","0.71073","MoKα","","0.0345","0.0266","","0.0737","0.0706","","","","1.051","1.087","1.087","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204008","16.778","0.006","14.757","0.004","5.851","0.003","90","","90","","90","","1448.7","1","293","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H6 N S2 -","- C7 H6 N S2 -","- C56 H48 N8 S16 -","8","1","","McManus, Gordon D.; Rawson, Jeremy M.; Feeder, Neil; Palacio, Fernando; Oliete, Patricia","Structure and magnetic properties of a sulfur‒nitrogen radical, methylbenzodithiazolyl","Journal of Materials Chemistry","2000","10","9","2001","","10.1039/b004992l","","","0.71069","MoKα","","0.0823","0.0523","","0.1315","0.1153","","","","1.029","1.108","1.108","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204009","5.2016","0.0004","13.6024","0.0011","17.2394","0.0013","97.869","0.002","93.302","0.002","91.828","0.002","1205.29","0.16","298","","298","","","","","","","","hydrothermal reaction","6","P -1","-P 1","2","","","","- C6 H26 N2 O18.94 P4 Zn4 -","- C6 H18 N2 O18.93 P4 Zn4 -","- C12 H36 N4 O37.86 P8 Zn8 -","2","1","","Rodgers, Jennifer A.; Harrison, William T. A.","H3N(CH2)6NH3·Zn4(PO4)2(HPO4)2·3H2O: a novel three-dimensional zinc phosphate framework containing 5- and 20-rings","Journal of Materials Chemistry","2000","10","12","2853","","10.1039/b004994h","","","0.71073","MoKα","","","0.0436","","","0.0535","","","","","1.0589","1.0589","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204023","25.495","0.002","9.3495","0.0007","15.859","0.001","89","","89","","90","","3779.1","0.5","198.2","","","","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C34 H28 Mn N8 S8 -","- C34 H28 Mn N8 S8 -","- C136 H112 Mn4 N32 S32 -","4","","","Ken-ichi Sugiura; Kantaro Ushiroda; Mitchell T. Johnson; Joel S. Miller; Yoshiteru Sakata","Ferrimagnetic ordering of a methylthio-substitutedplanar porphyrin based electron transfer salt, octakis(2,3,7,8,12,13,17,18-methylthio)porphyrinatomanganese(III)tetracyanoethanide","J. Mater. Chem.","2000","10","11","2507","2514","10.1039/b006261h","","","0.7107","MoKα","","","0.0561","","","","0.0634","","","","","","1.856","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204031","14.49","0.002","8.2086","0.0008","21.994","0.003","90","","96.05","0.012","90","","2601.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 I N2 O3 -","- C26 H21 I N2 O3 -","- C104 H84 I4 N8 O12 -","4","1","","Wang, Xiao-Mei; Zhou, Yu-Fang; Yu, Wen-Tao; Wang, Chun; Fang, Qi; Jiang, Min-Hua; Lei, Hong; Wang, He-Zhou","Two-photon pumped lasing stilbene-type chromophores containing various terminal donor groups: relationship between lasing efficiency and intramolecular charge transfer","Journal of Materials Chemistry","2000","10","12","2698","","10.1039/b006764o","","","0.71073","MoKα","","0.1151","0.0629","","","0.1652","0.1991","","","","","","1.027","","","","has coordinates,has disorder","180371","2020-10-21","18:00:00",""
"7204032","21.438","0.0012","14.9682","0.0011","14.0446","0.001","90","","119.257","0.004","90","","3931.9","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H27 I N2 O2 -","- C18 H27 I N2 O1.5 -","- C144 H216 I8 N16 O12 -","8","1","","Wang, Xiao-Mei; Zhou, Yu-Fang; Yu, Wen-Tao; Wang, Chun; Fang, Qi; Jiang, Min-Hua; Lei, Hong; Wang, He-Zhou","Two-photon pumped lasing stilbene-type chromophores containing various terminal donor groups: relationship between lasing efficiency and intramolecular charge transfer","Journal of Materials Chemistry","2000","10","12","2698","","10.1039/b006764o","","","0.71073","MoKα","","0.0709","0.0451","","","0.1077","0.124","","","","","","1.028","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204033","4.978","0.003","12","0.01","8.189","0.006","90","","91.97","0.03","90","","488.9","0.6","160","","293","","","","","","","","Aldrich, Lancaster","6","P 1 21/m 1","-P 2yb","11","","Aluminium fluoro ethylenediphosphonate hydrate","","- C2 H4 Al2 F2 O9 P2 -","- C2 H4 Al2 F2 O9 P2 -","- C4 H8 Al4 F4 O18 P4 -","2","0.5","","Harvey, Howard G.; Teat, Simon J.; Attfield, Martin P.","Al2[O3PC2H4PO3](H2O)2F2·H2O: a novel aluminium diphosphonate","Journal of Materials Chemistry","2000","10","12","2632","","10.1039/b006851i","","","0.6942","DaresburySynchrotronradiationsource","","","0.1043","","","","0.107","","","","","","1.0801","","","","has coordinates","288252","2023-12-12","14:26:25",""
"7204917","5.3361","0.0006","8.765","0.0008","14.952","0.001","90","","98.871","0.008","90","","690.95","0.11","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Phenazine fumaric acid","dibenzopyrazine trans-2-butenedioc acid","","- C16 H12 N2 O4 -","- C16 H12 N2 O4 -","- C32 H24 N4 O8 -","2","0.5","","Batchelor, Elaine; Klinowski, Jacek; Jones, William","Crystal engineering using co‐crystallisation of phenazine with dicarboxylic acids","Journal of Materials Chemistry","2000","10","4","839","","10.1039/a908214j","","","0.71069","MoKα","","0.0468","0.034","","","0.0918","0.1011","","","","","","1.043","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204918","26.833","0.026","7.095","0.004","19.613","0.027","90","","127.46","0.07","90","","2964","6","295","2","295","2","","","","","","","Aldrich","4","C 1 2/c 1","-C 2yc","15","Phenazine mesaconic acid","dibenzopyrazine trans-2-methyl-2-butenedioic acid","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C136 H112 N16 O32 -","8","1","","Batchelor, Elaine; Klinowski, Jacek; Jones, William","Crystal engineering using co‐crystallisation of phenazine with dicarboxylic acids","Journal of Materials Chemistry","2000","10","4","839","","10.1039/a908214j","","","0.71069","MoKα","","0.0799","0.0407","","0.1183","0.101","","","","1.014","1.085","1.085","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204919","5.513","0.002","6.733","0.002","13.026","0.007","95.32","0.03","99.39","0.04","100.24","0.03","465.7","0.3","295","2","295","2","","","","","","","Sigma-Aldrich Company Ltd.","4","P -1","-P 1","2","Phenazine bis(maleic acid)","dibenzopyrazine bis(cis-2-butenedioic acid)","","- C20 H16 N2 O8 -","- C20 H16 N2 O8 -","- C20 H16 N2 O8 -","1","0.5","","Batchelor, Elaine; Klinowski, Jacek; Jones, William","Crystal engineering using co‐crystallisation of phenazine with dicarboxylic acids","Journal of Materials Chemistry","2000","10","4","839","","10.1039/a908214j","","","0.71069","MoKα","","0.046","0.0339","","0.0986","0.0887","","","","1.005","1.002","1.002","","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204920","6.679","0.0009","18.66","0.002","8.933","0.001","90","","105.13","0.02","90","","1074.7","0.2","295","2","295","2","","","","","","","Sigma-Aldrich Company Ltd.","4","P 1 21/n 1","-P 2yn","14","Phenazine bis (citraconic acid)","dibenzopyrazine bis(cis-2-methyl-2-butenedioic acid)","","- C11 H10 N O4 -","- C11 H10 N O4 -","- C44 H40 N4 O16 -","4","1","","Batchelor, Elaine; Klinowski, Jacek; Jones, William","Crystal engineering using co‐crystallisation of phenazine with dicarboxylic acids","Journal of Materials Chemistry","2000","10","4","839","","10.1039/a908214j","","","0.71069","MoKα","","0.1091","0.0393","","0.1262","0.0867","","","","0.926","0.963","0.963","","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204921","5.2792","0.0004","9.057","0.001","15.054","0.001","90","","99.141","0.007","90","","710.65","0.11","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Phenazine succinic acid","dibenzopyrazine butanedioic acid","","- C8 H7 N O2 -","- C8 H7 N O2 -","- C32 H28 N4 O8 -","4","1","","Batchelor, Elaine; Klinowski, Jacek; Jones, William","Crystal engineering using co‐crystallisation of phenazine with dicarboxylic acids","Journal of Materials Chemistry","2000","10","4","839","","10.1039/a908214j","","","0.71069","MoKα","","0.0456","0.0347","","","0.1011","0.1366","","","","","","1.211","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204922","5.6755","0.0005","9.997","0.002","10.866","0.001","116.611","0.01","95.117","0.011","90.044","0.01","548.44","0.14","295","2","295","2","","","","","","","","4","P -1","-P 1","2","Phenazine bis(glutaric acid)","dibenzopyrazine bis(pentanedioic acid)","","- C11 H12 N O4 -","- C11 H12 N O4 -","- C22 H24 N2 O8 -","2","1","","Batchelor, Elaine; Klinowski, Jacek; Jones, William","Crystal engineering using co‐crystallisation of phenazine with dicarboxylic acids","Journal of Materials Chemistry","2000","10","4","839","","10.1039/a908214j","","","0.71069","MoKα","","0.1099","0.0463","","","0.1078","0.1319","","","","","","0.984","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204923","27.99","0.003","7.946","0.002","13.357","0.001","90","","103.415","0.009","90","","2889.7","0.8","297","","297","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C52 H36 As F6 N4 O S18 -","- C52 H36 As0.5 F6 N4 O S18 -","- C104 H72 As F12 N8 O2 S36 -","2","0.5","","Uruichi, Mikio; Yakushi, Kyuya; Yamashita, Yoshiro","Optical properties and metal‒insulator transitions in organic metals (BEDT-ATD)2X(solvent) (X = PF6, AsF6, BF4; solvent = THF, DHF, DO) [BEDT-ATD = 4,11-bis(4',5'-ethylenedithio-1',3'-dithiol-2'-ylidene)-4,11-dihydroanthra[2,3-c][1,2,5]thiadiazole]","Journal of Materials Chemistry","2000","10","12","2716","","10.1039/b002904l","","","0.7107","MoKα","","","0.062","","","0.073","","","","","1.728","1.728","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204924","27.67","0.01","7.601","0.001","13.342","0.003","90","","102.05","0.03","90","","2744.3","1.3","90","","90","","","","","","","","","7","P 1 a 1","P -2ya","7","","","","- C52 H36 B F4 N4 O S18 -","- C52 H36 B F4 N4 O S18 -","- C104 H72 B2 F8 N8 O2 S36 -","2","1","","Uruichi, Mikio; Yakushi, Kyuya; Yamashita, Yoshiro","Optical properties and metal‒insulator transitions in organic metals (BEDT-ATD)2X(solvent) (X = PF6, AsF6, BF4; solvent = THF, DHF, DO) [BEDT-ATD = 4,11-bis(4',5'-ethylenedithio-1',3'-dithiol-2'-ylidene)-4,11-dihydroanthra[2,3-c][1,2,5]thiadiazole]","Journal of Materials Chemistry","2000","10","12","2716","","10.1039/b002904l","","","0.7107","MoKα","","","0.0805","","","0.0847","","","","","2.249","2.249","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204925","27.78","0.01","7.826","0.001","13.346","0.003","90","","101.99","0.02","90","","2838.2","1.3","300","","300","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C52 H36 B F4 N4 O S18 -","- C52 H36 B0.5 F4 N4 O S18 -","- C104 H72 B F8 N8 O2 S36 -","2","0.5","","Uruichi, Mikio; Yakushi, Kyuya; Yamashita, Yoshiro","Optical properties and metal‒insulator transitions in organic metals (BEDT-ATD)2X(solvent) (X = PF6, AsF6, BF4; solvent = THF, DHF, DO) [BEDT-ATD = 4,11-bis(4',5'-ethylenedithio-1',3'-dithiol-2'-ylidene)-4,11-dihydroanthra[2,3-c][1,2,5]thiadiazole]","Journal of Materials Chemistry","2000","10","12","2716","","10.1039/b002904l","","","0.7107","MoKα","","","0.105","","","7654360","","","","","194189","194189","","","","","has coordinates","195719","2020-10-21","18:00:00",""
"7204926","27.866","0.001","7.926","0.001","13.3035","0.0006","90","","103.59","0.004","90","","2856","0.4","297","","297","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C52 H34 F6 N4 O P S18 -","- C52 H36 F6 N4 O P0.5 S18 -","- C104 H72 F12 N8 O2 P S36 -","2","0.5","","Uruichi, Mikio; Yakushi, Kyuya; Yamashita, Yoshiro","Optical properties and metal‒insulator transitions in organic metals (BEDT-ATD)2X(solvent) (X = PF6, AsF6, BF4; solvent = THF, DHF, DO) [BEDT-ATD = 4,11-bis(4',5'-ethylenedithio-1',3'-dithiol-2'-ylidene)-4,11-dihydroanthra[2,3-c][1,2,5]thiadiazole]","Journal of Materials Chemistry","2000","10","12","2716","","10.1039/b002904l","","","0.7107","MoKα","","","0.0773","","","0.1034","","","","","2.455","2.455","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204927","27.879","0.005","7.954","0.006","13.337","0.002","90","","103.61","0.01","90","","2874","2","296","","296","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C51 H34 F6 N4 O2 P S18 -","- C50 H36 F6 N4 O P0.5 S18 -","- C100 H72 F12 N8 O2 P S36 -","2","0.5","","Uruichi, Mikio; Yakushi, Kyuya; Yamashita, Yoshiro","Optical properties and metal‒insulator transitions in organic metals (BEDT-ATD)2X(solvent) (X = PF6, AsF6, BF4; solvent = THF, DHF, DO) [BEDT-ATD = 4,11-bis(4',5'-ethylenedithio-1',3'-dithiol-2'-ylidene)-4,11-dihydroanthra[2,3-c][1,2,5]thiadiazole]","Journal of Materials Chemistry","2000","10","12","2716","","10.1039/b002904l","","","0.7107","MoKα","","","0.0952","","","0.1175","","","","","2.344","2.344","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204928","27.665","0.002","7.781","0.002","13.3065","0.0007","90","","103.709","0.005","90","","2782.8","0.8","100","","100","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C52 H36 F6 N4 O P S18 -","- C52 H36 F6 N4 O2 P0.5 S18 -","- C104 H72 F12 N8 O4 P S36 -","2","0.5","","Uruichi, Mikio; Yakushi, Kyuya; Yamashita, Yoshiro","Optical properties and metal‒insulator transitions in organic metals (BEDT-ATD)2X(solvent) (X = PF6, AsF6, BF4; solvent = THF, DHF, DO) [BEDT-ATD = 4,11-bis(4',5'-ethylenedithio-1',3'-dithiol-2'-ylidene)-4,11-dihydroanthra[2,3-c][1,2,5]thiadiazole]","Journal of Materials Chemistry","2000","10","12","2716","","10.1039/b002904l","","","0.7107","MoKα","","","0.0752","","","0.0929","","","","","2.812","2.812","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204929","27.972","0.003","7.934","0.002","13.366","0.001","90","","102.931","0.008","90","","2891.1","0.8","297","","297","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C52 H34 F6 N4 O P S18 -","- C52 H36 F6 N4 O P0.5 S18 -","- C104 H72 F12 N8 O2 P S36 -","2","0.5","","Uruichi, Mikio; Yakushi, Kyuya; Yamashita, Yoshiro","Optical properties and metal‒insulator transitions in organic metals (BEDT-ATD)2X(solvent) (X = PF6, AsF6, BF4; solvent = THF, DHF, DO) [BEDT-ATD = 4,11-bis(4',5'-ethylenedithio-1',3'-dithiol-2'-ylidene)-4,11-dihydroanthra[2,3-c][1,2,5]thiadiazole]","Journal of Materials Chemistry","2000","10","12","2716","","10.1039/b002904l","","","0.7107","MoKα","","","0.0783","","","0.1031","","","","","2.132","2.132","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204930","27.712","0.002","7.787","0.002","13.3297","0.0009","90","","103.888","0.006","90","","2792.4","0.8","75","","75","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C52 H36 As F6 N4 O S18 -","- C52 H36 As0.5 F6 N4 O S18 -","- C104 H72 As F12 N8 O2 S36 -","2","0.5","","Uruichi, Mikio; Yakushi, Kyuya; Yamashita, Yoshiro","Optical properties and metal‒insulator transitions in organic metals (BEDT-ATD)2X(solvent) (X = PF6, AsF6, BF4; solvent = THF, DHF, DO) [BEDT-ATD = 4,11-bis(4',5'-ethylenedithio-1',3'-dithiol-2'-ylidene)-4,11-dihydroanthra[2,3-c][1,2,5]thiadiazole]","Journal of Materials Chemistry","2000","10","12","2716","","10.1039/b002904l","","","0.7107","MoKα","","","0.0702","","","0.0925","","","","","2.283","2.283","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215777","9.893","0.002","10.366","0.002","10.379","0.002","102.062","0.017","105.681","0.017","103.638","0.017","952.6","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H24 N2 O3 Si -","- C18 H24 N2 O3 Si -","- C36 H48 N4 O6 Si2 -","2","1","","Bellachioma, Gianfranco; Castrica, Luca; Fringuelli, Francesco; Pizzo, Ferdinando; Vaccaro, Luigi","Catalyst- and solvent-free conditions as an environmentally benign approach to 4-aryl-3-cyano-hexahydro-4H-1,2-benzoxazine-2-oxides","Green Chemistry","2008","10","3","327","","10.1039/b712858d","","","0.71073","MoKα","","0.2485","0.0409","","","0.055","0.0772","","","","","","0.876","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215778","14.092","0.003","8.462","0.003","11.276","0.003","90","","96.819","0.016","90","","1335.1","0.7","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C60 H64 N8 O8 -","4","1","","Bellachioma, Gianfranco; Castrica, Luca; Fringuelli, Francesco; Pizzo, Ferdinando; Vaccaro, Luigi","Catalyst- and solvent-free conditions as an environmentally benign approach to 4-aryl-3-cyano-hexahydro-4H-1,2-benzoxazine-2-oxides","Green Chemistry","2008","10","3","327","","10.1039/b712858d","","","0.71073","MoKα","","0.1538","0.0467","","","0.0535","0.0826","","","","","","0.809","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7221038","5.771","","5.7801","","8.164","","90","","90.2","","90","","272.325","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Sr2 Ho Ru O6","","- Ho O6 Ru Sr2 -","- Ho O6 Ru Sr2 -","- Ho2 O12 Ru2 Sr4 -","2","0.5","","Doi, Y.; Hinatsu, Y.; Shimojo, Y.; Oikawa, K.; Morii, Y.","Magnetic and neutron diffraction study on the ordered perovskite Sr2 Ho Ru O6","Journal of Materials Chemistry","2000","10","","797","800","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221041","6.807","","11.714","","12.665","","90","","101.6","","90","","989.245","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Cs (Nb6 Cl10 O2) Cl2","","- Cl12 Cs Nb6 O2 -","- Cl12 Cs0.992 Nb6 O2 -","- Cl24 Cs1.984 Nb12 O4 -","2","0.5","","Gulo, F.; Perrin, C.","The crystal structure of Cs Nb6 Cl12 O2, a novel niobium cluster oxychloride with interconnected Nb6 Cl14 O4 units","Journal of Materials Chemistry","2000","10","","1721","1724","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221043","3.8495","","3.8495","","15.3927","","90","","90","","90","","228.099","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Cs La2 (Ti2 Nb O10)","","- Cs La2 Nb O10 Ti2 -","- Cs La2 Nb O10 Ti2 -","- Cs La2 Nb O10 Ti2 -","1","0.0625","","Hong, Y.-S.; Kim, S.-J.; Choy, J.-H.","B-site cation arrangement and crystal structure of layered perovskite compounds Cs Ln2 Ti2 Nb O10 (Ln = La, Pr, Nd, Sm) and CsCa La Ti Nb2 O10","Journal of Materials Chemistry","2000","10","","1209","1214","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221044","3.869","","3.869","","15.235","","90","","90","","90","","228.055","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Cs (Ca La) (Ti Nb2 O10)","","- Ca Cs La Nb2 O10 Ti -","- Ca Cs La Nb2 O10 Ti -","- Ca Cs La Nb2 O10 Ti -","1","0.0625","","Hong, Y.-S.; Kim, S.-J.; Choy, J.-H.","B-site cation arrangement and crystal structure of layered perovskite compounds Cs Ln2 Ti2 Nb O10 (Ln = La, Pr, Nd, Sm) and Cs Ca La Ti Nb2 O10","Journal of Materials Chemistry","2000","10","","1209","1214","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221045","3.8376","","3.8376","","15.3015","","90","","90","","90","","225.348","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Cs Pr2 (Ti2 Nb O10)","","- Cs Nb O10 Pr2 Ti2 -","- Cs Nb O10 Pr2 Ti2 -","- Cs Nb O10 Pr2 Ti2 -","1","0.0625","","Hong, Y.-S.; Kim, S.-J.; Choy, J.-H.","B-site cation arrangement and crystal structure of layered perovskite compounds Cs Ln2 Ti2 Nb O10 (Ln = La, Pr, Nd, Sm) and Cs Ca La Ti Nb2 O10","Journal of Materials Chemistry","2000","10","","1209","1214","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221046","3.8319","","3.8319","","15.2764","","90","","90","","90","","224.31","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Cs Nd2 (Ti2 Nb O10)","","- Cs Nb Nd2 O10 Ti2 -","- Cs Nb Nd2 O10 Ti2 -","- Cs Nb Nd2 O10 Ti2 -","1","0.0625","","Hong, Y.-S.; Kim, S.-J.; Choy, J.-H.","B-site cation arrangement and crystal structure of layered perovskite compounds Cs Ln2 Ti2 Nb O10 (Ln = La, Pr, Nd, Sm) and Cs Ca La Ti Nb2 O10","Journal of Materials Chemistry","2000","10","","1209","1214","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221047","3.8195","","3.8195","","15.2371","","90","","90","","90","","222.288","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Cs Sm2 (Ti2 Nb O10)","","- Cs Nb O10 Sm2 Ti2 -","- Cs Nb O10 Sm2 Ti2 -","- Cs Nb O10 Sm2 Ti2 -","1","0.0625","","Hong, Y.-S.; Kim, S.-J.; Choy, J.-H.","B-site cation arrangement and crystal structure of layered perovskite compounds Cs Ln2 Ti2 Nb O10 (Ln = La, Pr, Nd, Sm) and Cs Ca La Ti Nb2 O10","Journal of Materials Chemistry","2000","10","","1209","1214","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221067","15.875","","15.875","","20.752","","90","","90","","120","","4529.16","","","","","","","","","","","","","2","R 3 :H","R 3","146","","H3 (P Mo12 O40)","","- Mo12 P -","- Mo12 P -","- Mo72 P6 -","6","0.666667","","Marosi, L.; Escalona Platero, E.; Cifre, J.; Otero Arean, C.","Thermal dehydration of H3+x P Vx M12-x O40 . y(H2 O) Keggin type heteropolyacids; formation, thermal stability and structure of the anhydrous acids H3 P M12 O40, of the corresponding anhydrides P M12 O38.5 and of a novel trihydrate H3 P W12 O40","Journal of Materials Chemistry","2000","10","","1949","1955","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221068","11.75","","11.75","","11.75","","90","","90","","90","","1622.23","","","","","","","","","","","","","4","P n -3 m :2","-P 4bc 2bc 3","224","","H3 (P W12 O40) (H2 O)3","","- H9 O43 P W12 -","- O43 P W12 -","- O86 P2 W24 -","2","0.0416667","","Marosi, L.; Otero Arean, C.; Escalona Platero, E.; Cifre, J.","Thermal dehydration of H3+x P Vx M12-x O40 . y(H2 O) Keggin type heteropolyacids; formation, thermal stability and structure of the anhydrous acids H3 P M12 O40, of the corresponding anhydrides P M12 O38.5 and of a novel trihydrate H3 P W12 O40","Journal of Materials Chemistry","2000","10","","1949","1955","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221069","16.5779","","9.8223","","13.8562","","90","","90","","90","","2256.25","","","","","","","","","","","","","7","P n a 21","P 2c -2n","33","","(Ga16 P16 O60 (O H)2 F6 O4) (H2 ((C H3)2 N) (C H2)3 (N (C H3)2))4","","- C28 H82 F6 Ga16 N8 O66 P16 -","- C28 F6 Ga16 N8 O66 P16 -","- C28 F6 Ga16 N8 O66 P16 -","1","0.25","","Matijasic, A.; Patarin, J.; Paillaud, J.L.","Synthesis, characterisation and structure determination of Mu-15: anew fluorogallophosphate with fluoride as a specific template of the D4R units","Journal of Materials Chemistry","2000","10","","1345","1351","","","","","","","","","","","","","","","","","","","","","","has coordinates","141047","2020-10-21","18:00:00",""
"7221070","8.608","","12.215","","8.929","","90","","90","","90.76","","938.772","","","","","","","","","","","","","4","P 1 1 21/n","-P 2n","14","","Li3 Fe2 (As O4)3","","- As3 Fe2 Li3 O12 -","- As3 Fe2 Li3 O12 -","- As12 Fe8 Li12 O48 -","4","1","","Mesa, J.L.; Moreno, N.O.; Goni, A.; Brandl, A.L.; Barberis, G.E.; Rojo, T.","Structure and magnetic properties of Li3 Fe2 (As O4)3-x (P O4)x (x=0, 1, 1.5, 2): two sublattice weak ferromagnets","Journal of Materials Chemistry","2000","10","","2779","2785","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221071","15.777","","4.1669","","17.358","","90","","99.249","","90","","1126.3","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","K0.66 Sn4.82 Bi11.18 Se22","","- Bi11.18 K0.66 Se22 Sn4.82 -","- Bi11.18 K0.66 Se22 Sn4.82 -","- Bi11.18 K0.66 Se22 Sn4.82 -","1","0.25","","Mrotzek, A.; Chung, D.-Y.; Hogan, T.; Kanatzidis, M.G.","Structure and thermoelectric properties of the new quaternary tin selenide K1-x Sn5-x Bi11+x Se22","Journal of Materials Chemistry","2000","10","","1667","1672","","","","","","","","","","","","","","","","","","","","","","has coordinates","141087","2020-10-21","18:00:00",""
"7221080","8.1379","","8.1379","","8.1379","","90","","90","","90","","538.936","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Li2 Co Mn3 O8","","- Co Li2 Mn3 O8 -","- Co Li2 Mn3 O8 -","- Co4 Li8 Mn12 O32 -","4","0.0208333","","Strobel, P.; Ibarra Palos, A.; Anne, M.; le Cras, F.","Structural, magnetic and lithium insertion properties of spinel-type Li2 Mn3 M O8 oxides (M= Mg, Co, Ni, Cu)","Journal of Materials Chemistry","2000","10","","429","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221081","8.1888","","8.1888","","8.1888","","90","","90","","90","","549.112","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Li2 Cu Mn3 O8","","- Cu Li2 Mn3 O8 -","- Cu Li2 Mn3 O8 -","- Cu4 Li8 Mn12 O32 -","4","0.0208333","","Strobel, P.; Ibarra Palos, A.; Anne, M.; le Cras, F.","Structural, magnetic and lithium insertion properties of spinel-type Li2 Mn3 M O8 oxides (M = Mg, Co, Ni, Cu)","Journal of Materials Chemistry","2000","10","","429","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221098","7.9734","","7.9734","","13.8178","","90","","90","","90","","878.468","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- Ba La2 Mn S5 -","- Ba La2 Mn S5 -","- Ba4 La8 Mn4 S20 -","4","0.125","","Wakeshima, M.; Hinatsu, Y.; Oikawa, K.; Shimojo, Y.; Morii, Y.","Crystal and magnetic structure of the antiferromagnetic manganese sulfide Ba La2 Mn S5 by powder neutron diffraction measurements","Journal of Materials Chemistry","2000","10","","2183","2185","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7221099","3.83382","","3.83382","","28.52129","","90","","90","","90","","419.211","","","","","","","","","","","","","6","I 4/m m m","-I 4 2","139","","Ru Sr2 (Gd1.3 Ce0.7) Cu2 O9.8","","- Ce0.7 Cu2 Gd1.3 O9.8 Ru Sr2 -","- Ce0.7 Cu2 Gd1.3 O9.8 Ru Sr2 -","- Ce1.4 Cu4 Gd2.6 O19.6 Ru2 Sr4 -","2","0.0625","","Knee, C.S.; Rainford, B.D.; Weller, M.T.","Crystal structure of the ferromagnetic superconductor Ru Sr2 (Gd1.3 Ce0.7) Cu2 O10-d by powder neutron diffraction","Journal of Materials Chemistry","2000","10","","2445","2447","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221100","3.84237","","3.84237","","28.58029","","90","","90","","90","","421.954","","","","","","","","","","","","","6","I 4/m m m","-I 4 2","139","","Ru Sr2 (Gd1.3 Ce0.7) Cu2 O9.74","","- Ce0.7 Cu2 Gd1.3 O9.74 Ru Sr2 -","- Ce0.7 Cu2 Gd1.3 O9.74 Ru Sr2 -","- Ce1.4 Cu4 Gd2.6 O19.48 Ru2 Sr4 -","2","0.0625","","Knee, C.S.; Rainford, B.D.; Weller, M.T.","Crystal structure of the ferromagnetic superconductor Ru Sr2 (Gd1.3 Ce0.7) Cu2 O10-d by powder neutron diffraction","Journal of Materials Chemistry","2000","10","","2445","2447","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221101","22.058","","3.6078","","9.3619","","90","","90","","90","","745.028","","","","","","","","","","","","","4","P c m n","-P 2n 2ac","62","","Na1.29 (V3 O8) (H2 O)0.64","","- H1.28 Na1.29 O8.64 V3 -","- Na1.29 O8.64 V3 -","- Na5.16 O34.56 V12 -","4","0.5","","Legagneur, V.; le Gal la Salle, A.; Verbaere, A.; Guyomard, D.; Piffard, Y.","New layered vanadium oxides My H1-y V3 O8 . n(H2 O) (M = Li, Na, K)obtained by oxidation of the precursor H2 V3 O8","Journal of Materials Chemistry","2000","10","","2805","2810","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221103","6.4655","","11.545","","12.9333","","90","","105.04","","90","","932.326","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Na0.5 K0.5) K (Sn Si3 O9) (H2 O)","","- H2 K1.5 Na0.5 O10 Si3 Sn -","- K1.5 Na0.5 O10 Si3 Sn -","- K6 Na2 O40 Si12 Sn4 -","4","1","","Lin, Z.; Rocha, J.; Pedrosa de Jesus, J.D.; Ferreira, A.","Synthesis and structure of a novel microporous framework stannosilicate","Journal of Materials Chemistry","2000","10","","1353","1356","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221104","11.739","","11.739","","11.739","","90","","90","","90","","1617.68","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Th Er2 F10 (H2 O)","","- Er2 F10 H2 O Th -","- Er2.001 F10 O Th0.999 -","- Er16.008 F80 O8 Th7.992 -","8","0.0416667","","le Berre, F.; Boucher, E.; Allain, M.; Courbion, G.","Synthesis, stability and zeolitic behaviour of delta-(A Ln3 F10).x(H2 O) and gamma-(Th Ln2 F10).(H2 O) phases (Ln=lanthanide)","Journal of Materials Chemistry","2000","10","","2578","2586","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7239668","7.6603","0.0004","30.664","0.0017","17.501","0.0011","90","","90.996","0.002","90","","4110.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H58 Cu N6 O7 -","- C42 H58 Cu N6 O7 -","- C168 H232 Cu4 N24 O28 -","4","1","","Khan, Huzaifa Yasir; Tabassum, Sartaj; Arjmand, Farukh","Evaluation of cytotoxic potential of structurally well-characterized RNA targeted ionic non-steroidal anti-inflammatory (NSAID) Cu(ii) & Zn(ii) DACH‒mefenamato drug conjugates against human cancer cell lines","RSC Advances","2020","10","1","166","178","10.1039/C9RA07464C","","","0.71073","MoKα","","0.0747","0.0653","","","0.1411","0.1493","","","","","","1.0594","","","","has coordinates","258009","2020-10-21","18:00:00",""
"7239720","13.1979","0.0016","11.4803","0.001","10.34","0.0009","90","","90","","90","","1566.7","0.3","200","0.1","200","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C22 H18 O4 -","- C22 H18 O4 -","- C88 H72 O16 -","4","1","","Shi, Yijun; Liu, Xuejing; Han, Ying; Yan, Peng; Bie, Fusheng; Cao, Han","Diels‒Alder reactions between cyclopentadiene analogs and benzoquinone in water and their application in the synthesis of polycyclic cage compounds","RSC Advances","2020","10","2","739","745","10.1039/C9RA09745G","","x-ray","0.71073","MoKα","","0.1202","0.0648","","","0.1069","0.1316","","","","","","1.039","","","","has coordinates","258049","2020-10-21","18:00:00",""
"7239721","10.8929","0.0006","8.8947","0.0005","15.66","0.0008","90","","90","","90","","1517.28","0.14","200","0.1","200","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H9 O2 -","- C11 H9 O2 -","- C88 H72 O16 -","8","1","","Shi, Yijun; Liu, Xuejing; Han, Ying; Yan, Peng; Bie, Fusheng; Cao, Han","Diels‒Alder reactions between cyclopentadiene analogs and benzoquinone in water and their application in the synthesis of polycyclic cage compounds","RSC Advances","2020","10","2","739","745","10.1039/C9RA09745G","","x-ray","0.71073","MoKα","","0.078","0.051","","","0.1046","0.1188","","","","","","1.038","","","","has coordinates","258049","2020-10-21","18:00:00",""
"7239722","9.2415","0.0004","11.3298","0.0005","8.8293","0.0004","90","","90.639","0.004","90","","924.41","0.07","199.98","0.1","199.98","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 O4 -","- C26 H22 O4 -","- C52 H44 O8 -","2","0.5","","Shi, Yijun; Liu, Xuejing; Han, Ying; Yan, Peng; Bie, Fusheng; Cao, Han","Diels‒Alder reactions between cyclopentadiene analogs and benzoquinone in water and their application in the synthesis of polycyclic cage compounds","RSC Advances","2020","10","2","739","745","10.1039/C9RA09745G","","x-ray","0.71073","MoKα","","0.0577","0.0455","","","0.1076","0.1152","","","","","","1.038","","","","has coordinates","258049","2020-10-21","18:00:00",""
"7239723","7.2797","0.0005","14.3957","0.0012","32.249","0.003","90","","90","","90","","3379.6","0.5","298","2","298.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C152 H176 N16 O24 -","8","1","","Rao, Jiarui; Liu, Liwei; Zeng, Dan; Wang, Mingwei; Xiang, Meng; Yang, Song","Antibiotic activities of propanolamine containing 1,4-benzoxazin-3-ones against phytopathogenic bacteria","RSC Advances","2020","10","2","682","688","10.1039/C9RA09639F","","","0.71073","MoKα","","0.1155","0.0549","","","0.1263","0.1557","","","","","","1.041","","","","has coordinates","258051","2020-10-21","18:00:00",""
"7239724","6.8844","0.0004","16.4488","0.0008","19.824","0.001","90","","98.802","0.002","90","","2218.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Gold(III) meso-(4-trifluoromethylphenyl)dipyrrin-bisphenolate","","- C28 H16 Au F3 N2 O2 -","- C28 H16 Au F3 N2 O2 -","- C112 H64 Au4 F12 N8 O8 -","4","1","","Thomas, Kolle E.; Desbois, Nicolas; Conradie, Jeanet; Teat, Simon J.; Gros, Claude P.; Ghosh, Abhik","Gold dipyrrin-bisphenolates: a combined experimental and DFT study of metal‒ligand interactions","RSC Advances","2020","10","1","533","540","10.1039/C9RA09228E","","","0.7288","synchrotron","","0.0462","0.0392","","","0.1106","0.1131","","","","","","1.332","","","","has coordinates","258010","2020-10-21","18:00:00",""
"7239731","8.8182","0.0005","10.111","0.0004","21.493","0.0009","90","","90","","90","","1916.33","0.15","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C7 H8 N2 O3 P Zn -","- C7 H8 N2 O3 P Zn -","- C56 H64 N16 O24 P8 Zn8 -","8","1","","Sun, Yayong; Wang, Fupeng; Fu, Yunlei; Chen, Chao; Wang, Xuanyi; Xiao, Zhenyu; Liu, Yanru; Xu, Jixiang; Li, Bin; Wang, Lei","Two new inorganic‒organic hybrid zinc phosphites and their derived ZnO/ZnS heterostructure for efficient photocatalytic hydrogen production","RSC Advances","2020","10","2","812","817","10.1039/C9RA06919D","","","0.71073","MoKα","","0.0442","0.0317","","","0.0714","0.0782","","","","","","1.03","","","","has coordinates,has disorder","258048","2020-10-21","18:00:00",""
"7239732","5.2103","0.0002","11.7634","0.0005","17.4168","0.0008","90","","99.315","0.004","90","","1053.41","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 N2 O3 P Zn -","- C8 H9 N2 O3 P Zn -","- C32 H36 N8 O12 P4 Zn4 -","4","1","","Sun, Yayong; Wang, Fupeng; Fu, Yunlei; Chen, Chao; Wang, Xuanyi; Xiao, Zhenyu; Liu, Yanru; Xu, Jixiang; Li, Bin; Wang, Lei","Two new inorganic‒organic hybrid zinc phosphites and their derived ZnO/ZnS heterostructure for efficient photocatalytic hydrogen production","RSC Advances","2020","10","2","812","817","10.1039/C9RA06919D","","","0.71073","MoKα","","0.1774","0.1745","","","0.4731","0.474","","","","","","1.156","","","","has coordinates","258048","2020-10-21","18:00:00",""
"7239744","9.8461","0.0012","9.2276","0.0011","10.1454","0.0012","90","","115.242","0.002","90","","833.75","0.17","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 S -","- C11 H7 S -","- C44 H28 S4 -","4","1","","Wang, Renjie; Liang, Yunfei; Liu, Gang; Pu, Shouzhi","Aggregation-induced emission compounds based on 9,10-diheteroarylanthracene and their applications in cell imaging","RSC Advances","2020","10","4","2170","2179","10.1039/C9RA09290K","","","0.71073","MoKα","","0.1733","0.1595","","","0.4885","0.5128","","","","","","2.478","","","","has coordinates","258037","2020-10-21","18:00:00",""
"7239745","9.3335","0.001","10.1341","0.0012","15.08","0.0018","90","","101.55","0.002","90","","1397.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 N2 O4 -","- C32 H32 N2 O4 -","- C64 H64 N4 O8 -","2","0.5","","Wang, Renjie; Liang, Yunfei; Liu, Gang; Pu, Shouzhi","Aggregation-induced emission compounds based on 9,10-diheteroarylanthracene and their applications in cell imaging","RSC Advances","2020","10","4","2170","2179","10.1039/C9RA09290K","","","0.71073","MoKα","","0.0803","0.0487","","","0.1205","0.1432","","","","","","1.015","","","","has coordinates","258037","2020-10-21","18:00:00",""
"7239746","18.3966","0.0019","11.3788","0.0012","7.4311","0.0008","90","","90","","90","","1555.6","0.3","296","2","296","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C22 H16 N2 -","- C22 H16 N2 -","- C88 H64 N8 -","4","0.5","","Wang, Renjie; Liang, Yunfei; Liu, Gang; Pu, Shouzhi","Aggregation-induced emission compounds based on 9,10-diheteroarylanthracene and their applications in cell imaging","RSC Advances","2020","10","4","2170","2179","10.1039/C9RA09290K","","","0.71073","MoKα","","0.0644","0.0449","","","0.1228","0.1433","","","","","","0.942","","","","has coordinates","258037","2020-10-21","18:00:00",""
"7239747","9.1632","0.0014","8.9491","0.0014","10.3448","0.0016","90","","111.284","0.002","90","","790.4","0.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 O2 -","- C22 H14 O2 -","- C44 H28 O4 -","2","0.5","","Wang, Renjie; Liang, Yunfei; Liu, Gang; Pu, Shouzhi","Aggregation-induced emission compounds based on 9,10-diheteroarylanthracene and their applications in cell imaging","RSC Advances","2020","10","4","2170","2179","10.1039/C9RA09290K","","","0.71073","MoKα","","0.0577","0.0421","","","0.1127","0.1248","","","","","","1.049","","","","has coordinates","258037","2020-10-21","18:00:00",""
"7239748","13.9788","0.0008","11.5307","0.0008","7.4437","0.0003","90","","90","","90","","1199.82","0.12","298","","298","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C13 H11 Cl Cu N3 -","- C13 H11 Cl Cu N3 -","- C52 H44 Cl4 Cu4 N12 -","4","0.5","","Shemchuk, Oleksii; Braga, Dario; Grepioni, Fabrizia; Turner, Raymond J.","Co-crystallization of antibacterials with inorganic salts: paving the way to activity enhancement","RSC Advances","2020","10","4","2146","2149","10.1039/C9RA10353H","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0184","2.47454","","","","","","","has coordinates","258038","2020-10-21","18:00:00",""
"7239749","6.069","0.004","8.501","0.002","12.518","0.003","90","","98","0.04","90","","639.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","thiophene....","","- C10 H12 N4 O2 S2 -","- C10 H12 N4 O2 S2 -","- C20 H24 N8 O4 S4 -","2","0.5","","Al-Zaqri, Nabil; Khatib, Tamer; Alsalme, Ali; Alharthi, Fahad A.; Zarrouk, Abdelkader; Warad, Ismail","Synthesis and amide imidic prototropic tautomerization in thiophene-2-carbohydrazide: XRD, DFT/HSA-computation, DNA-docking, TG and isoconversional kinetics via FWO and KAS models","RSC Advances","2020","10","4","2037","2048","10.1039/C9RA09831C","","","0.71073","MoKα","","0.05","0.0384","","","0.0859","0.0935","","","","","","1.062","","","","has coordinates","258036","2020-10-21","18:00:00",""
"7239755","3.6422","0.0009","21.241","0.004","15.081","0.003","90","","95.902","0.008","90","","1160.5","0.4","173","2","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 N12 O2 -","- C6 H12 N12 O2 -","- C24 H48 N48 O8 -","4","1","","Zhang, Jichuan; Wang, Zhenyuan; Hsieh, Yunhao; Wang, Binshen; Huang, Haifeng; Yang, Jun; Zhang, Jiaheng","A promising cation of 4-aminofurazan-3-carboxylic acid amidrazone in desensitizing energetic materials","RSC Advances","2020","10","5","2519","2525","10.1039/C9RA09555A","","","0.71073","MoKα","","0.1461","0.0918","","","0.2307","0.2745","","","","","","1.039","","","","has coordinates","258023","2020-10-21","18:00:00",""
"7239756","14.685","0.01","7.065","0.005","8.601","0.006","90","","93.627","0.015","90","","890.6","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H7 N10 O2 -","- C4 H7 N10 O2 -","- C16 H28 N40 O8 -","4","1","","Zhang, Jichuan; Wang, Zhenyuan; Hsieh, Yunhao; Wang, Binshen; Huang, Haifeng; Yang, Jun; Zhang, Jiaheng","A promising cation of 4-aminofurazan-3-carboxylic acid amidrazone in desensitizing energetic materials","RSC Advances","2020","10","5","2519","2525","10.1039/C9RA09555A","","","0.71073","MoKα","","0.0954","0.0744","","","0.1648","0.1776","","","","","","1.062","","","","has coordinates","258023","2020-10-21","18:00:00",""
"7239757","6.849","0.0011","11.5108","0.0019","22.982","0.004","90","","90","","90","","1811.8","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H9 N7 O5 -","- C3 H9 N7 O5 -","- C24 H72 N56 O40 -","8","1","","Zhang, Jichuan; Wang, Zhenyuan; Hsieh, Yunhao; Wang, Binshen; Huang, Haifeng; Yang, Jun; Zhang, Jiaheng","A promising cation of 4-aminofurazan-3-carboxylic acid amidrazone in desensitizing energetic materials","RSC Advances","2020","10","5","2519","2525","10.1039/C9RA09555A","","","0.71073","MoKα","","0.0471","0.0436","","","0.1115","0.1148","","","","","","1.126","","","","has coordinates","258023","2020-10-21","18:00:00",""
"7239758","6.8147","0.0006","14.324","0.0011","10.2906","0.0008","90","","103.859","0.003","90","","975.26","0.14","173","2","173","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C9 H14 N20 O5 -","- C9 H14 N20 O5 -","- C18 H28 N40 O10 -","2","1","","Zhang, Jichuan; Wang, Zhenyuan; Hsieh, Yunhao; Wang, Binshen; Huang, Haifeng; Yang, Jun; Zhang, Jiaheng","A promising cation of 4-aminofurazan-3-carboxylic acid amidrazone in desensitizing energetic materials","RSC Advances","2020","10","5","2519","2525","10.1039/C9RA09555A","","","0.71073","MoKα","","0.1157","0.0695","","","0.1495","0.1771","","","","","","1.023","","","","has coordinates","258023","2020-10-21","18:00:00",""
"7239760","9.471","0.01","13.021","0.006","19.887","0.006","77.83","0.02","81.76","0.04","87.25","0.03","2372","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H54 F2 N8 O0.2 -","- C58 H54 F2 N8 O0.2 -","- C116 H108 F4 N16 O0.4 -","2","1","","Guillon, Jean; Nim, Shweta; Moreau, Stéphane; Ronga, Luisa; Savrimoutou, Solène; Thivet, Elisabeth; Marchivie, Mathieu; Di Pietro, Attilio; Prasad, Rajendra; Le Borgne, Marc","Synthesis of new piperazinyl-pyrrolo[1,2-a]quinoxaline derivatives as inhibitors of Candida albicans multidrug transporters by a Buchwald‒Hartwig cross-coupling reaction","RSC Advances","2020","10","5","2915","2931","10.1039/C9RA09348F","","","1.5418","CuKα","","0.146","0.0944","","","0.2133","0.2411","","","","","","1.06","","","","has coordinates","258022","2020-10-21","18:00:00",""
"7239761","9.5233","0.0014","10.8011","0.0019","11.8823","0.0016","107.688","0.011","110.089","0.01","100.552","0.011","1035.6","0.3","133","2","133","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H24 N4 -","- C27 H24 N4 -","- C54 H48 N8 -","2","1","","Guillon, Jean; Nim, Shweta; Moreau, Stéphane; Ronga, Luisa; Savrimoutou, Solène; Thivet, Elisabeth; Marchivie, Mathieu; Di Pietro, Attilio; Prasad, Rajendra; Le Borgne, Marc","Synthesis of new piperazinyl-pyrrolo[1,2-a]quinoxaline derivatives as inhibitors of Candida albicans multidrug transporters by a Buchwald‒Hartwig cross-coupling reaction","RSC Advances","2020","10","5","2915","2931","10.1039/C9RA09348F","","","1.5418","CuKα","","0.0697","0.0624","","","0.1657","0.1778","","","","","","1.103","","","","has coordinates","258022","2020-10-21","18:00:00",""
"7239765","20.4048","0.0006","17.4839","0.0006","18.8696","0.0006","90","","93.682","0.002","90","","6717.9","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H34 B18 Co S10 -","- C16 H34 B18 Co S10 -","- C128 H272 B144 Co8 S80 -","8","1","","Stogniy, Marina Yu.; Kazheva, Olga N.; Chudak, Denis M.; Shilov, Gennady V.; Filippov, Oleg A.; Sivaev, Igor B.; Kravchenko, Andrey V.; Starodub, Vladimir A.; Buravov, Lev I.; Bregadze, Vladimir I.; Dyachenko, Oleg A.","Synthesis and study of C-substituted methylthio derivatives of cobalt bis(dicarbollide)","RSC Advances","2020","10","5","2887","2896","10.1039/C9RA08551C","","","0.71073","MoKα","","0.0525","0.0367","","","0.0832","0.0924","","","","","","1.041","","","","has coordinates","258024","2020-10-21","18:00:00",""
"7239788","9.5858","0.0003","18.8852","0.0006","10.9389","0.0004","90","","115.184","0.001","90","","1792.03","0.1","100","2","99.96","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 F6 N16 O10 -","- C26 H38 F6 N16 O10 -","- C52 H76 F12 N32 O20 -","2","0.5","","Sharma, Vishal R.; Mehmood, Arshad; Janesko, Benjamin G.; Simanek, Eric E.","Efficient syntheses of macrocycles ranging from 22‒28 atoms through spontaneous dimerization to yield bis-hydrazones","RSC Advances","2020","10","6","3217","3220","10.1039/C9RA08056B","","","0.71073","MoKα","","0.0631","0.0473","","","0.1096","0.1179","","","","","","1.017","","","","has coordinates","258056","2020-10-21","18:00:00",""
"7239789","24.515","0.01","8.492","0.004","25.298","0.01","90","","119.248","0.012","90","","4595","3","100","2","100.13","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H27 F3 N8 O6 -","- C16 H27 F3 N8 O6 -","- C128 H216 F24 N64 O48 -","8","2","","Sharma, Vishal R.; Mehmood, Arshad; Janesko, Benjamin G.; Simanek, Eric E.","Efficient syntheses of macrocycles ranging from 22‒28 atoms through spontaneous dimerization to yield bis-hydrazones","RSC Advances","2020","10","6","3217","3220","10.1039/C9RA08056B","","","0.71073","MoKα","","0.068","0.0536","","","0.1309","0.1421","","","","","","1.049","","","","has coordinates","258056","2020-10-21","18:00:00",""
"7239790","21.754","0.003","13.7241","0.0016","15.904","0.002","90","","100.156","0.003","90","","4673.8","1","100","2","100.02","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H23 F3 N8 O6 -","- C14 H23 F3 N8 O6 -","- C112 H184 F24 N64 O48 -","8","1","","Sharma, Vishal R.; Mehmood, Arshad; Janesko, Benjamin G.; Simanek, Eric E.","Efficient syntheses of macrocycles ranging from 22‒28 atoms through spontaneous dimerization to yield bis-hydrazones","RSC Advances","2020","10","6","3217","3220","10.1039/C9RA08056B","","","0.71073","MoKα","","0.0987","0.0841","","","0.223","0.2405","","","","","","1.029","","","","has coordinates","258056","2020-10-21","18:00:00",""
"7239791","8.3279","0.0004","15.8912","0.0009","16.9567","0.0009","98.047","0.002","96.401","0.002","98.061","0.002","2180.2","0.2","100","2","100.05","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H54 F6 N16 O11 -","- C33 H54 F6 N16 O11 -","- C66 H108 F12 N32 O22 -","2","1","","Sharma, Vishal R.; Mehmood, Arshad; Janesko, Benjamin G.; Simanek, Eric E.","Efficient syntheses of macrocycles ranging from 22‒28 atoms through spontaneous dimerization to yield bis-hydrazones","RSC Advances","2020","10","6","3217","3220","10.1039/C9RA08056B","","","0.71073","MoKα","","0.093","0.0822","","","0.2209","0.2303","","","","","","1.079","","","","has coordinates,has disorder","258056","2020-10-21","18:00:00",""
"7239792","10.022","0.0003","13.0296","0.0004","18.2777","0.0005","102.894","0.001","95.754","0.001","103.889","0.001","2228.51","0.11","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H56 F6 N16 O11 -","- C34 H56 F6 N16 O11 -","- C68 H112 F12 N32 O22 -","2","1","","Sharma, Vishal R.; Mehmood, Arshad; Janesko, Benjamin G.; Simanek, Eric E.","Efficient syntheses of macrocycles ranging from 22‒28 atoms through spontaneous dimerization to yield bis-hydrazones","RSC Advances","2020","10","6","3217","3220","10.1039/C9RA08056B","","","0.71073","MoKα","","0.0945","0.0793","","","0.2154","0.2318","","","","","","1.034","","","","has coordinates","258056","2020-10-21","18:00:00",""
"7239800","18.7428","0.0008","18.7428","0.0008","24.915","0.002","90","","90","","120","","7579.8","0.8","173","2","173.15","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C46 H55 N10 O15 Zn2 -","- C16 H10 O10 Zn2 -","- C144 H90 O90 Zn18 -","9","0.25","","Li, Qipeng; Qian, Jinjie; Du, Lin; Zhao, Qihua","Zinc-tetracarboxylate framework material with nano-cages and one-dimensional channels for excellent selective and effective adsorption of methyl blue dye","RSC Advances","2020","10","6","3539","3543","10.1039/C9RA08983G","","","0.71073","MoKα","","0.0359","0.0352","","","0.0873","0.0878","","","","","","1.062","","","","has coordinates","258052","2020-10-21","18:00:00",""
"7239801","28.128","0.004","15.312","0.002","14.6773","0.0019","90","","110.18","0.004","90","","5933.4","1.4","100","","100","","","","","","","","see text","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H52 N2 Si3 -","- C25 H52 N2 Si3 -","- C200 H416 N16 Si24 -","8","1","","Holzner, Richard; Reiter, Dominik; Frisch, Philipp; Inoue, Shigeyoshi","DMAP-stabilized bis(silyl)silylenes as versatile synthons for organosilicon compounds","RSC Advances","2020","10","6","3402","3406","10.1039/C9RA10628F","","x-ray","0.71073","MoKα","","0.1445","0.1217","","","0.2651","0.278","","","","","","1.172","","","","has coordinates,has disorder","258055","2020-10-21","18:00:00",""
"7239802","20.678","0.007","12.877","0.005","17.566","0.01","90","","120.067","0.01","90","","4048","3","100","","100","","","","","","","","see text","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H70 K Si3 -","- C38 H70 K Si3 -","- C152 H280 K4 Si12 -","4","0.5","","Holzner, Richard; Reiter, Dominik; Frisch, Philipp; Inoue, Shigeyoshi","DMAP-stabilized bis(silyl)silylenes as versatile synthons for organosilicon compounds","RSC Advances","2020","10","6","3402","3406","10.1039/C9RA10628F","","x-ray","0.71073","MoKα","","0.0341","0.0305","","","0.0855","0.0886","","","","","","1.04","","","","has coordinates","258055","2020-10-21","18:00:00",""
"7239803","11.977","0.0013","16.9418","0.0017","28.631","0.003","90","","90","","90","","5809.6","1.1","100","","100","","","","","","","","see text","4","P b c a","-P 2ac 2ab","61","","","","- C25 H52 N2 Si3 -","- C25 H52 N2 Si3 -","- C200 H416 N16 Si24 -","8","1","","Holzner, Richard; Reiter, Dominik; Frisch, Philipp; Inoue, Shigeyoshi","DMAP-stabilized bis(silyl)silylenes as versatile synthons for organosilicon compounds","RSC Advances","2020","10","6","3402","3406","10.1039/C9RA10628F","","x-ray","0.71073","MoKα","","0.0334","0.0289","","","0.0771","0.0802","","","","","","1.045","","","","has coordinates","258055","2020-10-21","18:00:00",""
"7239804","11.515","0.009","11.94","0.009","16.1","0.007","97.728","0.017","92.844","0.018","104.175","0.019","2119","2","100","","100","","","","","","","","see text","4","P -1","-P 1","2","","","","- C31 H73 N3 Si7 -","- C31 H73 N3 Si7 -","- C62 H146 N6 Si14 -","2","1","","Holzner, Richard; Reiter, Dominik; Frisch, Philipp; Inoue, Shigeyoshi","DMAP-stabilized bis(silyl)silylenes as versatile synthons for organosilicon compounds","RSC Advances","2020","10","6","3402","3406","10.1039/C9RA10628F","","x-ray","0.71073","MoKα","","0.0439","0.0402","","","0.0992","0.1016","","","","","","1.123","","","","has coordinates","258055","2020-10-21","18:00:00",""
"7239805","14.2747","0.0019","6.4197","0.0009","14.897","0.002","90","","105.303","0.009","90","","1316.7","0.3","170","","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H46 O6 -","- C30 H46 O6 -","- C60 H92 O12 -","2","1","","Wan, Jiang; Zang, Yi; Xiao, Dao-An; Li, Na; Li, Junmin; Jin, Ze-Xin; Chen, De-Lei; Xiong, Juan; Li, Jia; Hu, Jin-Feng","Stewartiacids A‒N, C-23 carboxylated triterpenoids from Chinese Stewartia and their inhibitory effects against ATP-citrate lyase and NF-κB","RSC Advances","2020","10","6","3343","3356","10.1039/C9RA09542J","","","1.34139","GaKα","","0.0866","0.0683","","","0.1556","0.1718","","","","","","1.061","","","","has coordinates","258054","2020-10-21","18:00:00",""
"7239806","8.0649","0.0006","11.3973","0.0008","32.416","0.002","90","","90","","90","","2979.6","0.4","170","2","169.98","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H50 O9 -","- C30 H50 O9 -","- C120 H200 O36 -","4","1","","Wan, Jiang; Zang, Yi; Xiao, Dao-An; Li, Na; Li, Junmin; Jin, Ze-Xin; Chen, De-Lei; Xiong, Juan; Li, Jia; Hu, Jin-Feng","Stewartiacids A‒N, C-23 carboxylated triterpenoids from Chinese Stewartia and their inhibitory effects against ATP-citrate lyase and NF-κB","RSC Advances","2020","10","6","3343","3356","10.1039/C9RA09542J","","","1.34139","GaKα","","0.1371","0.0949","","","0.2521","0.2937","","","","","","1.031","","","","has coordinates","258054","2020-10-21","18:00:00",""
"7239807","13.9664","0.0004","6.5552","0.0002","15.1284","0.0005","90","","104.366","0.002","90","","1341.73","0.07","170","2","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H46 O6 -","- C30 H46 O6 -","- C60 H92 O12 -","2","1","","Wan, Jiang; Zang, Yi; Xiao, Dao-An; Li, Na; Li, Junmin; Jin, Ze-Xin; Chen, De-Lei; Xiong, Juan; Li, Jia; Hu, Jin-Feng","Stewartiacids A‒N, C-23 carboxylated triterpenoids from Chinese Stewartia and their inhibitory effects against ATP-citrate lyase and NF-κB","RSC Advances","2020","10","6","3343","3356","10.1039/C9RA09542J","","","1.34139","GaKα","","0.0595","0.0534","","","0.1558","0.1613","","","","","","1.038","","","","has coordinates","258054","2020-10-21","18:00:00",""
"7239808","30.922","0.0006","13.9294","0.0003","14.7361","0.0003","90","","107.917","0.001","90","","6039.4","0.2","170","2","169.98","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C31 H52 O7 -","- C31 H52 O7 -","- C248 H416 O56 -","8","2","","Wan, Jiang; Zang, Yi; Xiao, Dao-An; Li, Na; Li, Junmin; Jin, Ze-Xin; Chen, De-Lei; Xiong, Juan; Li, Jia; Hu, Jin-Feng","Stewartiacids A‒N, C-23 carboxylated triterpenoids from Chinese Stewartia and their inhibitory effects against ATP-citrate lyase and NF-κB","RSC Advances","2020","10","6","3343","3356","10.1039/C9RA09542J","","","1.34139","GaKα","","0.0955","0.0875","","","0.2556","0.2669","","","","","","1.038","","","","has coordinates","258054","2020-10-21","18:00:00",""
"7239809","18.0826","0.0012","13.3216","0.0009","21.9623","0.0015","90","","90","","90","","5290.5","0.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C45 H39 La2 N9 O15 -","- C45 H39 La2 N9 O15 -","- C180 H156 La8 N36 O60 -","4","1","","Tshuma, Piwai; Makhubela, Banothile C. E.; Öhrström, Lars; Bourne, Susan A.; Chatterjee, Nabanita; Beas, Isaac N.; Darkwa, James; Mehlana, Gift","Cyclometalation of lanthanum(iii) based MOF for catalytic hydrogenation of carbon dioxide to formate","RSC Advances","2020","10","6","3593","3605","10.1039/C9RA09938G","","","0.71073","MoKα","","0.081","0.0542","","","0.1371","0.1532","","","","","","1.035","","","","has coordinates,has disorder","258053","2020-10-21","18:00:00",""
"7239810","24.322","0.003","24.322","0.003","21.069","0.003","90","","90","","120","","10794","2","110","2","110","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C168 H102 Cu6 N32 O24 -","- C168 H102 Cu6 N31.44 O24.78 -","- C504 H306 Cu18 N94.32 O74.34 -","3","0.166667","","Hossain, Sayed Muktar; Prakash, Ved; Mamidi, Prabhudutta; Chattopadhyay, Soma; Singh, Akhilesh Kumar","Pyrene-appended bipyridine hydrazone ligand as a turn-on sensor for Cu2+ and its bioimaging application","RSC Advances","2020","10","7","3646","3658","10.1039/C9RA09376A","","","1.54178","CuKα","","0.1435","0.076","","","0.1951","0.2487","","","","","","1.013","","","","has coordinates,has disorder","258091","2020-10-21","18:00:00",""
"7239829","8.5713","0.0006","31.375","0.002","11.2567","0.0008","90","","105.525","0.002","90","","2916.8","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H43 N O8 -","- C30 H43 N O8 -","- C120 H172 N4 O32 -","4","2","","Yu, Kun; Yang, Xinmei; Li, Ying; Cui, Xue; Liu, Bo; Yao, Qingqiang","Synthesis of cucurbitacin IIa derivatives with apoptosis-inducing capabilities in human cancer cells","RSC Advances","2020","10","7","3872","3881","10.1039/C9RA09113K","","","1.34139","GaKα","","0.0379","0.0354","","","0.0909","0.0931","","","","","","1.013","","","","has coordinates","258090","2020-10-21","18:00:00",""
"7239830","10.8304","0.0003","15.9589","0.0004","21.2922","0.0005","90","","90","","90","","3680.17","0.16","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H47 N3 O9 -","- C36 H47 N3 O9 -","- C144 H188 N12 O36 -","4","1","","Yu, Kun; Yang, Xinmei; Li, Ying; Cui, Xue; Liu, Bo; Yao, Qingqiang","Synthesis of cucurbitacin IIa derivatives with apoptosis-inducing capabilities in human cancer cells","RSC Advances","2020","10","7","3872","3881","10.1039/C9RA09113K","","","1.54178","CuKα","","0.0441","0.0434","","","0.1158","0.1166","","","","","","1.062","","","","has coordinates","258090","2020-10-21","18:00:00",""
"7239831","4.7849","0.0005","5.3125","0.0005","17.3017","0.0015","83.212","0.008","87.407","0.007","85.031","0.008","434.81","0.07","120.01","0.1","120.01","0.1","","","","","","","","4","P 1","P 1","1","","","","- C16 H23 N3 O6 -","- C16 H23 N3 O6 -","- C16 H23 N3 O6 -","1","1","","Mattsson, Ida; Sitdikov, Ruzal; Gunell, Andreas C. M.; Lahtinen, Manu; Saloranta-Simell, Tiina; Leino, Reko","Improved synthesis and application of conjugation-amenable polyols from d-mannose","RSC Advances","2020","10","7","3960","3966","10.1039/C9RA10378C","","x-ray","1.54184","CuKα","","0.0437","0.0365","","","0.0882","0.0922","","","","","","1.055","","","","has coordinates,has disorder","258092","2020-10-21","18:00:00",""
"7239844","14.005","0.003","22.005","0.004","23.006","0.005","90","","92.53","0.03","90","","7083","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H40 Cd3 N6 O12 -","- C62 H40 Cd3 N6 O12 -","- C248 H160 Cd12 N24 O48 -","4","0.5","","Zhou, Xiaojing; Guo, Xiaolei; Liu, Lili; Zhai, Haidong; Meng, Qingguo; Shi, Zhan; Tai, Xishi","Two d10 luminescent metal‒organic frameworks as dual functional luminescent sensors for (Fe3+,Cu2+) and 2,4,6-trinitrophenol (TNP) with high selectivity and sensitivity","RSC Advances","2020","10","8","4817","4824","10.1039/C9RA07709J","","","0.71073","MoKα","","0.0802","0.0564","","","0.1556","0.1681","","","","","","1.086","","","","has coordinates","258011","2020-10-21","18:00:00",""
"7239845","13.3539","0.0007","13.6334","0.0007","13.6928","0.0007","102.708","0.002","91.104","0.003","116.101","0.002","2164.6","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H54 N8 O14 Zn3 -","- C68 H54 N8 O14 Zn3 -","- C68 H54 N8 O14 Zn3 -","1","0.5","","Zhou, Xiaojing; Guo, Xiaolei; Liu, Lili; Zhai, Haidong; Meng, Qingguo; Shi, Zhan; Tai, Xishi","Two d10 luminescent metal‒organic frameworks as dual functional luminescent sensors for (Fe3+,Cu2+) and 2,4,6-trinitrophenol (TNP) with high selectivity and sensitivity","RSC Advances","2020","10","8","4817","4824","10.1039/C9RA07709J","","","0.71073","MoKα","","0.0844","0.0501","","","0.1141","0.1247","","","","","","1.085","","","","has coordinates","258011","2020-10-21","18:00:00",""
"7239846","26.31","0.0005","26.31","0.0005","26.31","0.0005","90","","90","","90","","18212.2","0.6","203","","203","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C359.42 H310.27 Cu48 O192 S44.98 -","- C376.858 H362.573 Cu48 O192 S44.4 -","- C376.858 H362.573 Cu48 O192 S44.4 -","1","0.00520833","","Morita, Masashi; Yonezu, Akira; Kusaka, Shinpei; Hori, Akihiro; Ma, Yunsheng; Matsuda, Ryotaro","Direct observation of dimethyl sulfide trapped by MOF proving efficient removal of sulfur impurities","RSC Advances","2020","10","8","4710","4714","10.1039/C9RA09702C","","x-ray","0.71073","MoKα","","0.0336","0.032","","","0.1195","0.1203","","","","","","1.298","","","","has coordinates,has disorder","258012","2020-10-21","18:00:00",""
"7239847","26.3518","0.0006","26.3518","0.0006","26.3518","0.0006","90","","90","","90","","18299.1","0.7","203","","203","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C6 H2 Cu O5 -","- C6 H2 Cu O5 -","- C288 H96 Cu48 O240 -","48","0.25","","Morita, Masashi; Yonezu, Akira; Kusaka, Shinpei; Hori, Akihiro; Ma, Yunsheng; Matsuda, Ryotaro","Direct observation of dimethyl sulfide trapped by MOF proving efficient removal of sulfur impurities","RSC Advances","2020","10","8","4710","4714","10.1039/C9RA09702C","","x-ray","0.71073","MoKα","","0.0322","0.0284","","","0.0907","0.0948","","","","","","1.079","","","","has coordinates","258012","2020-10-21","18:00:00",""
"7239848","26.2622","0.0002","26.2622","0.0002","26.2622","0.0002","90","","90","","90","","18113.1","0.2","203","","203","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C6 H2 Cu O4 -","- C6 H2 Cu O4 -","- C288 H96 Cu48 O192 -","48","0.25","","Morita, Masashi; Yonezu, Akira; Kusaka, Shinpei; Hori, Akihiro; Ma, Yunsheng; Matsuda, Ryotaro","Direct observation of dimethyl sulfide trapped by MOF proving efficient removal of sulfur impurities","RSC Advances","2020","10","8","4710","4714","10.1039/C9RA09702C","","x-ray","0.71073","MoKα","","0.0183","0.0175","","","0.0536","0.0538","","","","","","1.106","","","","has coordinates","258012","2020-10-21","18:00:00",""
"7239855","9.4607","0.0005","14.1404","0.0008","19.0776","0.0011","90","","99.517","0.001","90","","2517","0.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 Fe N14 O0 S2 -","- C44 H36 Fe N14 S2 -","- C88 H72 Fe2 N28 S4 -","2","0.5","","Shin, Jong Won; Jeong, Ah Rim; Jeong, Jong Hwa; Zenno, Hikaru; Hayami, Shinya; Min, Kil Sik","Two-dimensional square-grid iron(ii) coordination polymers showing anion-dependent spin crossover behavior","RSC Advances","2020","10","9","5040","5049","10.1039/C9RA09782A","","","0.71073","MoKα","","0.1337","0.0741","","","0.1874","0.2275","","","","","","0.989","","","","has coordinates","258095","2020-10-21","18:00:00",""
"7239856","18.847","0.004","14.005","0.003","19.343","0.004","90","","98.17","0.03","90","","5053.8","1.9","104","2","104","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 Fe N14 O0 Se2 -","- C44 H36 Fe N14 Se2 -","- C176 H144 Fe4 N56 Se8 -","4","1","","Shin, Jong Won; Jeong, Ah Rim; Jeong, Jong Hwa; Zenno, Hikaru; Hayami, Shinya; Min, Kil Sik","Two-dimensional square-grid iron(ii) coordination polymers showing anion-dependent spin crossover behavior","RSC Advances","2020","10","9","5040","5049","10.1039/C9RA09782A","","","0.75","synchrotron","","0.1401","0.1113","","","0.3629","0.3839","","","","","","1.368","","","","has coordinates","258095","2020-10-21","18:00:00",""
"7239857","9.622","0.0019","14.689","0.003","19.691","0.004","90","","99.73","0.03","90","","2743","1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H45 Fe N14 O3 Se2 -","- C46 H44 Fe N14 O3 Se2 -","- C92 H88 Fe2 N28 O6 Se4 -","2","0.5","","Shin, Jong Won; Jeong, Ah Rim; Jeong, Jong Hwa; Zenno, Hikaru; Hayami, Shinya; Min, Kil Sik","Two-dimensional square-grid iron(ii) coordination polymers showing anion-dependent spin crossover behavior","RSC Advances","2020","10","9","5040","5049","10.1039/C9RA09782A","","","0.8","synchrotron","","0.0883","0.0806","","","0.2648","0.2712","","","","","","1.065","","","","has coordinates","258095","2020-10-21","18:00:00",""
"7239858","7.8375","0.0003","8.2458","0.0003","14.5394","0.0007","87.176","0.004","74.562","0.004","73.335","0.004","867.31","0.07","150","","150","","","","","","","","from U of Wollongong","5","P -1","-P 1","2","","","","- C18 H16 N2 O5 S -","- C18 H16 N2 O5 S -","- C36 H32 N4 O10 S2 -","2","1","","Fares, Mohamed; McCosker, Patrick M.; Alsherbiny, Muhammad A.; Willis, Anthony C.; Clark, Timothy; Neyts, Johan; Jochmans, Dirk; Keller, Paul A.","Regioselective convergent synthesis of 2-arylidene thiazolo[3,2-a]pyrimidines as potential anti-chikungunya agents","RSC Advances","2020","10","9","5191","5195","10.1039/D0RA00257G","","x-ray","1.54184","CuKα","","0.0349","0.0343","","0.0885","0.0878","0.0885","","","","","","0.9978","","","","has coordinates","258096","2020-10-21","18:00:00",""
"7239859","27.13","0.02","5.227","0.004","15.424","0.012","90","","105.46","0.04","90","","2108","3","293","2","293","2","","","","","","","synthesis","4","C 1 2 1","C 2y","5","","","","- C22 H26 N2 O5 -","- C22 H26 N2 O5 -","- C88 H104 N8 O20 -","4","1","","Chetia, Monikha; Debnath, Swapna; Chowdhury, Sumit; Chatterjee, Sunanda","Self-assembly and multifunctionality of peptide organogels: oil spill recovery, dye absorption and synthesis of conducting biomaterials","RSC Advances","2020","10","9","5220","5233","10.1039/C9RA10395C","","x-ray","0.71073","MoKα","","0.2754","0.1036","","","0.224","0.3383","","","","","","0.996","","","","has coordinates","258094","2020-10-21","18:00:00",""
"7239860","20.281","0.009","5.226","0.003","22.662","0.01","90","","105.39","0.05","90","","2316","2","293","2","293","2","","","","","","","synthesis","4","I 1 2 1","I 2y","5","","","","- C23 H28 N2 O5 -","- C23 H28 N2 O5 -","- C92 H112 N8 O20 -","4","1","","Chetia, Monikha; Debnath, Swapna; Chowdhury, Sumit; Chatterjee, Sunanda","Self-assembly and multifunctionality of peptide organogels: oil spill recovery, dye absorption and synthesis of conducting biomaterials","RSC Advances","2020","10","9","5220","5233","10.1039/C9RA10395C","","x-ray","0.71073","MoKα","","0.155","0.0829","","","0.1971","0.2285","","","","","","0.919","","","","has coordinates","258094","2020-10-21","18:00:00",""
"7239866","10.3559","0.0008","12.2616","0.0009","10.7523","0.0008","90","","91.528","0.007","90","","1364.84","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","<i>N</i>'-[(<i>Z</i>)-1,3-benzodioxol-5-ylmethylidene]benzenesulfonohydrazide","<i>N</i>'-[(<i>Z</i>)-1,3-benzodioxol-5-ylmethylidene]benzenesulfonohydrazide","","- C14 H12 N2 O4 S -","- C14 H12 N2 O4 S -","- C56 H48 N8 O16 S4 -","4","1","","Rahman, Mohammed M.; Hussain, Mohammad Musarraf; Arshad, Muhammad Nadeem; Asiri, Abdullah M.","The synthesis and application of (E)-N′-(benzo[d]dioxol-5-ylmethylene)-4-methyl-benzenesulfonohydrazide for the detection of carcinogenic lead","RSC Advances","2020","10","9","5316","5327","10.1039/C9RA09080K","","","0.71073","MoKα","","0.0558","0.0404","","","0.0983","0.11","","","","","","1.021","","","","has coordinates","258093","2020-10-21","18:00:00",""
"7239867","11.4162","0.0004","11.4162","0.0004","20.9435","0.0007","90","","90","","120","","2363.87","0.14","296","2","296","2","","","","","","","","5","P 65","P 65","170","<i>N</i>'-[(<i>Z</i>)-1,3-benzodioxol-5-ylmethylidene]-4-methyl benzenesulfonohydrazide","<i>N</i>'-[(<i>Z</i>)-1,3-benzodioxol-5-ylmethylidene]-4-methyl benzenesulfonohydrazide","","- C15 H14 N2 O4 S -","- C15 H14 N2 O4 S -","- C90 H84 N12 O24 S6 -","6","1","","Rahman, Mohammed M.; Hussain, Mohammad Musarraf; Arshad, Muhammad Nadeem; Asiri, Abdullah M.","The synthesis and application of (E)-N′-(benzo[d]dioxol-5-ylmethylene)-4-methyl-benzenesulfonohydrazide for the detection of carcinogenic lead","RSC Advances","2020","10","9","5316","5327","10.1039/C9RA09080K","","","0.71073","MoKα","","0.0851","0.0458","","","0.1219","0.1426","","","","","","1.011","","","","has coordinates","258093","2020-10-21","18:00:00",""
"7239873","29.6191","0.0012","5.7006","0.0002","17.6543","0.0006","90","","100.62","0.004","90","","2929.81","0.19","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H29 N O2 -","- C39 H29 N O2 -","- C156 H116 N4 O8 -","4","1","","Huang, Zengfang; Chen, Yali; Wang, Runze; Zhou, Chaoyue; Liu, Xiaobo; Mao, Liucheng; Yuan, Jinying; Tao, Lei; Wei, Yen","An acrylate AIE-active dye with a two-photon fluorescent switch for fluorescent nanoparticles by RAFT polymerization: synthesis, molecular structure and application in cell imaging","RSC Advances","2020","10","10","5704","5711","10.1039/C9RA10430E","","x-ray","1.54184","CuKα","","0.0935","0.0702","","","0.1357","0.167","","","","","","1.035","","","","has coordinates","257969","2020-10-21","18:00:00",""
"7239874","16.678","0.005","7.107","0.005","15.865","0.005","90","0.005","97.397","0.005","90","0.005","1864.8","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 N2 O -","- C6 H12 Cl2 N2 O -","- C48 H96 Cl16 N16 O8 -","8","2","","Hamdi, Intissar; Bkhairia, Intidhar; Roodt, Andreas; Roisnel, Thierry; Nasri, Moncef; Naïli, Houcine","Synthesis, intermolecular interactions and biological activities of two new organic‒inorganic hybrids C6H10N2,2Br and C6H10N2,2Cl·H2O","RSC Advances","2020","10","10","5864","5873","10.1039/C9RA09294C","","","0.71069","MoKα","","0.0289","0.0246","","","0.0731","0.0915","","","","","","1.191","","","","has coordinates","257970","2020-10-21","18:00:00",""
"7239875","6.656","0.0009","7.7563","0.001","9.1524","0.0012","76.32","0.004","80.652","0.004","82.187","0.005","450.65","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H10 Br2 N2 -","- C6 H10 Br2 N2 -","- C12 H20 Br4 N4 -","2","1","","Hamdi, Intissar; Bkhairia, Intidhar; Roodt, Andreas; Roisnel, Thierry; Nasri, Moncef; Naïli, Houcine","Synthesis, intermolecular interactions and biological activities of two new organic‒inorganic hybrids C6H10N2,2Br and C6H10N2,2Cl·H2O","RSC Advances","2020","10","10","5864","5873","10.1039/C9RA09294C","","","0.71073","MoKα","","0.0224","0.0204","","","0.0506","0.0515","","","","","","1.053","","","","has coordinates","257970","2020-10-21","18:00:00",""
"7239876","15.949","0.002","9.0933","0.0012","25.01","0.003","90","","113.421","0.002","90","","3328.3","0.7","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 Br F3 N2 O2 -","- C17 H12 Br F3 N2 O2 -","- C136 H96 Br8 F24 N16 O16 -","8","1","","Xu, Xiaobo; Xia, Chengcai; Li, Xiaojun; Sun, Jian; Hao, Liqiang","Visible-light-induced aerobic C3‒H fluoroalkoxylation of quinoxalin-2(1H)-ones with fluoroalkyl alcohols","RSC Advances","2020","10","4","2016","2026","10.1039/C9RA10194B","","","0.71073","MoKα","","0.0918","0.0467","","","0.1044","0.1197","","","","","","1.013","","","","has coordinates","258039","2020-10-21","18:00:00",""
"7239877","9.1084","0.0008","10.8314","0.0009","17.2226","0.0014","90","","94.06","0.003","90","","1694.9","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(NZ)-N-[(1,3-diphenyl-1<i>H</i>-pyrazol-4-yl)methylidene]-N- oxidoanilinium","","- C22 H17 N3 O -","- C22 H17 N3 O -","- C88 H68 N12 O4 -","4","1","","Said, Awad I.; El-Emary, Talaat I.","Diastereoselective synthesis of atropisomeric pyrazolyl pyrrolo[3,4-d]isoxazolidines via pyrazolyl nitrone cycloaddition to facially divergent maleimides: intensive NMR and DFT studies","RSC Advances","2020","10","2","845","850","10.1039/C9RA10039C","","","1.54178","CuKα","","0.0372","0.0346","","","0.0844","0.0864","","","","","","1.055","","","","has coordinates","258050","2020-10-21","18:00:00",""
"7239878","8.7889","0.0003","10.1048","0.0005","8.8667","0.0003","90","","93.111","0.003","90","","786.29","0.05","114","4","114","4","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H15 Cl O5 -","- C20 H15 Cl O5 -","- C40 H30 Cl2 O10 -","2","1","","Liu, Xinlei; Li, Shuyi; Wei, Xinyu; Zhao, Yu; Lai, Daowan; Zhou, Ligang; Wang, Mingan","Total synthesis of Palmarumycin BGs, C1 and Guignardin E","RSC Advances","2020","10","3","1588","1594","10.1039/C9RA10316C","","x-ray","1.54184","CuKα","","0.0394","0.0379","","","0.0975","0.099","","","","","","1.042","","","","has coordinates","258147","2020-10-21","18:00:00",""
"7239879","9.6166","0.0004","14.4465","0.0006","20.4967","0.001","106.767","0.004","98.427","0.004","101.203","0.004","2611.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H20 O16 Zn3 -","- C44 H20 O16 Zn3 -","- C88 H40 O32 Zn6 -","2","1","","Qin, Jian-Hua; Huang, Ya-Dan; Shi, Ming-Yu; Wang, Hua-Rui; Han, Min-Le; Yang, Xiao-Gang; Li, Fei-Fei; Ma, Lu-Fang","Aqueous-phase detection of antibiotics and nitroaromatic explosives by an alkali-resistant Zn-MOF directed by an ionic liquid","RSC Advances","2020","10","3","1439","1446","10.1039/C9RA08733H","","x-ray","0.71073","MoKα","","0.069","0.0574","","","0.1442","0.1519","","","","","","1.042","","","","has coordinates,has disorder","258148","2020-10-21","18:00:00",""
"7239893","10.434","0.001","10.434","0.001","20.752","0.005","90","","90","","90","","2259.2","0.6","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C3.43 H2.29 N0.86 O0.29 Zn0.14 -","- C3.42857 H2.28571 N0.857143 O0.285714 Zn0.142857 -","- C96 H64 N24 O8 Zn4 -","28","3.5","","Wu, Yuandi; Liu, Dongyang; Lin, Meihua; Qian, Jing","Zinc(ii)-based coordination polymer encapsulated Tb3+ as a multi-responsive luminescent sensor for Ru3+, Fe3+, CrO42−, Cr2O72− and MnO4−","RSC Advances","2020","10","10","6022","6029","10.1039/C9RA09541A","","","0.71073","MoKα","","0.0406","0.031","","","0.0687","0.073","","","","","","1.04","","","","has coordinates","257968","2020-10-21","18:00:00",""
"7239909","18.1413","0.001","10.9944","0.0006","21.6888","0.0012","90","","109.931","0.002","90","","4066.8","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H46 N10 Np O22 -","- C28 H46 N10 Np O22 -","- C112 H184 N40 Np4 O88 -","4","0.5","","Takao, Koichiro; März, Juliane; Matsuoka, Moe; Mashita, Takanori; Kazama, Hiroyuki; Tsushima, Satoru","Crystallization of colourless hexanitratoneptunate(iv) with anhydrous H+ countercations trapped in a hydrogen bonded polymer with diamide linkers","RSC Advances","2020","10","10","6082","6087","10.1039/C9RA10090C","","","0.71073","MoKα","","0.027","0.0192","","","0.0394","0.042","","","","","","1.068","","","","has coordinates,has disorder","257967","2020-10-21","18:00:00",""
"7239910","9.8264","0.001","10.7164","0.0011","19.517","0.002","90","","103.175","0.004","90","","2001.1","0.4","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 N10 Np O22 -","- C28 H46 N10 Np O22 -","- C56 H92 N20 Np2 O44 -","2","0.5","","Takao, Koichiro; März, Juliane; Matsuoka, Moe; Mashita, Takanori; Kazama, Hiroyuki; Tsushima, Satoru","Crystallization of colourless hexanitratoneptunate(iv) with anhydrous H+ countercations trapped in a hydrogen bonded polymer with diamide linkers","RSC Advances","2020","10","10","6082","6087","10.1039/C9RA10090C","","","0.71073","MoKα","","0.0268","0.0188","","","0.0588","0.0691","","","","","","1.34","","","","has coordinates","257967","2020-10-21","18:00:00",""
"7239911","9.1964","0.0018","13.197","0.003","14.447","0.003","90","","90","","90","","1753.4","0.6","293","2","293","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C16 H13 Gd O12 -","- C16 H13 Gd O12 -","- C64 H52 Gd4 O48 -","4","0.5","","Wang, Xue-Ting; Wei, Wei; Zhang, Kai; Du, Shao-Wu","A stable LnMOF as a highly efficient and selective luminescent sensor for detecting malachite green in water and real samples","RSC Advances","2020","10","11","6129","6134","10.1039/C9RA10870J","","","0.71073","MoKα","","0.024","0.0233","","","0.053","0.0534","","","","","","1.135","","","","has coordinates","258134","2020-10-21","18:00:00",""
"7239912","9.2104","0.0018","13.203","0.003","14.465","0.003","90","","90","","90","","1759","0.6","293","2","293","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C16 H13 Eu O12 -","- C16 H13 Eu O12 -","- C64 H52 Eu4 O48 -","4","0.5","","Wang, Xue-Ting; Wei, Wei; Zhang, Kai; Du, Shao-Wu","A stable LnMOF as a highly efficient and selective luminescent sensor for detecting malachite green in water and real samples","RSC Advances","2020","10","11","6129","6134","10.1039/C9RA10870J","","","0.71073","MoKα","","0.0244","0.0239","","","0.0529","0.0531","","","","","","1.138","","","","has coordinates","258134","2020-10-21","18:00:00",""
"7239913","9.1988","0.0018","13.161","0.003","14.406","0.003","90","","90","","90","","1744.1","0.6","293","2","293","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C16 H13 O12 Tb -","- C16 H13 O12 Tb -","- C64 H52 O48 Tb4 -","4","0.5","","Wang, Xue-Ting; Wei, Wei; Zhang, Kai; Du, Shao-Wu","A stable LnMOF as a highly efficient and selective luminescent sensor for detecting malachite green in water and real samples","RSC Advances","2020","10","11","6129","6134","10.1039/C9RA10870J","","","0.71073","MoKα","","0.0299","0.0293","","","0.073","0.0736","","","","","","1.106","","","","has coordinates","258134","2020-10-21","18:00:00",""
"7239914","19.329","0.004","18.257","0.004","23.014","0.004","90","","107.892","0.003","90","","7729","3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C144 H98 Dy8 N24 O61 -","- C144 H98 Dy8 N24 O61 -","- C288 H196 Dy16 N48 O122 -","2","0.5","","Li, Rong-fang; Li, Rui-hao; Liu, Xin-fang; Chang, Xin-hong; Feng, Xun","Lanthanide complexes based on a conjugated pyridine carboxylate ligand: structures, luminescence and magnetic properties","RSC Advances","2020","10","11","6192","6199","10.1039/C9RA10975G","","","0.71073","MoKα","","0.0676","0.0495","","","0.1336","0.1502","","","","","","1.009","","","","has coordinates","258135","2020-10-21","18:00:00",""
"7239915","6.78","0.002","27.939","0.008","11.546","0.004","90","","101.63","0.004","90","","2142.2","1.2","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H14 N4 O9 Sm -","- C24 H14 N4 O9 Sm -","- C96 H56 N16 O36 Sm4 -","4","1","","Li, Rong-fang; Li, Rui-hao; Liu, Xin-fang; Chang, Xin-hong; Feng, Xun","Lanthanide complexes based on a conjugated pyridine carboxylate ligand: structures, luminescence and magnetic properties","RSC Advances","2020","10","11","6192","6199","10.1039/C9RA10975G","","","0.71073","MoKα","","0.0255","0.0229","","","0.0603","0.0661","","","","","","1.0491","","","","has coordinates","258135","2020-10-21","18:00:00",""
"7239916","19.3527","0.0003","18.2613","0.0003","23.1008","0.0004","90","","107.756","0.002","90","","7775","0.2","296.8","0.4","296.8","0.4","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C144 H98 N24 O61 Tb8 -","- C144 H98 N24 O61 Tb8 -","- C288 H196 N48 O122 Tb16 -","2","0.5","","Li, Rong-fang; Li, Rui-hao; Liu, Xin-fang; Chang, Xin-hong; Feng, Xun","Lanthanide complexes based on a conjugated pyridine carboxylate ligand: structures, luminescence and magnetic properties","RSC Advances","2020","10","11","6192","6199","10.1039/C9RA10975G","","x-ray","0.71073","MoKα","","0.0349","0.0279","","","0.0603","0.0626","","","","","","1.048","","","","has coordinates","258135","2020-10-21","18:00:00",""
"7239922","13.6199","0.0003","12.0853","0.0003","23.023","0.0005","90","","98.247","0.002","90","","3750.41","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H29 Cu2 N13 O14 -","- C32 H29 Cu2 N13 O14 -","- C128 H116 Cu8 N52 O56 -","4","1","","Hong, ZhaoGuo; Zheng, Chu; Luo, Bi; You, Xin; Bian, HeDong; Liang, Hong; Chen, ZhenFeng; Huang, FuPing","Two groups of copperII pyridine‒triazole complexes with “open or close” pepper rings and their in vitro antitumor activities","RSC Advances","2020","10","11","6297","6305","10.1039/C9RA10677D","","x-ray","0.71073","MoKα","","0.0584","0.0402","","","0.0997","0.1094","","","","","","1.024","","","","has coordinates","258132","2020-10-21","18:00:00",""
"7239923","10.616","0.003","7.3808","0.0018","10.876","0.003","90","","100.629","0.004","90","","837.6","0.4","296","2","296","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H14 Cu N4 O7 S -","- C15 H14 Cu N4 O7 S -","- C30 H28 Cu2 N8 O14 S2 -","2","1","","Hong, ZhaoGuo; Zheng, Chu; Luo, Bi; You, Xin; Bian, HeDong; Liang, Hong; Chen, ZhenFeng; Huang, FuPing","Two groups of copperII pyridine‒triazole complexes with “open or close” pepper rings and their in vitro antitumor activities","RSC Advances","2020","10","11","6297","6305","10.1039/C9RA10677D","","","0.71073","MoKα","","0.0363","0.0284","","","0.06","0.0622","","","","","","1.051","","","","has coordinates","258132","2020-10-21","18:00:00",""
"7239924","8.6128","0.0004","18.23","0.0007","21.5956","0.0009","90","","94.99","0.004","90","","3377.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 Cl2 Cu N8 O12 -","- C30 H28 Cl2 Cu N8 O12 -","- C120 H112 Cl8 Cu4 N32 O48 -","4","1","","Hong, ZhaoGuo; Zheng, Chu; Luo, Bi; You, Xin; Bian, HeDong; Liang, Hong; Chen, ZhenFeng; Huang, FuPing","Two groups of copperII pyridine‒triazole complexes with “open or close” pepper rings and their in vitro antitumor activities","RSC Advances","2020","10","11","6297","6305","10.1039/C9RA10677D","","x-ray","0.71073","MoKα","","0.0895","0.0639","","","0.1787","0.2002","","","","","","1.046","","","","has coordinates","258132","2020-10-21","18:00:00",""
"7239925","10.2362","0.0005","17.597","0.0006","10.3334","0.001","90","","109.474","0.008","90","","1754.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H14.5 Cl2 Cu N4 O2.25 -","- C15 H14 Cl2 Cu N4 O2.25 -","- C60 H56 Cl8 Cu4 N16 O9 -","4","1","","Hong, ZhaoGuo; Zheng, Chu; Luo, Bi; You, Xin; Bian, HeDong; Liang, Hong; Chen, ZhenFeng; Huang, FuPing","Two groups of copperII pyridine‒triazole complexes with “open or close” pepper rings and their in vitro antitumor activities","RSC Advances","2020","10","11","6297","6305","10.1039/C9RA10677D","","x-ray","0.71073","MoKα","","0.0766","0.0541","","","0.1551","0.1724","","","","","","1.045","","","","has coordinates","258132","2020-10-21","18:00:00",""
"7239926","9.6197","0.0012","22.809","0.003","13.0632","0.0012","90","","127.446","0.006","90","","2275.6","0.5","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cl2 Cu N4 O4 S2 -","- C18 H22 Cl2 Cu N4 O4 S2 -","- C72 H88 Cl8 Cu4 N16 O16 S8 -","4","1","","Hong, ZhaoGuo; Zheng, Chu; Luo, Bi; You, Xin; Bian, HeDong; Liang, Hong; Chen, ZhenFeng; Huang, FuPing","Two groups of copperII pyridine‒triazole complexes with “open or close” pepper rings and their in vitro antitumor activities","RSC Advances","2020","10","11","6297","6305","10.1039/C9RA10677D","","","0.71073","MoKα","","0.0325","0.0279","","","0.0812","0.0842","","","","","","1.095","","","","has coordinates","258132","2020-10-21","18:00:00",""
"7239927","11.071","0.0006","33.288","0.002","26.7627","0.0011","90","","100.081","0.005","90","","9710.6","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cu2 N10 O11 -","- C28 H18 Cu2 N10 O10 -","- C336 H216 Cu24 N120 O120 -","12","3","","Hong, ZhaoGuo; Zheng, Chu; Luo, Bi; You, Xin; Bian, HeDong; Liang, Hong; Chen, ZhenFeng; Huang, FuPing","Two groups of copperII pyridine‒triazole complexes with “open or close” pepper rings and their in vitro antitumor activities","RSC Advances","2020","10","11","6297","6305","10.1039/C9RA10677D","","x-ray","0.71073","MoKα","","0.1977","0.1063","","","0.2169","0.2663","","","","","","1.024","","","","has coordinates","258132","2020-10-21","18:00:00",""
"7239928","7.5587","0.0004","8.8898","0.0007","12.5059","0.0007","74.341","0.006","74.736","0.005","67.915","0.006","737.35","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C36 H36 N4 O4 -","2","1","","Li, Yinghua; Zhu, Yingzu; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang","Temperature controlled condensation of nitriles: efficient and convenient synthesis of β-enaminonitriles, 4-aminopyrimidines and 4-amidinopyrimidines in one system","RSC Advances","2020","10","11","6576","6583","10.1039/C9RA10866A","","","0.71073","MoKα","","0.0535","0.0448","","","0.1028","0.1089","","","","","","1.07","","","","has coordinates","258133","2020-10-21","18:00:00",""
"7239929","9.897","0.0003","9.847","0.0003","14.2912","0.0005","90","","93.032","0.003","90","","1390.81","0.08","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H21 N3 -","- C15 H21 N3 -","- C60 H84 N12 -","4","1","","Li, Yinghua; Zhu, Yingzu; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang","Temperature controlled condensation of nitriles: efficient and convenient synthesis of β-enaminonitriles, 4-aminopyrimidines and 4-amidinopyrimidines in one system","RSC Advances","2020","10","11","6576","6583","10.1039/C9RA10866A","","","1.54184","CuKα","","0.0559","0.0482","","","0.1314","0.138","","","","","","1.08","","","","has coordinates","258133","2020-10-21","18:00:00",""
"7239930","10.5993","0.0003","11.9893","0.0004","28.8362","0.0008","90","","90","","90","","3664.45","0.19","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C19 H16 N4 S3 -","- C19 H16 N4 S3 -","- C152 H128 N32 S24 -","8","1","","Li, Yinghua; Zhu, Yingzu; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang","Temperature controlled condensation of nitriles: efficient and convenient synthesis of β-enaminonitriles, 4-aminopyrimidines and 4-amidinopyrimidines in one system","RSC Advances","2020","10","11","6576","6583","10.1039/C9RA10866A","","","1.54184","CuKα","","0.041","0.0349","","","0.0879","0.0911","","","","","","1.058","","","","has coordinates,has disorder","258133","2020-10-21","18:00:00",""
"7239931","4.4117","0.0004","11.8292","0.0013","12.0532","0.0011","97.48","0.008","97.624","0.007","93.401","0.008","616.27","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H12 N4 -","- C14 H12 N4 -","- C28 H24 N8 -","2","1","","Li, Yinghua; Zhu, Yingzu; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang","Temperature controlled condensation of nitriles: efficient and convenient synthesis of β-enaminonitriles, 4-aminopyrimidines and 4-amidinopyrimidines in one system","RSC Advances","2020","10","11","6576","6583","10.1039/C9RA10866A","","","1.54184","CuKα","","0.0783","0.0584","","","0.1834","0.1896","","","","","","1.3","","","","has coordinates","258133","2020-10-21","18:00:00",""
"7239932","11.7806","0.0004","14.4288","0.0004","11.4659","0.0003","90","","90","","90","","1948.97","0.1","100","2","100","2","","","","","","","","3","P n 21 a","P -2ac -2n","33","","","","- C25 H22 N4 -","- C25 H22 N4 -","- C100 H88 N16 -","4","1","","Li, Yinghua; Zhu, Yingzu; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang","Temperature controlled condensation of nitriles: efficient and convenient synthesis of β-enaminonitriles, 4-aminopyrimidines and 4-amidinopyrimidines in one system","RSC Advances","2020","10","11","6576","6583","10.1039/C9RA10866A","","","1.54184","CuKα","","0.0335","0.0308","","","0.0741","0.0754","","","","","","1.077","","","","has coordinates","258133","2020-10-21","18:00:00",""
"7239933","11.8744","0.0003","14.4778","0.0004","17.3921","0.0004","89.485","0.002","80.497","0.002","72.612","0.002","2811.59","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 N3 S -","- C16 H15 N3 S -","- C128 H120 N24 S8 -","8","4","","Li, Yinghua; Zhu, Yingzu; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang","Temperature controlled condensation of nitriles: efficient and convenient synthesis of β-enaminonitriles, 4-aminopyrimidines and 4-amidinopyrimidines in one system","RSC Advances","2020","10","11","6576","6583","10.1039/C9RA10866A","","","1.54184","CuKα","","0.0508","0.045","","","0.1242","0.1272","","","","","","1.102","","","","has coordinates,has disorder","258133","2020-10-21","18:00:00",""
"7239934","12.3235","0.0003","14.5512","0.0003","13.93","0.0003","90","","109.772","0.003","90","","2350.69","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N3 -","- C14 H11 N3 -","- C112 H88 N24 -","8","2","","Li, Yinghua; Zhu, Yingzu; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang","Temperature controlled condensation of nitriles: efficient and convenient synthesis of β-enaminonitriles, 4-aminopyrimidines and 4-amidinopyrimidines in one system","RSC Advances","2020","10","11","6576","6583","10.1039/C9RA10866A","","","1.54184","CuKα","","0.0382","0.035","","","0.0896","0.0917","","","","","","1.058","","","","has coordinates","258133","2020-10-21","18:00:00",""
"7239935","4.0579","0.00012","20.9622","0.0007","21.68","0.0006","90","","91.982","0.003","90","","1843.05","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N5 S -","- C22 H19 N5 S -","- C88 H76 N20 S4 -","4","1","","Li, Yinghua; Zhu, Yingzu; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang","Temperature controlled condensation of nitriles: efficient and convenient synthesis of β-enaminonitriles, 4-aminopyrimidines and 4-amidinopyrimidines in one system","RSC Advances","2020","10","11","6576","6583","10.1039/C9RA10866A","","","1.54184","CuKα","","0.0473","0.0377","","","0.1014","0.1081","","","","","","1.041","","","","has coordinates,has disorder","258133","2020-10-21","18:00:00",""
"7239936","19.9809","0.0013","17.0776","0.0011","5.5951","0.0003","90","","90","","90","","1909.2","0.2","100","2","100","2","","","","","","","","3","P n 21 a","P -2ac -2n","33","","","","- C24 H21 N5 -","- C24 H21 N5 -","- C96 H84 N20 -","4","1","","Li, Yinghua; Zhu, Yingzu; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang","Temperature controlled condensation of nitriles: efficient and convenient synthesis of β-enaminonitriles, 4-aminopyrimidines and 4-amidinopyrimidines in one system","RSC Advances","2020","10","11","6576","6583","10.1039/C9RA10866A","","","1.54184","CuKα","","0.0499","0.0435","","","0.1034","0.1085","","","","","","1.08","","","","has coordinates","258133","2020-10-21","18:00:00",""
"7239940","11.081","0.002","13.386","0.003","15.426","0.003","83.38","0.03","83.88","0.03","88.67","0.03","2259.8","0.8","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H28 Cl4 Co N6 -","- C50 H28 Cl4 Co N6 -","- C100 H56 Cl8 Co2 N12 -","2","1","","Guergueb, Mouhieddinne; Nasri, Soumaya; Brahmi, Jihed; Loiseau, Frédérique; Molton, Florian; Roisnel, Thierry; Guerineau, Vincent; Turowska-Tyrk, Ilona; Aouadi, Kaïss; Nasri, Habib","Effect of the coordination of π-acceptor 4-cyanopyridine ligand on the structural and electronic properties of meso-tetra(para-methoxy) and meso-tetra(para-chlorophenyl) porphyrin cobalt(ii) coordination compounds. Application in the catalytic degradation of methylene blue dye","RSC Advances","2020","10","12","6900","6918","10.1039/C9RA08504A","","","0.71073","MoKα","","0.0821","0.0638","","","0.1801","0.2025","","","","","","1.131","","","","has coordinates,has disorder","258142","2020-10-21","18:00:00",""
"7239941","36.676","0.004","13.4126","0.0015","19.944","0.002","90","","103.378","0.004","90","","9544.6","1.8","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C55 H41 Cl3 Co N6 O4 -","- C55 H41 Cl3 Co N6 O4 -","- C440 H328 Cl24 Co8 N48 O32 -","8","1","","Guergueb, Mouhieddinne; Nasri, Soumaya; Brahmi, Jihed; Loiseau, Frédérique; Molton, Florian; Roisnel, Thierry; Guerineau, Vincent; Turowska-Tyrk, Ilona; Aouadi, Kaïss; Nasri, Habib","Effect of the coordination of π-acceptor 4-cyanopyridine ligand on the structural and electronic properties of meso-tetra(para-methoxy) and meso-tetra(para-chlorophenyl) porphyrin cobalt(ii) coordination compounds. Application in the catalytic degradation of methylene blue dye","RSC Advances","2020","10","12","6900","6918","10.1039/C9RA08504A","","","0.71073","MoKα","","0.086","0.0683","","","0.1695","0.1847","","","","","","1.033","","","","has coordinates,has disorder","258142","2020-10-21","18:00:00",""
"7239942","27.451","0.013","13.802","0.006","44.77","0.02","90","","103.479","0.007","90","","16495","13","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H111 O32 P7 Ti5 -","- C46 H110 O32 P7 Ti5 -","- C368 H880 O256 P56 Ti40 -","8","1","","Svensson, Fredric G.; Daniel, Geoffrey; Tai, Cheuk-Wai; Seisenbaeva, Gulaim A.; Kessler, Vadim G.","Titanium phosphonate oxo-alkoxide “clusters”: solution stability and facile hydrolytic transformation into nano titania","RSC Advances","2020","10","12","6873","6883","10.1039/C9RA10691J","","","0.71073","MoKα","","0.1336","0.093","","","0.2273","0.242","","","","","","1.073","","","","has coordinates","258143","2020-10-21","18:00:00",""
"7239943","13.546","0.014","16.293","0.017","18.665","0.02","90","","97.604","0.013","90","","4083","7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H116 O34 P8 Ti4 -","- C48 H116 O34 P8 Ti4 -","- C96 H232 O68 P16 Ti8 -","2","0.5","","Svensson, Fredric G.; Daniel, Geoffrey; Tai, Cheuk-Wai; Seisenbaeva, Gulaim A.; Kessler, Vadim G.","Titanium phosphonate oxo-alkoxide “clusters”: solution stability and facile hydrolytic transformation into nano titania","RSC Advances","2020","10","12","6873","6883","10.1039/C9RA10691J","","","0.71073","MoKα","","0.1185","0.0633","","","0.1529","0.171","","","","","","1.101","","","","has coordinates","258143","2020-10-21","18:00:00",""
"7239944","25.01","0.005","13.95","0.003","22.82","0.005","90","","115.44","0.03","90","","7190","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H92 O24 P4 Ti4 -","- C48 H92 O24 P4 Ti4 -","- C192 H368 O96 P16 Ti16 -","4","0.5","","Svensson, Fredric G.; Daniel, Geoffrey; Tai, Cheuk-Wai; Seisenbaeva, Gulaim A.; Kessler, Vadim G.","Titanium phosphonate oxo-alkoxide “clusters”: solution stability and facile hydrolytic transformation into nano titania","RSC Advances","2020","10","12","6873","6883","10.1039/C9RA10691J","","","0.71073","MoKα","","0.1185","0.086","","","0.2398","0.2584","","","","","","1.049","","","","has coordinates","258143","2020-10-21","18:00:00",""
"7239945","10.918","0.005","11.667","0.006","19.845","0.01","98.141","0.006","90.067","0.006","116.79","0.005","2227.7","1.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H69 O16 P Ti4 -","- C28 H41 O16 P Ti4 -","- C56 H82 O32 P2 Ti8 -","2","1","","Svensson, Fredric G.; Daniel, Geoffrey; Tai, Cheuk-Wai; Seisenbaeva, Gulaim A.; Kessler, Vadim G.","Titanium phosphonate oxo-alkoxide “clusters”: solution stability and facile hydrolytic transformation into nano titania","RSC Advances","2020","10","12","6873","6883","10.1039/C9RA10691J","","","0.71073","MoKα","","0.1383","0.0947","","","0.2007","0.2175","","","","","","0.843","","","","has coordinates","258143","2020-10-21","18:00:00",""
"7239946","12.921","0.004","20.151","0.006","17.426","0.005","90","","105.719","0.008","90","","4368","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H116 O34 P8 Ti4 -","- C44.368 H101.444 O32.964 P8 Ti4 -","- C88.736 H202.888 O65.928 P16 Ti8 -","2","0.5","","Svensson, Fredric G.; Daniel, Geoffrey; Tai, Cheuk-Wai; Seisenbaeva, Gulaim A.; Kessler, Vadim G.","Titanium phosphonate oxo-alkoxide “clusters”: solution stability and facile hydrolytic transformation into nano titania","RSC Advances","2020","10","12","6873","6883","10.1039/C9RA10691J","","","0.71073","MoKα","","0.1658","0.1043","","","0.2303","0.2476","","","","","","1.152","","","","has coordinates","258143","2020-10-21","18:00:00",""
"7239947","11.667","0.005","12.635","0.007","17.668","0.009","94.311","0.012","105.875","0.01","111.946","0.01","2277","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H128 O36 P2 Ti10 -","- C52 H128 O36 P2 Ti10 -","- C52 H128 O36 P2 Ti10 -","1","0.5","","Svensson, Fredric G.; Daniel, Geoffrey; Tai, Cheuk-Wai; Seisenbaeva, Gulaim A.; Kessler, Vadim G.","Titanium phosphonate oxo-alkoxide “clusters”: solution stability and facile hydrolytic transformation into nano titania","RSC Advances","2020","10","12","6873","6883","10.1039/C9RA10691J","","","0.71073","MoKα","","0.1143","0.0804","","","0.2055","0.2262","","","","","","0.974","","","","has coordinates","258143","2020-10-21","18:00:00",""
"7239948","13.141","0.003","14.492","0.004","19.519","0.008","96.504","0.004","99.449","0.005","113.033","0.003","3309.3","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H91 O26 P4 Ti6 -","- C38 H91 O26 P4 Ti6 -","- C76 H182 O52 P8 Ti12 -","2","1","","Svensson, Fredric G.; Daniel, Geoffrey; Tai, Cheuk-Wai; Seisenbaeva, Gulaim A.; Kessler, Vadim G.","Titanium phosphonate oxo-alkoxide “clusters”: solution stability and facile hydrolytic transformation into nano titania","RSC Advances","2020","10","12","6873","6883","10.1039/C9RA10691J","","","0.71073","MoKα","","0.0683","0.0481","","","0.1019","0.1076","","","","","","1.039","","","","has coordinates","258143","2020-10-21","18:00:00",""
"7239949","9.8268","0.0007","15.4881","0.0011","10.5137","0.0007","90","","101.433","0.001","90","","1568.42","0.19","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H28 Cu Gd N9 O7 -","- C28 H28 Cu Gd N9 O7 -","- C56 H56 Cu2 Gd2 N18 O14 -","2","1","","Zhou, Zhuoqiang; Li, Ming-Xing; Sui, Yan; Nfor, Emmanuel N.; Wang, Zhao-Xi","Two 1D homochiral heterometallic chains: crystal structures, spectra, ferroelectricity and ferromagnetic properties","RSC Advances","2020","10","12","7004","7010","10.1039/D0RA00732C","","","0.71073","MoKα","","0.025","0.0237","","","0.0738","0.0843","","","","","","1.083","","","","has coordinates","258146","2020-10-21","18:00:00",""
"7239950","9.862","0.003","15.473","0.005","10.493","0.003","90","","101.542","0.004","90","","1568.8","0.8","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H28 Cu Ho N9 O7 -","- C28 H28 Cu Ho N9 O7 -","- C56 H56 Cu2 Ho2 N18 O14 -","2","1","","Zhou, Zhuoqiang; Li, Ming-Xing; Sui, Yan; Nfor, Emmanuel N.; Wang, Zhao-Xi","Two 1D homochiral heterometallic chains: crystal structures, spectra, ferroelectricity and ferromagnetic properties","RSC Advances","2020","10","12","7004","7010","10.1039/D0RA00732C","","","0.71073","MoKα","","0.0219","0.0212","","","0.0592","0.0597","","","","","","1.077","","","","has coordinates","258146","2020-10-21","18:00:00",""
"7239954","9.4255","0.001","12.9799","0.0013","24.692","0.002","90","","92.779","0.003","90","","3017.3","0.5","283","2","283.36","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C160 H120 N8 O16 -","8","2","","Liu, Renfei; Zhu, Guanxing; Zhang, Gang","N-Substitution of acridone with electron-donating groups: crystal packing, intramolecular charge transfer and tuneable aggregation induced emission","RSC Advances","2020","10","12","7092","7098","10.1039/C9RA10615D","","x-ray","0.71076","MoKα","","0.2532","0.1289","","","0.1506","0.186","","","","","","1.203","","","","has coordinates","258145","2020-10-21","18:00:00",""
"7239955","9.8465","0.0008","12.7204","0.001","13.4275","0.001","69.672","0.002","71.642","0.002","77.107","0.002","1484.5","0.2","296.36","","296.36","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H32 N4 O -","- C39 H30 N2 O3 -","- C78 H60 N4 O6 -","2","1","","Liu, Renfei; Zhu, Guanxing; Zhang, Gang","N-Substitution of acridone with electron-donating groups: crystal packing, intramolecular charge transfer and tuneable aggregation induced emission","RSC Advances","2020","10","12","7092","7098","10.1039/C9RA10615D","","x-ray","0.71076","MoKα","","0.1916","0.0852","","","0.112","0.1365","","","","","","1.06","","","","has coordinates","258145","2020-10-21","18:00:00",""
"7239956","11.3406","0.0005","9.8838","0.0005","23.649","0.0012","90","","100.092","0.001","90","","2609.8","0.2","293.3","","293.3","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H26 N2 O3 -","- C33 H26 N2 O3 -","- C132 H104 N8 O12 -","4","1","","Liu, Renfei; Zhu, Guanxing; Zhang, Gang","N-Substitution of acridone with electron-donating groups: crystal packing, intramolecular charge transfer and tuneable aggregation induced emission","RSC Advances","2020","10","12","7092","7098","10.1039/C9RA10615D","","x-ray","0.71076","MoKα","","0.1695","0.0748","","","0.1239","0.1516","","","","","","1.024","","","","has coordinates","258145","2020-10-21","18:00:00",""
"7239962","10.5685","0.0006","8.4986","0.0006","16.7749","0.0014","90","","96.93","0.006","90","","1495.67","0.19","292.08","0.1","292.08","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 F N3 -","- C19 H12 F N3 -","- C76 H48 F4 N12 -","4","1","","Bae, Gi Hun; Kim, Suzi; Lee, Na Keum; Dagar, Anuradha; Lee, Jeong Hwa; Lee, Jeeyeon; Kim, Ikyon","Facile approach to benzo[d]imidazole-pyrrolo[1,2-a]pyrazine hybrid structures through double cyclodehydration and aromatization and their unique optical properties with blue emission","RSC Advances","2020","10","12","7265","7288","10.1039/D0RA01140A","","x-ray","0.71073","MoKα","","0.1375","0.0571","","","0.1182","0.1534","","","","","","1.03","","","","has coordinates","258144","2020-10-21","18:00:00",""
"7239975","36.239","0.006","7.157","0.0012","11.2151","0.0019","90","","104.478","0.003","90","","2816.4","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H19 N3 O -","- C15 H19 N3 O -","- C120 H152 N24 O8 -","8","1","","Barry, Kristy-Lyn; Grimmer, Craig D.; Munro, Orde Q.; Akerman, Matthew P.","Self-assembled supramolecular structures of O,N,N′ tridentate imidazole‒phenol Schiff base compounds","RSC Advances","2020","10","13","7867","7878","10.1039/C9RA10488G","","","0.71073","MoKα","","0.0616","0.0529","","","0.1344","0.1395","","","","","","1.113","","","","has coordinates","258087","2020-10-21","18:00:00",""
"7239976","12.849","0.005","10.609","0.004","16.349","0.005","90","","96.668","0.005","90","","2213.5","1.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 N3 O -","- C12 H13 N3 O -","- C96 H104 N24 O8 -","8","2","","Barry, Kristy-Lyn; Grimmer, Craig D.; Munro, Orde Q.; Akerman, Matthew P.","Self-assembled supramolecular structures of O,N,N′ tridentate imidazole‒phenol Schiff base compounds","RSC Advances","2020","10","13","7867","7878","10.1039/C9RA10488G","","","0.71073","MoKα","","0.0639","0.0466","","","0.1297","0.1435","","","","","","1.032","","","","has coordinates","258087","2020-10-21","18:00:00",""
"7239977","11.5123","0.0013","9.0527","0.0008","19.5365","0.0018","90","","96.232","0.004","90","","2024","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N3 O -","- C11 H11 N3 O -","- C88 H88 N24 O8 -","8","2","","Barry, Kristy-Lyn; Grimmer, Craig D.; Munro, Orde Q.; Akerman, Matthew P.","Self-assembled supramolecular structures of O,N,N′ tridentate imidazole‒phenol Schiff base compounds","RSC Advances","2020","10","13","7867","7878","10.1039/C9RA10488G","","","0.71073","MoKα","","0.0481","0.041","","","0.1014","0.1062","","","","","","1.032","","","","has coordinates","258087","2020-10-21","18:00:00",""
"7239978","22.5522","0.0016","7.1022","0.0005","13.462","0.0009","90","","110.4","0.003","90","","2021","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 N6 O3 -","- C22 H24 N6 O3 -","- C88 H96 N24 O12 -","4","0.5","","Barry, Kristy-Lyn; Grimmer, Craig D.; Munro, Orde Q.; Akerman, Matthew P.","Self-assembled supramolecular structures of O,N,N′ tridentate imidazole‒phenol Schiff base compounds","RSC Advances","2020","10","13","7867","7878","10.1039/C9RA10488G","","","0.71073","MoKα","","0.0471","0.0423","","","0.1113","0.1161","","","","","","1.056","","","","has coordinates","258087","2020-10-21","18:00:00",""
"7239993","12.654","0.003","13.533","0.003","18.382","0.004","83.29","0.03","87.52","0.03","71.4","0.03","2962.9","1.3","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H32 Cu F30 N5 O13 Tb -","- C44 H32 Cu F30 N5 O13 Tb -","- C88 H64 Cu2 F60 N10 O26 Tb2 -","2","1","","Yang, Meng; Liang, Xiaohong; Zhang, Yandie; Ouyang, Zhijian; Dong, Wen","A nitronyl nitroxide and its two 1D chain Cu‒Tb complexes: synthesis, structures, and magnetic properties","RSC Advances","2020","10","14","8490","8496","10.1039/D0RA00018C","","","0.71073","MoKα","","0.0595","0.0508","","","0.136","0.146","","","","","","1.002","","","","has coordinates","258089","2020-10-21","18:00:00",""
"7239994","9.2257","0.0018","16.713","0.003","21.02","0.004","90","","90","","90","","3241.1","1.1","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H20 N5 O3 -","- C16 H20 N5 O3 -","- C128 H160 N40 O24 -","8","1","","Yang, Meng; Liang, Xiaohong; Zhang, Yandie; Ouyang, Zhijian; Dong, Wen","A nitronyl nitroxide and its two 1D chain Cu‒Tb complexes: synthesis, structures, and magnetic properties","RSC Advances","2020","10","14","8490","8496","10.1039/D0RA00018C","","","0.71073","MoKα","","0.1059","0.0696","","","0.1616","0.1875","","","","","","1.01","","","","has coordinates","258089","2020-10-21","18:00:00",""
"7239995","18.785","0.003","17.138","0.003","52.309","0.01","90","","96.852","0.004","90","","16720","5","113","2","113.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C123 H72 Cu3 F90 N15 O39 Tb3 -","- C123 H72 Cu3 F90 N15 O39 Tb3 -","- C492 H288 Cu12 F360 N60 O156 Tb12 -","4","1","","Yang, Meng; Liang, Xiaohong; Zhang, Yandie; Ouyang, Zhijian; Dong, Wen","A nitronyl nitroxide and its two 1D chain Cu‒Tb complexes: synthesis, structures, and magnetic properties","RSC Advances","2020","10","14","8490","8496","10.1039/D0RA00018C","","","1.54178","CuKα","","0.1084","0.0686","","","0.1577","0.1857","","","","","","1.053","","","","has coordinates","258089","2020-10-21","18:00:00",""
"7239998","29.8653","0.0017","10.2827","0.0004","10.8622","0.0007","90","","90","","90","","3335.7","0.3","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C11 H15 B O2 -","- C11 H15 B O2 -","- C132 H180 B12 O24 -","12","1.5","","Joshi, Prerna; Vedarajan, Raman; Sheelam, Anjaiah; Ramanujam, Kothandaraman; Malaman, Bernard; Matsumi, Noriyoshi","An all solid-state Li ion battery composed of low molecular weight crystalline electrolyte","RSC Advances","2020","10","15","8780","8789","10.1039/C9RA09559D","","","0.71073","MoKα","","0.0911","0.0545","","","0.1385","0.1644","","","","","","1.014","","","","has coordinates,has disorder","258105","2020-10-21","18:00:00",""
"7239999","13.0671","0.0004","15.9871","0.0005","7.5731","0.0002","90","","96.415","0.003","90","","1572.15","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 N3 O6 Re -","- C14 H8 N3 O6 Re -","- C56 H32 N12 O24 Re4 -","4","1","","Klenner, Mitchell A.; Zhang, Bo; Ciancaleoni, Gianluca; Howard, James K.; Maynard-Casely, Helen E.; Clegg, Jack K.; Massi, Massimiliano; Fraser, Benjamin H.; Pascali, Giancarlo","Rhenium(i) complexation‒dissociation strategy for synthesising fluorine-18 labelled pyridine bidentate radiotracers","RSC Advances","2020","10","15","8853","8865","10.1039/D0RA00318B","","x-ray","0.71073","MoKα","","0.0444","0.039","","","0.094","0.0969","","","","","","1.01","","","","has coordinates","258106","2020-10-21","18:00:00",""
"7240000","8.193","0.0016","8.687","0.0017","10.559","0.002","95.04","0.03","93.13","0.03","97.76","0.03","740.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H7 Cl2 N2 O3 Re -","- C15 H7 Cl2 N2 O3 Re -","- C30 H14 Cl4 N4 O6 Re2 -","2","1","","Klenner, Mitchell A.; Zhang, Bo; Ciancaleoni, Gianluca; Howard, James K.; Maynard-Casely, Helen E.; Clegg, Jack K.; Massi, Massimiliano; Fraser, Benjamin H.; Pascali, Giancarlo","Rhenium(i) complexation‒dissociation strategy for synthesising fluorine-18 labelled pyridine bidentate radiotracers","RSC Advances","2020","10","15","8853","8865","10.1039/D0RA00318B","","","0.7108","Synchrotron","","0.0347","0.0331","","","0.0849","0.0858","","","","","","1.08","","","","has coordinates","258106","2020-10-21","18:00:00",""
"7240001","7.96","0.0016","17.171","0.003","10.245","0.002","90","","99.25","0.03","90","","1382.1","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H7 Cl F N2 O3 Re -","- C13 H7 Cl F N2 O3 Re -","- C52 H28 Cl4 F4 N8 O12 Re4 -","4","1","","Klenner, Mitchell A.; Zhang, Bo; Ciancaleoni, Gianluca; Howard, James K.; Maynard-Casely, Helen E.; Clegg, Jack K.; Massi, Massimiliano; Fraser, Benjamin H.; Pascali, Giancarlo","Rhenium(i) complexation‒dissociation strategy for synthesising fluorine-18 labelled pyridine bidentate radiotracers","RSC Advances","2020","10","15","8853","8865","10.1039/D0RA00318B","","","0.7108","Synchrotron","","0.0237","0.0226","","","0.0603","0.0683","","","","","","1.202","","","","has coordinates,has disorder","258106","2020-10-21","18:00:00",""
"7240002","11.318","0.002","12.872","0.003","15.669","0.003","102.17","0.03","99.94","0.03","102.5","0.03","2120.8","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H7 Cl2 N2 O3 Re -","- C13 H7 Cl2 N2 O3 Re -","- C78 H42 Cl12 N12 O18 Re6 -","6","3","","Klenner, Mitchell A.; Zhang, Bo; Ciancaleoni, Gianluca; Howard, James K.; Maynard-Casely, Helen E.; Clegg, Jack K.; Massi, Massimiliano; Fraser, Benjamin H.; Pascali, Giancarlo","Rhenium(i) complexation‒dissociation strategy for synthesising fluorine-18 labelled pyridine bidentate radiotracers","RSC Advances","2020","10","15","8853","8865","10.1039/D0RA00318B","","","0.7108","Synchrotron","","0.0389","0.0382","","","0.0959","0.0975","","","","","","1.114","","","","has coordinates","258106","2020-10-21","18:00:00",""
"7240003","14.655","0.003","10.996","0.002","9.092","0.0018","90","","107.76","0.03","90","","1395.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 Cl2 N2 O3 Re -","- C13 H7 Cl2 N2 O3 Re -","- C52 H28 Cl8 N8 O12 Re4 -","4","1","","Klenner, Mitchell A.; Zhang, Bo; Ciancaleoni, Gianluca; Howard, James K.; Maynard-Casely, Helen E.; Clegg, Jack K.; Massi, Massimiliano; Fraser, Benjamin H.; Pascali, Giancarlo","Rhenium(i) complexation‒dissociation strategy for synthesising fluorine-18 labelled pyridine bidentate radiotracers","RSC Advances","2020","10","15","8853","8865","10.1039/D0RA00318B","","","0.7108","Synchrotron","","0.059","0.0554","","","0.139","0.1411","","","","","","1.092","","","","has coordinates","258106","2020-10-21","18:00:00",""
"7240041","27.726","0.002","14.7975","0.0012","7.8558","0.0011","90","","90.294","0.011","90","","3223","0.6","293","2","293","2","","","","","","","Marine Fungus Aspergillus sp. XBB-4","4","C 1 2/c 1","-C 2yc","15","","Asperdione A","","- C14 H19 N4 O2.5 -","- C14 H19 N4 O2.5 -","- C112 H152 N32 O20 -","8","1","","Qiu, Yi; Guo, Qi; Ran, Yan-Qin; Lan, Wen-Jian; Lam, Chi-Keung; Feng, Gong-Kan; Deng, Rong; Zhu, Xiao-Feng; Li, Hou-Jin; Chen, Liu-Ping","Cytotoxic alkaloids from the marine shellfish-associated fungus Aspergillus sp. XBB-4 induced by an amino acid-directed strategy","RSC Advances","2020","10","8","4243","4250","10.1039/C9RA10306F","","","1.54178","CuKα","","0.1384","0.1196","","","0.3293","0.3607","","","","","","1.246","","","","has coordinates,has disorder","258013","2020-10-21","18:00:00",""
"7240042","4.515","0.0001","20.336","0.0005","13.1788","0.0004","90","","95.541","0.001","90","","1204.38","0.05","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H20 Co O10 -","- C28 H20 Co O10 -","- C56 H40 Co2 O20 -","2","1","","Zhang, Li-Qing; Wang, Xiu-Wen; Gu, Lei; Yu, Ying-Hui; Gao, Jin-Sheng","Three pairs of luminescent coordination polymers based on CoII and CdII clusters for the detection of antibiotics, pesticides and chiral nitro aromatic compounds","RSC Advances","2020","10","16","9476","9485","10.1039/D0RA00329H","","","0.71073","MoKα","","0.029","0.0258","","","0.0577","0.0588","","","","","","1.081","","","","has coordinates","258065","2020-10-21","18:00:00",""
"7240043","10.7678","0.0012","43.169","0.005","14.1953","0.0016","90","","102.803","0.004","90","","6434.4","1.3","303","2","303","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C124 H98 Cd6 N12 O35 -","- C124 H98 Cd6 N12 O35 -","- C248 H196 Cd12 N24 O70 -","2","1","","Zhang, Li-Qing; Wang, Xiu-Wen; Gu, Lei; Yu, Ying-Hui; Gao, Jin-Sheng","Three pairs of luminescent coordination polymers based on CoII and CdII clusters for the detection of antibiotics, pesticides and chiral nitro aromatic compounds","RSC Advances","2020","10","16","9476","9485","10.1039/D0RA00329H","","","0.71073","MoKα","","0.0637","0.0509","","","0.1284","0.1348","","","","","","1.038","","","","has coordinates","258065","2020-10-21","18:00:00",""
"7240044","10.0826","0.0009","22.83","0.002","11.2518","0.0009","90","","101.852","0.003","90","","2534.8","0.4","299","2","299","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C50 H40 Cd2 N4 O16 -","- C50 H40 Cd2 N4 O16 -","- C100 H80 Cd4 N8 O32 -","2","1","","Zhang, Li-Qing; Wang, Xiu-Wen; Gu, Lei; Yu, Ying-Hui; Gao, Jin-Sheng","Three pairs of luminescent coordination polymers based on CoII and CdII clusters for the detection of antibiotics, pesticides and chiral nitro aromatic compounds","RSC Advances","2020","10","16","9476","9485","10.1039/D0RA00329H","","","0.71073","MoKα","","0.0943","0.0599","","","0.1451","0.1708","","","","","","1.055","","","","has coordinates","258065","2020-10-21","18:00:00",""
"7240045","4.5099","0.0001","20.3181","0.0007","13.1808","0.0005","90","","95.614","0.001","90","","1202","0.07","299","2","299","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H22 Co O10 -","- C28 H22 Co O10 -","- C56 H44 Co2 O20 -","2","1","","Zhang, Li-Qing; Wang, Xiu-Wen; Gu, Lei; Yu, Ying-Hui; Gao, Jin-Sheng","Three pairs of luminescent coordination polymers based on CoII and CdII clusters for the detection of antibiotics, pesticides and chiral nitro aromatic compounds","RSC Advances","2020","10","16","9476","9485","10.1039/D0RA00329H","","","0.71073","MoKα","","0.0242","0.0228","","","0.0571","0.0578","","","","","","0.988","","","","has coordinates","258065","2020-10-21","18:00:00",""
"7240046","10.7966","0.0004","42.8603","0.0017","13.9138","0.0006","90","","101.311","0.002","90","","6313.5","0.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C124 H98 Cd6 N12 O35 -","- C124 H98 Cd6 N12 O35 -","- C248 H196 Cd12 N24 O70 -","2","1","","Zhang, Li-Qing; Wang, Xiu-Wen; Gu, Lei; Yu, Ying-Hui; Gao, Jin-Sheng","Three pairs of luminescent coordination polymers based on CoII and CdII clusters for the detection of antibiotics, pesticides and chiral nitro aromatic compounds","RSC Advances","2020","10","16","9476","9485","10.1039/D0RA00329H","","","0.71073","MoKα","","0.0959","0.0727","","","0.187","0.1992","","","","","","1.027","","","","has coordinates","258065","2020-10-21","18:00:00",""
"7240047","10.0363","0.0003","22.7634","0.0008","11.2352","0.0003","90","","101.676","0.001","90","","2513.68","0.13","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C50 H40 Cd2 N4 O16 -","- C50 H40 Cd2 N4 O16 -","- C100 H80 Cd4 N8 O32 -","2","1","","Zhang, Li-Qing; Wang, Xiu-Wen; Gu, Lei; Yu, Ying-Hui; Gao, Jin-Sheng","Three pairs of luminescent coordination polymers based on CoII and CdII clusters for the detection of antibiotics, pesticides and chiral nitro aromatic compounds","RSC Advances","2020","10","16","9476","9485","10.1039/D0RA00329H","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","258065","2020-10-21","18:00:00",""
"7240048","20.8879","0.0015","7.2791","0.0005","21.5015","0.0015","90","","96.086","0.005","90","","3250.8","0.4","173","2","173.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 N4 O3 -","- C19 H16 N4 O3 -","- C152 H128 N32 O24 -","8","1","","Changunda, Charles R. K.; Venkatesh, B. C.; Mokone, William K.; Rousseau, Amanda L.; Brady, Dean; Fernandes, Manuel A.; Bode, Moira L.","Efficient one-pot synthesis of functionalised imidazo[1,2-a]pyridines and unexpected synthesis of novel tetracyclic derivatives by nucleophilic aromatic substitution","RSC Advances","2020","10","14","8104","8114","10.1039/C9RA10447J","","","0.71073","MoKα","","0.1383","0.0444","","","0.0686","0.0847","","","","","","0.78","","","","has coordinates","258088","2020-10-21","18:00:00",""
"7240049","12.0432","0.0007","7.3016","0.0004","18.3346","0.0012","90","","96.116","0.004","90","","1603.07","0.17","173","2","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N4 O -","- C20 H16 N4 O -","- C80 H64 N16 O4 -","4","1","","Changunda, Charles R. K.; Venkatesh, B. C.; Mokone, William K.; Rousseau, Amanda L.; Brady, Dean; Fernandes, Manuel A.; Bode, Moira L.","Efficient one-pot synthesis of functionalised imidazo[1,2-a]pyridines and unexpected synthesis of novel tetracyclic derivatives by nucleophilic aromatic substitution","RSC Advances","2020","10","14","8104","8114","10.1039/C9RA10447J","","","0.71073","MoKα","","0.1629","0.041","","","0.0524","0.0687","","","","","","0.716","","","","has coordinates","258088","2020-10-21","18:00:00",""
"7240050","7.2347","0.0002","12.4282","0.0002","20.6075","0.0003","90","","90","","90","","1852.91","0.07","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H11 N O4 -","- C9 H11 N O4 -","- C72 H88 N8 O32 -","8","2","","Záborský, Ondrej; Petrovičová, Ľudmila; Doháňošová, Jana; Moncol, Ján; Fischer, Róbert","Simple and efficient synthesis of bicyclic enol-carbamates: access to brabantamides and their analogues","RSC Advances","2020","10","12","6790","6793","10.1039/D0RA00796J","","","1.54186","CuKα","","0.0269","0.0265","","","0.0717","0.0718","","","","","","1.071","","","","has coordinates","258141","2020-10-21","18:00:00",""
"7240051","9.5701","0.0001","7.7138","0.0002","11.0161","0.0002","90","","90.42","0.001","90","","813.21","0.03","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H9 N O4 -","- C8 H9 N O4 -","- C32 H36 N4 O16 -","4","2","","Záborský, Ondrej; Petrovičová, Ľudmila; Doháňošová, Jana; Moncol, Ján; Fischer, Róbert","Simple and efficient synthesis of bicyclic enol-carbamates: access to brabantamides and their analogues","RSC Advances","2020","10","12","6790","6793","10.1039/D0RA00796J","","","1.54186","CuKα","","0.0226","0.0223","","","0.0577","0.0579","","","","","","1.053","","","","has coordinates","258141","2020-10-21","18:00:00",""
"7240052","9.5249","0.0001","9.1755","0.0001","24.7518","0.0003","90","","95.845","0.001","90","","2151.95","0.04","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H38 N2 O3 -","- C22 H38 N2 O3 -","- C88 H152 N8 O12 -","4","2","","Záborský, Ondrej; Petrovičová, Ľudmila; Doháňošová, Jana; Moncol, Ján; Fischer, Róbert","Simple and efficient synthesis of bicyclic enol-carbamates: access to brabantamides and their analogues","RSC Advances","2020","10","12","6790","6793","10.1039/D0RA00796J","","","1.54186","CuKα","","0.0287","0.0282","","","0.0792","0.0806","","","","","","1.031","","","","has coordinates","258141","2020-10-21","18:00:00",""
"7240092","9.0468","0.0005","12.0453","0.0006","12.0619","0.0007","66.472","0.001","88.546","0.001","88.769","0.001","1204.65","0.11","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H49 F6 Ir2 N4 O10.5 S2 Si4 -","- C34 H48 F6 Ir2 N4 O10 S2 Si4 -","- C34 H48 F6 Ir2 N4 O10 S2 Si4 -","1","0.5","","Guzmán, Jefferson; García-Orduña, Pilar; Lahoz, Fernando J.; Fernández-Alvarez, Francisco J.","Unprecedent formation of methylsilylcarbonates from iridium-catalyzed reduction of CO2 with hydrosilanes","RSC Advances","2020","10","16","9582","9586","10.1039/D0RA00204F","","","0.71073","MoKα","","0.0134","0.0131","","","0.0323","0.0324","","","","","","1.115","","","","has coordinates","258066","2020-10-21","18:00:00",""
"7240093","11.7605","0.0007","12.7062","0.0008","37.334","0.002","90","","91.06","0.001","90","","5577.9","0.6","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H70 B2 O6 S5 V -","- C58 H69.124 B2 O6 S5 V -","- C232 H276.496 B8 O24 S20 V4 -","4","1","","Sakiyama, Hiroshi; Abiko, Takaaki; Yoshida, Kosuke; Shomura, Kaoru; Mitsuhashi, Ryoji; Koyama, Yoshiki; Mikuriya, Masahiro; Koikawa, Masayuki; Mitsumi, Minoru","Detailed magnetic analysis and successful deep-neural-network-based conformational prediction for [VO(dmso)5][BPh4]2","RSC Advances","2020","10","16","9678","9685","10.1039/D0RA00854K","","","0.71073","MoKα","","0.0833","0.0544","","","0.1136","0.1289","","","","","","1.027","","","","has coordinates,has disorder","258064","2020-10-21","18:00:00",""
"7240094","9.8339","0.0002","15.8974","0.0002","9.4749","0.0002","90","","114.464","0.002","90","","1348.26","0.05","160","1","160","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 N3 S -","- C14 H21 N3 S -","- C56 H84 N12 S4 -","4","1","","El-Emam, Ali A.; Saveeth Kumar, Elangovan; Janani, Krishnakumar; Al-Wahaibi, Lamya H.; Blacque, Olivier; El-Awady, Mohamed I.; Al-Shaalan, Nora H.; Percino, M. Judith; Thamotharan, Subbiah","Quantitative assessment of the nature of noncovalent interactions in N-substituted-5-(adamantan-1-yl)-1,3,4-thiadiazole-2-amines: insights from crystallographic and QTAIM analysis","RSC Advances","2020","10","17","9840","9853","10.1039/D0RA00733A","","x-ray","1.54184","CuKα","","0.0331","0.0321","","","0.0829","0.0839","","","","","","1.062","","","","has coordinates","258043","2020-10-21","18:00:00",""
"7240095","6.7254","0.0007","10.9787","0.0005","11.9955","0.001","116.607","0.006","94.587","0.008","90.941","0.006","788.01","0.12","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 F N3 S -","- C18 H20 F N3 S -","- C36 H40 F2 N6 S2 -","2","1","","El-Emam, Ali A.; Saveeth Kumar, Elangovan; Janani, Krishnakumar; Al-Wahaibi, Lamya H.; Blacque, Olivier; El-Awady, Mohamed I.; Al-Shaalan, Nora H.; Percino, M. Judith; Thamotharan, Subbiah","Quantitative assessment of the nature of noncovalent interactions in N-substituted-5-(adamantan-1-yl)-1,3,4-thiadiazole-2-amines: insights from crystallographic and QTAIM analysis","RSC Advances","2020","10","17","9840","9853","10.1039/D0RA00733A","","","1.54184","CuKα","","0.0725","0.0652","","","0.1988","0.2034","","","","","","1.062","","","","has coordinates","258043","2020-10-21","18:00:00",""
"7240096","6.7648","0.0002","11.4551","0.0002","11.4985","0.0002","110.417","0.002","95.24","0.002","93.613","0.002","827.26","0.03","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Br N3 S -","- C18 H20 Br N3 S -","- C36 H40 Br2 N6 S2 -","2","1","","El-Emam, Ali A.; Saveeth Kumar, Elangovan; Janani, Krishnakumar; Al-Wahaibi, Lamya H.; Blacque, Olivier; El-Awady, Mohamed I.; Al-Shaalan, Nora H.; Percino, M. Judith; Thamotharan, Subbiah","Quantitative assessment of the nature of noncovalent interactions in N-substituted-5-(adamantan-1-yl)-1,3,4-thiadiazole-2-amines: insights from crystallographic and QTAIM analysis","RSC Advances","2020","10","17","9840","9853","10.1039/D0RA00733A","","x-ray","1.54184","CuKα","","0.0241","0.0234","","","0.061","0.0614","","","","","","1.047","","","","has coordinates","258043","2020-10-21","18:00:00",""
"7240103","10.156","0.002","11.413","0.002","11.888","0.002","90","","111.69","0.03","90","","1280.4","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H38 N6 O8 -","- C19 H38 N6 O8 -","- C38 H76 N12 O16 -","2","1","","Locarno, Silvia; Argentiere, Simona; Ruffoni, Alessandro; Maggioni, Daniela; Soave, Raffaella; Bucci, Raffaella; Erba, Emanuela; Lenardi, Cristina; Gelmi, Maria Luisa; Clerici, Francesca","Self-assembled hydrophobic Ala-Aib peptide encapsulating curcumin: a convenient system for water insoluble drugs","RSC Advances","2020","10","17","9964","9975","10.1039/C9RA10981A","","","0.71073","MoKα","","0.0931","0.0417","","","0.0976","0.12","","","","","","0.962","","","","has coordinates","258047","2020-10-21","18:00:00",""
"7240104","16.8951","0.0003","18.5524","0.0003","10.2114","0.0002","90","","96.339","0.002","90","","3181.14","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H58 Cl8 N10 O6 -","- C66 H58 Cl8 N10 O6 -","- C132 H116 Cl16 N20 O12 -","2","0.5","","Prabhakaran, Perumal; Rajakumar, Perumal","Regio- and stereoselective synthesis of spiropyrrolidine-oxindole and bis-spiropyrrolizidine-oxindole grafted macrocycles through [3 + 2] cycloaddition of azomethine ylides","RSC Advances","2020","10","17","10263","10276","10.1039/C9RA10463A","","","0.71073","MoKα","","0.07","0.0556","","","0.1332","0.1511","","","","","","1.103","","","","has coordinates,has disorder","258044","2020-10-21","18:00:00",""
"7240105","9.0376","0.0002","9.5049","0.0002","11.5608","0.0002","77.439","0.002","76.725","0.002","87.542","0.002","943.39","0.03","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","4-(5-bromopyrimidin-4-yl)phenol","","- C10 H7 Br N2 O -","- C10 H7 Br N2 O -","- C40 H28 Br4 N8 O4 -","4","2","","Shcherbakov, Stanislav S.; Magometov, Artyom Yu.; Shcherbakova, Viktoriia Yu.; Aksenov, Alexander V.; Domenyuk, Dmitriy A.; Zelensky, Vladimir A.; Rubin, Michael","Electrophilic alkylation of arenes with 5-bromopyrimidine en route to 4-aryl-5-alkynylpyrimidines","RSC Advances","2020","10","17","10315","10321","10.1039/D0RA01335H","","x-ray","1.54184","CuKα","","0.0311","0.0295","","","0.0762","0.078","","","","","","1.084","","","","has coordinates","258046","2020-10-21","18:00:00",""
"7240106","10.9118","0.0006","11.6167","0.0006","13.1533","0.0007","114.9","0.002","109.637","0.002","96.01","0.002","1363.93","0.13","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C2.59 H2.52 N0.15 O0.15 -","- C2.59259 H2.51852 N0.148148 O0.148148 -","- C70 H68 N4 O4 -","27","13.5","","Gong, Jing; Peshkov, Anatoly A.; Yu, Jiafeng; Amandykova, Sagadat; Gimnkhan, Aidana; Huang, Jianjun; Kashtanov, Stepan; Pereshivko, Olga P.; Peshkov, Vsevolod A.","Three-component reaction of azulene, aryl glyoxal and 1,3-dicarbonyl compound for the synthesis of various azulene derivatives","RSC Advances","2020","10","17","10113","10117","10.1039/D0RA00356E","","x-ray","0.71073","MoKα","","0.0844","0.045","","","0.0874","0.1","","","","","","1.011","","","","has coordinates","276327","2022-06-28","14:19:59",""
"7240118","6.9735","0.0003","7.8762","0.0002","9.8077","0.0004","99.965","0.003","95.925","0.004","97.05","0.003","522.26","0.03","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 N3 O2 S -","- C11 H9 N3 O2 S -","- C22 H18 N6 O4 S2 -","2","1","","Recio, Javier; Filace, Fabiana; Gala, Elena; Pérez-Redondo, Adrián; Álvarez-Builla, Julio; Burgos, Carolina","Studies on the preparation of aminobipyridines and bipyridine sultams via an intramolecular free radical pathway","RSC Advances","2020","10","18","10447","10451","10.1039/D0RA02026E","","x-ray","0.71073","MoKα","","0.0502","0.042","","","0.1044","0.1122","","","","","","1.159","","","","has coordinates","258110","2020-10-21","18:00:00",""
"7240119","5.5415","0.0002","8.3447","0.0003","11.2281","0.0003","90","","100.172","0.001","90","","511.05","0.03","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H8 Mn Na2 O12 S2 -","- H8 Mn Na2 O12 S2 -","- H16 Mn2 Na4 O24 S4 -","2","0.5","","Ben Yahia, Hamdi; Alkhateeb, Alaa; Essehli, Rachid","Structural and thermal properties of Na2Mn(SO4)2·4H2O and Na2Ni(SO4)2·10H2O","RSC Advances","2020","10","18","10420","10430","10.1039/D0RA00301H","","x-ray","0.71073","MoKα","","0.0204","0.018","","","0.0582","0.0601","","","","1.19","1.19","1.16","","","","has coordinates","258109","2020-10-21","18:00:00",""
"7240120","12.505","0.0008","6.4812","0.0004","10.021","0.0006","90","","106.138","0.002","90","","780.17","0.08","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H20 Na2 Ni O18 S2 -","- H20 Na2 Ni O18 S2 -","- H40 Na4 Ni2 O36 S4 -","2","0.5","","Ben Yahia, Hamdi; Alkhateeb, Alaa; Essehli, Rachid","Structural and thermal properties of Na2Mn(SO4)2·4H2O and Na2Ni(SO4)2·10H2O","RSC Advances","2020","10","18","10420","10430","10.1039/D0RA00301H","","x-ray","0.71073","MoKα","","0.0459","0.0242","","","0.0703","0.0786","","","","1.17","1.17","1.11","","","","has coordinates","258109","2020-10-21","18:00:00",""
"7240121","7.3548","0.0011","22.501","0.003","18.552","0.003","90","","93.135","0.003","90","","3065.6","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 F3 N2 O2 -","- C17 H13 F3 N2 O2 -","- C136 H104 F24 N16 O16 -","8","2","","Gao, Yanhui; Zhao, Lulu; Xiang, Tianyi; Li, Pinhua; Wang, Lei","Photoinitiated decarboxylative C3-difluoroarylmethylation of quinoxalin-2(1H)-ones with potassium 2,2-difluoro-2-arylacetates in water","RSC Advances","2020","10","18","10559","10568","10.1039/D0RA02059A","","","0.71073","MoKα","","0.1032","0.0553","","","0.1259","0.1529","","","","","","1.008","","","","has coordinates","258108","2020-10-21","18:00:00",""
"7240122","10.2608","0.0018","10.32","0.002","12.223","0.003","74.779","0.006","77.127","0.006","76.006","0.008","1194.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H25 Cl2 N3 Ru S2 -","- C24 H25 Cl2 N3 Ru S2 -","- C48 H50 Cl4 N6 Ru2 S4 -","2","1","","Mansour, Ahmed M.; Radacki, Krzysztof","Experimental and DFT studies of sulfadiazine ‘piano-stool’ Ru(ii) and Rh(iii) complexes","RSC Advances","2020","10","18","10673","10680","10.1039/D0RA01085E","","","0.71073","MoKα","","0.0438","0.0397","","","0.0886","0.0912","","","","","","1.047","","","","has coordinates","258107","2020-10-21","18:00:00",""
"7240143","32.758","0.005","6.9308","0.001","15.972","0.002","90","","113.128","0.005","90","","3334.8","0.8","296","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 Co2 Mo2 N12 O13 -","- C28 H26 Co2 Mo2 N12 O13 -","- C112 H104 Co8 Mo8 N48 O52 -","4","0.5","","Wang, Xiuli; Pan, Xiang; Wang, Xiang; Li, Yan; Liu, Guocheng","Two rare {M2(MoO4)2}n chain-containing molybdate-based metal‒organic complexes with a bis-pyrazole-bis-amide ligand: fluorescent sensing and photocatalysis performance","RSC Advances","2020","10","19","11046","11053","10.1039/D0RA01420F","","","0.71073","MoKα","","0.0812","0.0466","","","0.1033","0.1166","","","","","","1.007","","","","has coordinates","258057","2020-10-21","18:00:00",""
"7240144","32.805","0.004","7.002","0.0008","15.9094","0.0019","90","","112.537","0.004","90","","3375.3","0.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 Mo2 N12 O13 P0 Zn2 -","- C28 H24 Mo2 N12 O13 Zn2 -","- C112 H96 Mo8 N48 O52 Zn8 -","4","0.5","","Wang, Xiuli; Pan, Xiang; Wang, Xiang; Li, Yan; Liu, Guocheng","Two rare {M2(MoO4)2}n chain-containing molybdate-based metal‒organic complexes with a bis-pyrazole-bis-amide ligand: fluorescent sensing and photocatalysis performance","RSC Advances","2020","10","19","11046","11053","10.1039/D0RA01420F","","","0.71073","MoKα","","0.0754","0.0383","","","0.0728","0.0846","","","","","","0.943","","","","has coordinates","258057","2020-10-21","18:00:00",""
"7240154","13.96","0.02","14.47","0.02","21.07","0.03","86.75","0.017","80.221","0.016","88.827","0.016","4187","10","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H124 Cr4 Gd8 N18 O71 -","- C108 H118 Cr4 Gd8 N18 O71 -","- C108 H118 Cr4 Gd8 N18 O71 -","1","0.5","","Han, Ye-Min; Li, Ning-Fang; Yu, Yan-Zhao; Cao, Jia-Peng; Yang, Mu-Xiu; Hong, Ya-Lin; Kang, Run-Kun; Yuan, Peng; Xu, Yan","Synthesis, crystal structures and magnetic properties of two heterometallic {Ln8Cr4} (Ln = Gd3+ and Tb3+) complexes with one-dimensional wave chain structure","RSC Advances","2020","10","19","11365","11370","10.1039/D0RA01524E","","","0.71073","MoKα","","0.0436","0.0346","","","0.0931","0.1007","","","","","","1.061","","","","has coordinates","258060","2020-10-21","18:00:00",""
"7240155","13.7114","0.0008","14.2047","0.0008","20.6032","0.0012","86.557","0.001","80.096","0.001","88.562","0.001","3945.4","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H124 Cr4 N18 O71 Tb8 -","- C108 H118 Cr4 N18 O71 Tb8 -","- C108 H118 Cr4 N18 O71 Tb8 -","1","0.5","","Han, Ye-Min; Li, Ning-Fang; Yu, Yan-Zhao; Cao, Jia-Peng; Yang, Mu-Xiu; Hong, Ya-Lin; Kang, Run-Kun; Yuan, Peng; Xu, Yan","Synthesis, crystal structures and magnetic properties of two heterometallic {Ln8Cr4} (Ln = Gd3+ and Tb3+) complexes with one-dimensional wave chain structure","RSC Advances","2020","10","19","11365","11370","10.1039/D0RA01524E","","","0.71073","MoKα","","0.0353","0.031","","","0.0871","0.0899","","","","","","1.1","","","","has coordinates","258060","2020-10-21","18:00:00",""
"7240164","9.334","0.0002","9.334","0.0002","45.4665","0.0014","90","","90","","120","","3430.5","0.15","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- Gd12 Li33 O90 Rb3 Te18 -","- Gd12 Li33 O90 Rb3 Te18 -","- Gd24 Li66 O180 Rb6 Te36 -","2","0.0555556","","Zhu, Zhi-An; He, Yu-Cong; Lv, Yang-Yang; Feng, Jiang-He; Zhou, Jian","Synthesis, structure, and electronic properties of the Li11RbGd4Te6O30 single crystal","RSC Advances","2020","10","19","11450","11454","10.1039/C9RA10163B","","","0.71073","MoKα","","0.02","0.019","","","0.0452","0.0456","","","","","","1.2","","","","has coordinates","258059","2020-10-21","18:00:00",""
"7240165","10.4559","0.0001","9.2217","0.0001","14.0803","0.0002","90","","90","","90","","1357.64","0.03","400","","400","","","","","","","","","5","P b c n","-P 2n 2ab","60","","1,2,3-trimethylimidazolium tetrachlorideferrate(III)","","- C6 H11 Cl4 Fe N2 -","- C6 H11 Cl4 Fe N2 -","- C24 H44 Cl16 Fe4 N8 -","4","0.5","","González-Izquierdo, Palmerina; Fabelo, Oscar; Beobide, Garikoitz; Cano, Israel; Ruiz de Larramendi, Idoia; Vallcorba, Oriol; Fernández, Jesús Rodríguez; Fernández-Díaz, María Teresa; de Pedro, Imanol","Crystal structure, magneto-structural correlation, thermal and electrical studies of an imidazolium halometallate molten salt: (trimim)[FeCl4]","RSC Advances","2020","10","19","11200","11209","10.1039/D0RA00245C","powder diffraction","","0.61872","Synchrotron","","","","","","","","","0.078","3.999","","","","","","","has coordinates,has disorder","258058","2020-10-21","18:00:00",""
"7240166","6.541","0.005","14.158","0.005","13.351","0.005","90","","95.59","0.005","90","","1230.5","1.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,2,3-trimethylimidazolium tetrachlorideferrate(III)","","- C6 H11 Cl4 Fe N2 -","- C6 H11 Cl4 Fe N2 -","- C24 H44 Cl16 Fe4 N8 -","4","1","","González-Izquierdo, Palmerina; Fabelo, Oscar; Beobide, Garikoitz; Cano, Israel; Ruiz de Larramendi, Idoia; Vallcorba, Oriol; Fernández, Jesús Rodríguez; Fernández-Díaz, María Teresa; de Pedro, Imanol","Crystal structure, magneto-structural correlation, thermal and electrical studies of an imidazolium halometallate molten salt: (trimim)[FeCl4]","RSC Advances","2020","10","19","11200","11209","10.1039/D0RA00245C","","","0.71073","MoKα","","0.0658","0.0528","","","0.1365","0.1445","","","","","","1.158","","","","has coordinates","258058","2020-10-21","18:00:00",""
"7240167","6.6159","0.0002","14.2024","0.0003","13.5728","0.0003","90","","95.905","0.002","90","","1268.56","0.05","250","","250","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,2,3-trimethylimidazolium tetrachlorideferrate(III)","","- C6 H11 Cl4 Fe N2 -","- C6 H11 Cl4 Fe N2 -","- C24 H44 Cl16 Fe4 N8 -","4","1","","González-Izquierdo, Palmerina; Fabelo, Oscar; Beobide, Garikoitz; Cano, Israel; Ruiz de Larramendi, Idoia; Vallcorba, Oriol; Fernández, Jesús Rodríguez; Fernández-Díaz, María Teresa; de Pedro, Imanol","Crystal structure, magneto-structural correlation, thermal and electrical studies of an imidazolium halometallate molten salt: (trimim)[FeCl4]","RSC Advances","2020","10","19","11200","11209","10.1039/D0RA00245C","powder diffraction","","0.61872","Synchrotron","","","","","","","","","0.079","2.771","","","","","","","has coordinates,has disorder","258058","2020-10-21","18:00:00",""
"7240187","15.016","0.0017","15.963","0.0014","16.766","0.0016","62.226","0.003","67.513","0.003","79.132","0.004","3285.2","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H81 N4 O16 S4 Tb -","- C60 H81 N4 O16 S4 Tb -","- C120 H162 N8 O32 S8 Tb2 -","2","1","","Ovsyannikov, A. S.; Khariushin, I. V.; Solovieva, S. E.; Antipin, I. S.; Komiya, H.; Marets, N.; Tanaka, H.; Ohmagari, H.; Hasegawa, M.; Zakrzewski, J. J.; Chorazy, S.; Kyritsakas, N.; Hosseini, M. W.; Ferlay, S.","Mixed Tb/Dy coordination ladders based on tetra(carboxymethyl)thiacalix[4]arene: a new avenue towards luminescent molecular nanomagnets","RSC Advances","2020","10","20","11755","11765","10.1039/D0RA01263G","","","0.71073","MoKα","","0.0708","0.0494","","","0.1073","0.1186","","","","","","1.011","","","","has coordinates,has disorder","258074","2020-10-21","18:00:00",""
"7240188","15.0091","0.0017","15.9798","0.0018","16.7401","0.0018","62.217","0.005","67.626","0.005","79.181","0.006","3284.5","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H81 Dy N4 O16 S4 -","- C60 H81 Dy N4 O16 S4 -","- C120 H162 Dy2 N8 O32 S8 -","2","1","","Ovsyannikov, A. S.; Khariushin, I. V.; Solovieva, S. E.; Antipin, I. S.; Komiya, H.; Marets, N.; Tanaka, H.; Ohmagari, H.; Hasegawa, M.; Zakrzewski, J. J.; Chorazy, S.; Kyritsakas, N.; Hosseini, M. W.; Ferlay, S.","Mixed Tb/Dy coordination ladders based on tetra(carboxymethyl)thiacalix[4]arene: a new avenue towards luminescent molecular nanomagnets","RSC Advances","2020","10","20","11755","11765","10.1039/D0RA01263G","","","0.71073","MoKα","","0.0756","0.0557","","","0.1391","0.1559","","","","","","1.057","","","","has coordinates,has disorder","258074","2020-10-21","18:00:00",""
"7240189","9.9101","0.0006","11.7555","0.0005","15.8011","0.0005","73.569","0.003","88.693","0.004","65.351","0.005","1595.15","0.15","293","2","293","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H64 Dy2 N6 O16 S2 -","- C62 H64 Dy2 N6 O16 S2 -","- C62 H64 Dy2 N6 O16 S2 -","1","0.5","","Yu, Shui; Zhang, Qinhua; Hu, Huancheng; Chen, Zilu; Liu, Dongcheng; Liang, Yuning; Liang, Fupei","Tuning slow magnetic relaxation behaviour in a {Dy2}-based one-dimensional chain via crystal field perturbation","RSC Advances","2020","10","20","11831","11835","10.1039/D0RA01604G","","x-ray","0.71073","MoKα","","0.051","0.0459","","","0.1351","0.1419","","","","","","1.066","","","","has coordinates","258075","2020-10-21","18:00:00",""
"7240190","9.9272","0.0002","11.8458","0.0004","15.0341","0.0004","83.259","0.003","82.471","0.002","76.012","0.002","1693.96","0.08","293","2","293","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H68 Dy2 N4 O20 -","- C64 H68 Dy2 N4 O20 -","- C64 H68 Dy2 N4 O20 -","1","0.5","","Yu, Shui; Zhang, Qinhua; Hu, Huancheng; Chen, Zilu; Liu, Dongcheng; Liang, Yuning; Liang, Fupei","Tuning slow magnetic relaxation behaviour in a {Dy2}-based one-dimensional chain via crystal field perturbation","RSC Advances","2020","10","20","11831","11835","10.1039/D0RA01604G","","x-ray","0.71073","MoKα","","0.0369","0.0356","","","0.1048","0.1068","","","","","","1.105","","","","has coordinates","258075","2020-10-21","18:00:00",""
"7240191","9.4436","0.0006","9.3899","0.0006","11.6167","0.0008","90","","91.155","0.006","90","","1029.9","0.12","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H26 N2 O8 -","- C18 H26 N2 O8 -","- C36 H52 N4 O16 -","2","1","","Wang, Hao; Tian, Di; Meng, Zhaoxiang; Chen, Zhihao; Xue, Fei; Liu, Xiao-Yu; Song, Hao; Qin, Yong","Synthetic progress toward the marine natural product zamamiphidin A","RSC Advances","2020","10","20","11903","11906","10.1039/D0RA01580F","","x-ray","0.71073","MoKα","","0.0699","0.0479","","","0.0951","0.1109","","","","","","1.066","","","","has coordinates,has disorder","258077","2020-10-21","18:00:00",""
"7240192","11.592","0.014","8.138","0.01","11.045","0.014","90","","114.12","0.02","90","","951","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H5 F N6 O6 -","- C4 H5 F N6 O6 -","- C16 H20 F4 N24 O24 -","4","1","","Huo, Huan; Zhang, Junlin; Dong, Jun; Zhai, Lianjie; Guo, Tao; Wang, Zijun; Bi, Fuqiang; Wang, Bozhou","A promising insensitive energetic material based on a fluorodinitromethyl explosophore group and 1,2,3,4-tetrahydro-1,3,5-triazine: synthesis, crystal structure and performance","RSC Advances","2020","10","20","11816","11822","10.1039/D0RA00474J","","","0.71073","MoKα","","0.1924","0.0751","","","0.1752","0.2415","","","","","","0.949","","","","has coordinates","258078","2020-10-21","18:00:00",""
"7240204","30.7919","0.0005","5.80932","0.00008","9.90381","0.00015","90","","96.4675","0.0015","90","","1760.32","0.05","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N8 O2 -","- C19 H18 N8 O2 -","- C76 H72 N32 O8 -","4","1","","Srinivasarao, Singireddi; Nandikolla, Adinarayana; Suresh, Amaroju; Calster, Kevin Van; De Voogt, Linda; Cappoen, Davie; Ghosh, Balaram; Aggarwal, Himanshu; Murugesan, Sankaranarayanan; Chandra Sekhar, Kondapalli Venkata Gowri","Seeking potent anti-tubercular agents: design and synthesis of substituted-N-(6-(4-(pyrazine-2-carbonyl)piperazine/homopiperazine-1-yl)pyridin-3-yl)benzamide derivatives as anti-tubercular agents","RSC Advances","2020","10","21","12272","12288","10.1039/D0RA01348J","","x-ray","1.54184","CuKα","","0.0461","0.043","","","0.1147","0.1173","","","","","","1.028","","","","has coordinates,has disorder","258116","2020-10-21","18:00:00",""
"7240205","8.2628","0.0002","9.9451","0.0002","12.8729","0.0003","74.307","0.002","74.059","0.002","79.348","0.002","972.22","0.04","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H19 N7 O4 -","- C21 H19 N7 O4 -","- C42 H38 N14 O8 -","2","1","","Srinivasarao, Singireddi; Nandikolla, Adinarayana; Suresh, Amaroju; Calster, Kevin Van; De Voogt, Linda; Cappoen, Davie; Ghosh, Balaram; Aggarwal, Himanshu; Murugesan, Sankaranarayanan; Chandra Sekhar, Kondapalli Venkata Gowri","Seeking potent anti-tubercular agents: design and synthesis of substituted-N-(6-(4-(pyrazine-2-carbonyl)piperazine/homopiperazine-1-yl)pyridin-3-yl)benzamide derivatives as anti-tubercular agents","RSC Advances","2020","10","21","12272","12288","10.1039/D0RA01348J","","x-ray","1.54184","CuKα","","0.0382","0.0365","","","0.098","0.0996","","","","","","1.061","","","","has coordinates","258116","2020-10-21","18:00:00",""
"7240206","5.6978","0.0001","21.2347","0.0003","16.1672","0.0002","90","","98.561","0.001","90","","1934.29","0.05","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 Cl N6 O2 -","- C21 H19 Cl N6 O2 -","- C84 H76 Cl4 N24 O8 -","4","1","","Srinivasarao, Singireddi; Nandikolla, Adinarayana; Suresh, Amaroju; Calster, Kevin Van; De Voogt, Linda; Cappoen, Davie; Ghosh, Balaram; Aggarwal, Himanshu; Murugesan, Sankaranarayanan; Chandra Sekhar, Kondapalli Venkata Gowri","Seeking potent anti-tubercular agents: design and synthesis of substituted-N-(6-(4-(pyrazine-2-carbonyl)piperazine/homopiperazine-1-yl)pyridin-3-yl)benzamide derivatives as anti-tubercular agents","RSC Advances","2020","10","21","12272","12288","10.1039/D0RA01348J","","x-ray","1.54184","CuKα","","0.0448","0.0419","","","0.1168","0.1189","","","","","","1.0284","","","","has coordinates","258116","2020-10-21","18:00:00",""
"7240217","5.345","0.0001","8.3039","0.0002","18.8962","0.0004","101.923","0.002","93.255","0.002","98.322","0.002","808.7","0.03","170","0.11","170","0.11","","","","","","","","4","P -1","-P 1","2","","","","- C38 H40 O2 S4 -","- C38 H40 O2 S4 -","- C38 H40 O2 S4 -","1","0.5","","Chen, Daoliang; Zhu, Danlei; Lin, Gaobo; Du, Mingxu; Shi, Dandan; Peng, Qian; Jiang, Lang; Liu, Zitong; Zhang, Guanxin; Zhang, Deqing","New fused conjugated molecules with fused thiophene and pyran units for organic electronic materials","RSC Advances","2020","10","21","12378","12383","10.1039/D0RA01984D","","x-ray","1.54184","CuKα","","0.063","0.0455","","","0.1057","0.1185","","","","","","1.051","","","","has coordinates","258115","2020-10-21","18:00:00",""
"7240218","8.16","0.0003","8.4682","0.0004","13.9854","0.0005","87.738","0.003","87.241","0.003","71.942","0.004","917.42","0.07","170","0.12","170","0.12","","","","","","","","4","P -1","-P 1","2","","","","- C42 H40 O2 S6 -","- C42 H40 O2 S6 -","- C42 H40 O2 S6 -","1","0.5","","Chen, Daoliang; Zhu, Danlei; Lin, Gaobo; Du, Mingxu; Shi, Dandan; Peng, Qian; Jiang, Lang; Liu, Zitong; Zhang, Guanxin; Zhang, Deqing","New fused conjugated molecules with fused thiophene and pyran units for organic electronic materials","RSC Advances","2020","10","21","12378","12383","10.1039/D0RA01984D","","x-ray","1.54184","CuKα","","0.0992","0.0897","","","0.2433","0.2565","","","","","","1.056","","","","has coordinates","258115","2020-10-21","18:00:00",""
"7240219","11.6746","0.0005","8.8149","0.0003","18.171","0.0007","90","","90","","90","","1869.99","0.13","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","DMA-BTO","","","- C4 H9 N9 O2 -","- C4 H9 N9 O2 -","- C32 H72 N72 O16 -","8","1","","Xu, Xin; Chen, Dong; Li, Hongzhen; Yan, Mi; Xiong, Ying; Zhao, Haixia; Xu, Rong","Crystal structure evolution of an energetic compound dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate induced by solvents","RSC Advances","2020","10","20","11939","11944","10.1039/D0RA01182G","","","0.71073","MoKα","","0.0484","0.0385","","","0.0952","0.1032","","","","","","1.057","","","","has coordinates","258076","2020-10-21","18:00:00",""
"7240220","8.3308","0.001","12.0024","0.0016","9.2986","0.0012","90","","105.393","0.003","90","","896.4","0.2","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","DEA-BTO","","","- C10 H24 N10 O2 -","- C10 H24 N10 O2 -","- C20 H48 N20 O4 -","2","0.25","","Xu, Xin; Chen, Dong; Li, Hongzhen; Yan, Mi; Xiong, Ying; Zhao, Haixia; Xu, Rong","Crystal structure evolution of an energetic compound dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate induced by solvents","RSC Advances","2020","10","20","11939","11944","10.1039/D0RA01182G","","","0.71073","MoKα","","0.0492","0.0402","","","0.1111","0.1183","","","","","","1.083","","","","has coordinates","258076","2020-10-21","18:00:00",""
"7240221","6.811","0.0005","7.3961","0.0005","11.6431","0.0009","73.627","0.002","82.716","0.002","83.323","0.002","556.19","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H11 N9 O4 -","- C5 H11 N9 O4 -","- C10 H22 N18 O8 -","2","1","","Xu, Xin; Chen, Dong; Li, Hongzhen; Yan, Mi; Xiong, Ying; Zhao, Haixia; Xu, Rong","Crystal structure evolution of an energetic compound dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate induced by solvents","RSC Advances","2020","10","20","11939","11944","10.1039/D0RA01182G","","","0.71073","MoKα","","0.0551","0.0422","","","0.1001","0.1103","","","","","","1.065","","","","has coordinates","258076","2020-10-21","18:00:00",""
"7240222","11.666","0.005","8.002","0.005","33.179","0.005","90","","99.513","0.005","90","","3055","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cl N5 O5.5 -","- C13 H11 Cl N5 O5.5 -","- C104 H88 Cl8 N40 O44 -","8","2","","Alves, Marina A.; de Queiroz, Aline C.; Leite, Anderson Brandão; Martins, Felipe T.; Doriguetto, Antonio C.; Barreiro, Eliezer J.; Alexandre-Moreira, Magna S.; Lima, Lídia M.","Carbamoyl-N-aryl-imine-urea: a new framework to obtain a putative leishmanicidal drug-candidate","RSC Advances","2020","10","21","12384","12394","10.1039/D0RA00287A","","","0.71069","MoKα","","0.1698","0.0594","","","0.1243","0.1689","","","","","","0.952","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7240229","14.242","0.0009","10.3185","0.0007","16.3776","0.0009","90","","90","","90","","2406.8","0.3","178","","178","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C28 H35 N P2 -","- C28 H20 N P2 -","- C112 H80 N4 P8 -","4","0.5","","Liang, Wenbin; Nakajima, Kazunari; Nishibayashi, Yoshiaki","Synthesis of 1,2,4-azadiphosphole derivatives based on vanadium-catalyzed [2+2+1] cycloaddition reactions of azobenzenes with phosphaalkynes","RSC Advances","2020","10","22","12730","12733","10.1039/D0RA02503H","","","0.71075","MoKα","","0.1625","0.1398","","","0.2387","0.2519","","","","","","1","","","","has coordinates","257972","2020-10-21","18:00:00",""
"7240236","9.0895","0.0002","15.5758","0.0003","7.7921","0.0002","90","","102.169","0.002","90","","1078.39","0.04","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N8 Ni O6 -","- C20 H22 N8 Ni O6 -","- C40 H44 N16 Ni2 O12 -","2","0.5","","Zhang, Ya-Jie; Yin, Lei; Li, Jing; Hu, Zhao-Bo; Ouyang, Zhong-Wen; Song, You; Wang, Zhenxing","Synthesis, crystal structures, HF-EPR, and magnetic properties of six-coordinate transition metal (Co, Ni, and Cu) compounds with a 4-amino-1,2,4-triazole Schiff-base ligand","RSC Advances","2020","10","22","12833","12840","10.1039/C9RA10851C","","x-ray","1.54184","CuKα","","0.0388","0.0338","","","0.0868","0.0929","","","","","","1.074","","","","has coordinates","257971","2020-10-21","18:00:00",""
"7240237","6.9439","0.0003","9.74","0.0004","10.3973","0.0004","63.431","0.004","77.659","0.004","73.969","0.004","601.15","0.05","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H10 Ce Cl O9 -","- C8 H10 Ce Cl O9 -","- C16 H20 Ce2 Cl2 O18 -","2","1","","Hussain, Sajjad; Chen, Xuenian; Harrison, William T. A.; Ahmad, Saeed; Sharif, Shahzad; Su, Jian; Muhammad, Shabbir; Li, Shujun","Synthesis, crystal structures and, magnetic and photoluminescence properties of lanthanide-based metal‒organic frameworks constructed with 2,5-dihydroxybenzene-1,4-dicarboxylic acid","RSC Advances","2020","10","22","12841","12850","10.1039/D0RA01294G","","","1.54184","CuKα","","0.0316","0.0287","","","0.064","0.0651","","","","","","1.018","","","","has coordinates","257973","2020-10-21","18:00:00",""
"7240238","12.5257","0.00012","14.44759","0.00014","14.23151","0.00013","90","","106.789","0.001","90","","2465.64","0.04","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 O15 Tb -","- C18 H30 O15 Tb -","- C72 H120 O60 Tb4 -","4","1","","Hussain, Sajjad; Chen, Xuenian; Harrison, William T. A.; Ahmad, Saeed; Sharif, Shahzad; Su, Jian; Muhammad, Shabbir; Li, Shujun","Synthesis, crystal structures and, magnetic and photoluminescence properties of lanthanide-based metal‒organic frameworks constructed with 2,5-dihydroxybenzene-1,4-dicarboxylic acid","RSC Advances","2020","10","22","12841","12850","10.1039/D0RA01294G","","","1.54184","CuKα","","0.0313","0.0287","","","0.0721","0.0735","","","","","","1.053","","","","has coordinates,has disorder","257973","2020-10-21","18:00:00",""
"7240239","12.5345","0.0002","14.4309","0.0002","14.2786","0.0002","90","","106.348","0.001","90","","2478.35","0.06","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 Eu O15 -","- C18 H30 Eu O15 -","- C72 H120 Eu4 O60 -","4","1","","Hussain, Sajjad; Chen, Xuenian; Harrison, William T. A.; Ahmad, Saeed; Sharif, Shahzad; Su, Jian; Muhammad, Shabbir; Li, Shujun","Synthesis, crystal structures and, magnetic and photoluminescence properties of lanthanide-based metal‒organic frameworks constructed with 2,5-dihydroxybenzene-1,4-dicarboxylic acid","RSC Advances","2020","10","22","12841","12850","10.1039/D0RA01294G","","","1.54184","CuKα","","0.037","0.0325","","","0.084","0.0883","","","","","","1.031","","","","has coordinates,has disorder","257973","2020-10-21","18:00:00",""
"7240240","12.53408","0.00013","14.43816","0.00018","14.25451","0.00016","90","","106.533","0.0012","90","","2472.97","0.05","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 Gd O15 -","- C18 H30 Gd O15 -","- C72 H120 Gd4 O60 -","4","1","","Hussain, Sajjad; Chen, Xuenian; Harrison, William T. A.; Ahmad, Saeed; Sharif, Shahzad; Su, Jian; Muhammad, Shabbir; Li, Shujun","Synthesis, crystal structures and, magnetic and photoluminescence properties of lanthanide-based metal‒organic frameworks constructed with 2,5-dihydroxybenzene-1,4-dicarboxylic acid","RSC Advances","2020","10","22","12841","12850","10.1039/D0RA01294G","","","1.54184","CuKα","","0.0276","0.0249","","","0.0582","0.0596","","","","","","1.065","","","","has coordinates,has disorder","257973","2020-10-21","18:00:00",""
"7240241","14.7258","0.0002","17.0253","0.0002","17.5571","0.0003","90","","105.655","0.0018","90","","4238.48","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H44 N2 O Si -","- C51 H44 N2 O Si -","- C204 H176 N8 O4 Si4 -","4","1","","Aradhyula, Basava Punna Rao; Ranga Naidu Chinta, Ramu V.; Dhanunjayarao, Kunchala; Venkatasubbaiah, Krishnan","Synthesis and characterization of poly(tetraphenylimidazole)s and their application in the detection of fluoride ions","RSC Advances","2020","10","22","13149","13154","10.1039/D0RA01559H","","x-ray","1.54184","CuKα","","0.0601","0.0535","","","0.1564","0.1627","","","","","","1.087","","","","has coordinates","257974","2020-10-21","18:00:00",""
"7240246","16.179","0.002","8.8178","0.0015","17.233","0.002","90","","103.819","0.013","90","","2387.4","0.6","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H30 N2 O4 -","- C28 H30 N2 O4 -","- C56 H60 N4 O8 -","2","1","","El-Harairy, Ahmed; Shaheen, Mennatallah; Li, Jun; Wu, Yuzhou; Li, Minghao; Gu, Yanlong","Synthesis of α-indolylacrylates as potential anticancer agents using a Brønsted acid ionic liquid catalyst and the butyl acetate solvent","RSC Advances","2020","10","23","13507","13516","10.1039/D0RA00990C","","x-ray","0.71073","MoKα","","0.0787","0.0732","","","0.199","0.2059","","","","","","1.07","","","","has coordinates","258111","2020-10-21","18:00:00",""
"7240251","11.8148","0.0003","9.6634","0.0002","20.8234","0.0005","90","","98.5727","0.001","90","","2350.87","0.1","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N3 O6 -","- C25 H27 N3 O6 -","- C100 H108 N12 O24 -","4","1","","Palanimuthu, Arunan; Chen, Chinpiao; Lee, Gene-Hsian","Synthesis of highly substituted tetrahydroquinolines using ethyl cyanoacetate via aza-Michael‒Michael addition","RSC Advances","2020","10","23","13591","13600","10.1039/D0RA01264E","","","1.54178","CuKα","","0.0481","0.0392","","","0.0947","0.104","","","","","","1.037","","","","has coordinates,has disorder","258112","2020-10-21","18:00:00",""
"7240252","9.4969","0.0002","12.723","0.0003","20.1047","0.0005","89.5889","0.0012","87.0347","0.0011","88.2917","0.0012","2424.86","0.1","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H27 N3 O6 -","- C25 H27 N3 O6 -","- C100 H108 N12 O24 -","4","2","","Palanimuthu, Arunan; Chen, Chinpiao; Lee, Gene-Hsian","Synthesis of highly substituted tetrahydroquinolines using ethyl cyanoacetate via aza-Michael‒Michael addition","RSC Advances","2020","10","23","13591","13600","10.1039/D0RA01264E","","","1.54178","CuKα","","0.0559","0.0468","","","0.1169","0.1267","","","","","","1.029","","","","has coordinates,has disorder","258112","2020-10-21","18:00:00",""
"7240257","10.97","0.004","12.408","0.004","12.818","0.004","101.383","0.004","111.028","0.004","108.089","0.004","1451.3","0.8","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C10 H58 Cu4 N10 O48 Si W11 -","- C10 H40 Cu4 N10 O47 Si W11 -","- C10 H40 Cu4 N10 O47 Si W11 -","1","1","","Yang, Mu-Xiu; Zhou, Meng-Jie; Cao, Jia-Peng; Han, Ye-Min; Hong, Ya-Lin; Xu, Yan","Application of temperature-controlled chiral hybrid structures constructed from copper(ii)-monosubstituted Keggin polyoxoanions and copper(ii)-organoamine complexes in enantioselective sensing of tartaric acid","RSC Advances","2020","10","23","13759","13765","10.1039/D0RA01904F","","","0.71073","MoKα","","0.0565","0.0517","","","0.1249","0.1356","","","","","","1.029","","","","has coordinates","258113","2020-10-21","18:00:00",""
"7240258","10.9871","0.0011","12.3354","0.0012","12.7954","0.0013","101.807","0.001","110.331","0.001","107.718","0.001","1452.5","0.3","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C10 H58 Cu4 N10 O48 Si W11 -","- C10 H40 Cu4 N10 O48 Si W11 -","- C10 H40 Cu4 N10 O48 Si W11 -","1","1","","Yang, Mu-Xiu; Zhou, Meng-Jie; Cao, Jia-Peng; Han, Ye-Min; Hong, Ya-Lin; Xu, Yan","Application of temperature-controlled chiral hybrid structures constructed from copper(ii)-monosubstituted Keggin polyoxoanions and copper(ii)-organoamine complexes in enantioselective sensing of tartaric acid","RSC Advances","2020","10","23","13759","13765","10.1039/D0RA01904F","","","0.71073","MoKα","","0.0591","0.0483","","","0.1304","0.1697","","","","","","1.1","","","","has coordinates","258113","2020-10-21","18:00:00",""
"7240259","18.9","0.005","23.208","0.006","26.175","0.007","90","","96.397","0.003","90","","11410","5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H55 Cu4 N12 O42.5 Si W11 -","- C12 H48 Cu4 N12 O42.5 Si W11 -","- C96 H384 Cu32 N96 O340 Si8 W88 -","8","2","","Yang, Mu-Xiu; Zhou, Meng-Jie; Cao, Jia-Peng; Han, Ye-Min; Hong, Ya-Lin; Xu, Yan","Application of temperature-controlled chiral hybrid structures constructed from copper(ii)-monosubstituted Keggin polyoxoanions and copper(ii)-organoamine complexes in enantioselective sensing of tartaric acid","RSC Advances","2020","10","23","13759","13765","10.1039/D0RA01904F","","","0.71073","MoKα","","0.1031","0.0718","","","0.1717","0.1841","","","","","","1.052","","","","has coordinates,has disorder","258113","2020-10-21","18:00:00",""
"7240260","8.8979","0.001","16.1189","0.0018","10.7902","0.0012","90","","98.182","0.003","90","","1531.8","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N3 -","- C19 H17 N3 -","- C76 H68 N12 -","4","1","","Huang, Jiangkun; Luo, Lan; Xing, Naiguo; Gu, Linghui; Li, Chen; Han, Qiao; Zheng, Shilong; He, Ling","Novel synthesis of divergent aryl imidazoles from ketones involving copper-catalyzed α-amination and oxidative C‒C bond cleavage","RSC Advances","2020","10","23","13815","13819","10.1039/D0RA01408G","","","0.71073","MoKα","","0.0787","0.0511","","","0.1135","0.1279","","","","","","1.028","","","","has coordinates","258114","2020-10-21","18:00:00",""
"7240261","9.8331","0.0014","20.335","0.003","9.8331","0.0014","90","","90","","90","","1966.2","0.5","293","2","293","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C11 H11 F0.5 N2 -","- C11 H11 F0.5 N2 -","- C88 H88 F4 N16 -","8","1","","Huang, Jiangkun; Luo, Lan; Xing, Naiguo; Gu, Linghui; Li, Chen; Han, Qiao; Zheng, Shilong; He, Ling","Novel synthesis of divergent aryl imidazoles from ketones involving copper-catalyzed α-amination and oxidative C‒C bond cleavage","RSC Advances","2020","10","23","13815","13819","10.1039/D0RA01408G","","","0.71073","MoKα","","0.0596","0.0544","","","0.125","0.1283","","","","","","1.197","","","","has coordinates","258114","2020-10-21","18:00:00",""
"7240262","9.612","0.003","7.441","0.002","24.001","0.007","90","","90","","90","","1716.6","0.9","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H10 N2 -","- C10 H10 N2 -","- C80 H80 N16 -","8","1","","Huang, Jiangkun; Luo, Lan; Xing, Naiguo; Gu, Linghui; Li, Chen; Han, Qiao; Zheng, Shilong; He, Ling","Novel synthesis of divergent aryl imidazoles from ketones involving copper-catalyzed α-amination and oxidative C‒C bond cleavage","RSC Advances","2020","10","23","13815","13819","10.1039/D0RA01408G","","","0.71073","MoKα","","0.1112","0.0565","","","0.11","0.1333","","","","","","1.103","","","","has coordinates","258114","2020-10-21","18:00:00",""
"7240267","9.8999","0.0003","15.9931","0.0004","15.6852","0.0005","90","","104.928","0.003","90","","2399.62","0.13","295","2","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 Cl N2 O4 -","- C26 H25 Cl N2 O4 -","- C104 H100 Cl4 N8 O16 -","4","1","","Filatov, Vadim; Kukushkin, Maksim; Kuznetsova, Juliana; Skvortsov, Dmitry; Tafeenko, Viktor; Zyk, Nikolay; Majouga, Alexander; Beloglazkina, Elena","Synthesis of 1,3-diaryl-spiro[azetidine-2,3′-indoline]-2′,4-diones via the Staudinger reaction: cis- or trans-diastereoselectivity with different addition modes","RSC Advances","2020","10","24","14122","14133","10.1039/D0RA02374D","","","1.54186","CuKα","","0.0711","0.0439","","","0.1165","0.1292","","","","","","0.929","","","","has coordinates","257965","2020-10-21","18:00:00",""
"7240268","11.7246","0.0002","11.7246","0.0002","27.1515","0.0004","90","","90","","90","","3732.41","0.11","295","2","295","","","","","","","","","6","P 41","P 4w","76","","","","- C22 H14 Cl F N2 O2 -","- C22 H14 Cl F N2 O2 -","- C176 H112 Cl8 F8 N16 O16 -","8","2","","Filatov, Vadim; Kukushkin, Maksim; Kuznetsova, Juliana; Skvortsov, Dmitry; Tafeenko, Viktor; Zyk, Nikolay; Majouga, Alexander; Beloglazkina, Elena","Synthesis of 1,3-diaryl-spiro[azetidine-2,3′-indoline]-2′,4-diones via the Staudinger reaction: cis- or trans-diastereoselectivity with different addition modes","RSC Advances","2020","10","24","14122","14133","10.1039/D0RA02374D","","","1.54186","CuKα","","0.0685","0.0621","","","0.1663","0.1728","","","","","","1.091","","","","has coordinates","257965","2020-10-21","18:00:00",""
"7240269","11.6632","0.0002","11.6632","0.0002","27.4472","0.0009","90","","90","","90","","3733.65","0.15","295","2","295","","","","","","","","","6","P 41","P 4w","76","","","","- C22 H14 Cl F N2 O2 -","- C22 H14 Cl F N2 O2 -","- C176 H112 Cl8 F8 N16 O16 -","8","2","","Filatov, Vadim; Kukushkin, Maksim; Kuznetsova, Juliana; Skvortsov, Dmitry; Tafeenko, Viktor; Zyk, Nikolay; Majouga, Alexander; Beloglazkina, Elena","Synthesis of 1,3-diaryl-spiro[azetidine-2,3′-indoline]-2′,4-diones via the Staudinger reaction: cis- or trans-diastereoselectivity with different addition modes","RSC Advances","2020","10","24","14122","14133","10.1039/D0RA02374D","","","1.54186","CuKα","","0.0892","0.0409","","","0.0756","0.0918","","","","","","0.833","","","","has coordinates","257965","2020-10-21","18:00:00",""
"7240270","14.3504","0.0005","9.0371","0.0002","20.1515","0.0007","90","","107.169","0.002","90","","2496.91","0.14","295","2","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Cl F N2 O3 -","- C26 H24 Cl F N2 O3 -","- C104 H96 Cl4 F4 N8 O12 -","4","1","","Filatov, Vadim; Kukushkin, Maksim; Kuznetsova, Juliana; Skvortsov, Dmitry; Tafeenko, Viktor; Zyk, Nikolay; Majouga, Alexander; Beloglazkina, Elena","Synthesis of 1,3-diaryl-spiro[azetidine-2,3′-indoline]-2′,4-diones via the Staudinger reaction: cis- or trans-diastereoselectivity with different addition modes","RSC Advances","2020","10","24","14122","14133","10.1039/D0RA02374D","","","1.54186","CuKα","","0.0639","0.0463","","","0.1338","0.1426","","","","","","1.025","","","","has coordinates","257965","2020-10-21","18:00:00",""
"7240271","11.6433","0.0004","11.6433","0.0004","27.2378","0.0012","90","","90","","90","","3692.5","0.2","295","2","295","","","","","","","","","6","P 41","P 4w","76","","","","- C22 H14 Cl F N2 O2 -","- C22 H14 Cl F N2 O2 -","- C176 H112 Cl8 F8 N16 O16 -","8","2","","Filatov, Vadim; Kukushkin, Maksim; Kuznetsova, Juliana; Skvortsov, Dmitry; Tafeenko, Viktor; Zyk, Nikolay; Majouga, Alexander; Beloglazkina, Elena","Synthesis of 1,3-diaryl-spiro[azetidine-2,3′-indoline]-2′,4-diones via the Staudinger reaction: cis- or trans-diastereoselectivity with different addition modes","RSC Advances","2020","10","24","14122","14133","10.1039/D0RA02374D","","","0.71073","MoKα","","0.21","0.0864","","","0.1717","0.2662","","","","","","0.929","","","","has coordinates","257965","2020-10-21","18:00:00",""
"7240287","7.1908","0.0004","15.8291","0.0008","20.6394","0.0011","90","","90","","90","","2349.3","0.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","N-(Phenyl-6-deoxy-2,3,4-tri-O-methyl-β-D-glucopyranosid-6-yl)-pyridinium trifluoromethanesulfonate","","- C21 H26 F3 N O8 S -","- C21 H26 F3 N O8 S -","- C84 H104 F12 N4 O32 S4 -","4","1","","Reiß, Melanie; Brietzke, Andreas; Eickner, Thomas; Stein, Florian; Villinger, Alexander; Vogel, Christian; Kragl, Udo; Jopp, Stefan","Synthesis of novel carbohydrate based pyridinium ionic liquids and cytotoxicity of ionic liquids for mammalian cells","RSC Advances","2020","10","24","14299","14304","10.1039/D0RA01370F","","","0.71073","MoKα","","0.1011","0.0499","","","0.1001","0.1178","","","","","","1.022","","","","has coordinates","257964","2020-10-21","18:00:00",""
"7240288","16.0965","0.0011","8.7488","0.0006","13.4481","0.0009","90","","121.558","0.003","90","","1613.8","0.2","123","2","123","2","","","","","","","","5","C 1 2 1","C 2y","5","","N-(1,4-anhydro-5-deoxy-2,3-O-isopropyliden-D-ribitol-5-yl)-pyridinium mesylate","","- C14 H22 N O6.5 S -","- C14 H22 N O6.5 S -","- C56 H88 N4 O26 S4 -","4","1","","Reiß, Melanie; Brietzke, Andreas; Eickner, Thomas; Stein, Florian; Villinger, Alexander; Vogel, Christian; Kragl, Udo; Jopp, Stefan","Synthesis of novel carbohydrate based pyridinium ionic liquids and cytotoxicity of ionic liquids for mammalian cells","RSC Advances","2020","10","24","14299","14304","10.1039/D0RA01370F","","","0.71073","MoKα","","0.0432","0.0397","","","0.0929","0.0954","","","","","","1.052","","","","has coordinates","257964","2020-10-21","18:00:00",""
"7240289","15.5061","0.0009","6.3564","0.0004","24.1497","0.0013","90","","100.865","0.003","90","","2337.6","0.2","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","N-(Methyl-6-deoxy-2,3,4-tri-O-ethyl-β-D-glucopyranosid-6-yl)-pyridinium trifluoromethanesulfonate","","- C19 H30 F3 N O8 S -","- C19 H30 F3 N O8 S -","- C76 H120 F12 N4 O32 S4 -","4","1","","Reiß, Melanie; Brietzke, Andreas; Eickner, Thomas; Stein, Florian; Villinger, Alexander; Vogel, Christian; Kragl, Udo; Jopp, Stefan","Synthesis of novel carbohydrate based pyridinium ionic liquids and cytotoxicity of ionic liquids for mammalian cells","RSC Advances","2020","10","24","14299","14304","10.1039/D0RA01370F","","","0.71073","MoKα","","0.0526","0.046","","","0.1067","0.1121","","","","","","1.077","","","","has coordinates","257964","2020-10-21","18:00:00",""
"7240292","14.63788","0.00016","14.63788","0.00016","13.6616","0.0002","90","","90","","120","","2535.06","0.05","109.9","0.1","109.9","0.1","","","","","","","","3","P 64","P 64","172","","","","- C19 H20 O5 -","- C19 H20 O5 -","- C114 H120 O30 -","6","1","","Yin, Zhao-Kun; Feng, Zi-Ming; Jiang, Jian-Shuang; Zhang, Xu; Zhang, Pei-Cheng; Yang, Ya-Nan","New diterpenoid quinones derived from Salvia miltiorrhiza and their cytotoxic and neuroprotective activities","RSC Advances","2020","10","24","14235","14242","10.1039/D0RA02022B","","x-ray","1.54184","CuKα","","0.0308","0.0305","","","0.0769","0.0771","","","","","","1.082","","","","has coordinates,has disorder","257963","2020-10-21","18:00:00",""
"7240293","29.725","0.0014","7.9068","0.0003","15.6809","0.0009","90","","108.574","0.004","90","","3493.5","0.3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 Br N O4 -","- C18 H20 Br N O4 -","- C144 H160 Br8 N8 O32 -","8","1","","Beil, Sebastian B.; Breiner, Manuel; Schulz, Lara; Schüll, Aaron; Müller, Timo; Schollmeyer, Dieter; Bomm, Alexander; Holtkamp, Michael; Karst, Uwe; Schade, Wolfgang; Waldvogel, Siegfried R.","About the selectivity and reactivity of active nickel electrodes in C‒C coupling reactions","RSC Advances","2020","10","24","14249","14253","10.1039/D0RA02673E","","","0.71073","MoKα","","0.0635","0.0448","","","0.089","0.0981","","","","","","1.063","","","","has coordinates,has disorder","257962","2020-10-21","18:00:00",""
"7240294","9.6368","0.0013","15.6248","0.0016","16.1815","0.0018","90","","90","","90","","2436.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","180618a","","- C30 H22 N2 O2 -","- C30 H22 N2 O2 -","- C120 H88 N8 O8 -","4","1","","Zhang, Mengxing; Li, Jiale; Yu, Lirong; Wang, Xi; Bai, Ming","Tuning the fluorescence based on the combination of TICT and AIE emission of a tetraphenylethylene with D‒π‒A structure","RSC Advances","2020","10","25","14520","14524","10.1039/D0RA00107D","","","1.54184","CuKα","","0.1773","0.126","","","0.3479","0.4183","","","","","","1.372","","","","has coordinates","258068","2020-10-21","18:00:00",""
"7240324","5.8958","0.0002","15.5043","0.0009","17.198","0.0006","90","","99.277","0.004","90","","1551.51","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 F3 N O3 -","- C19 H12 F3 N O3 -","- C76 H48 F12 N4 O12 -","4","1","","Shi, Lijun; Liu, Ying; Wang, Caixia; Yuan, Xinxin; Liu, Xiaobiao; Wu, Lulu; Pan, Zhenliang; Yu, Qicheng; Xu, Cuilian; Yang, Guoyu","Synthesis of 1-(β-coumarinyl)-1-(β-indolyl)trifluoroethanols through regioselective Friedel‒Crafts alkylation of indoles with β-(trifluoroacetyl)coumarins catalyzed by Sc(OTf)3","RSC Advances","2020","10","24","13929","13935","10.1039/D0RA01237H","","x-ray","1.54184","CuKα","","0.0725","0.0522","","","0.1273","0.1504","","","","","","1.002","","","","has coordinates","257966","2020-10-21","18:00:00",""
"7240325","22.171","0.001","8.6836","0.0003","32.4701","0.0014","90","","111.054","0.005","90","","5834","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 F3 N O5 -","- C27 H20 F3 N O5 -","- C216 H160 F24 N8 O40 -","8","1","","Shi, Lijun; Liu, Ying; Wang, Caixia; Yuan, Xinxin; Liu, Xiaobiao; Wu, Lulu; Pan, Zhenliang; Yu, Qicheng; Xu, Cuilian; Yang, Guoyu","Synthesis of 1-(β-coumarinyl)-1-(β-indolyl)trifluoroethanols through regioselective Friedel‒Crafts alkylation of indoles with β-(trifluoroacetyl)coumarins catalyzed by Sc(OTf)3","RSC Advances","2020","10","24","13929","13935","10.1039/D0RA01237H","","x-ray","1.54184","CuKα","","0.2465","0.2308","","","0.521","0.5449","","","","","","2.354","","","","has coordinates","257966","2020-10-21","18:00:00",""
"7240328","7.3043","0.0005","8.8329","0.0006","9.7206","0.0007","65.294","0.003","70.106","0.003","79.466","0.003","535.14","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H24 N6 Ni O12 -","- C12 H24 N6 Ni O12 -","- C12 H24 N6 Ni O12 -","1","0.5","","Halevi, Oded; Chen, Jingwei; Thangavel, Gurunathan; Morris, Samuel Alexander; Ben Uliel, Tal; Tischler, Yaakov Raphael; Lee, Pooi See; Magdassi, Shlomo","Synthesis through 3D printing: formation of 3D coordination polymers","RSC Advances","2020","10","25","14812","14817","10.1039/D0RA01887B","","","0.71073","MoKα","","0.0353","0.03","","","0.0819","0.0881","","","","","","1.076","","","","has coordinates","258069","2020-10-21","18:00:00",""
"7240339","19.1997","0.0011","7.7319","0.0004","16.5888","0.001","90","","95.914","0.005","90","","2449.5","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-{[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]sulfanyl}phenol","","- C12 H14 N2 O S -","- C12 H14 N2 O S -","- C96 H112 N16 O8 S8 -","8","1","","Akhmetova, Vnira R.; Akhmadiev, Nail S.; Abdullin, Marat F.; Dzhemileva, Lilya U.; D'yakonov, Vladimir A.","Synthesis of new N,N′-Pd(Pt) complexes based on sulfanyl pyrazoles, and investigation of their in vitro anticancer activity","RSC Advances","2020","10","26","15116","15123","10.1039/C9RA09783J","","x-ray","0.71073","MoKα","","0.0644","0.0461","","","0.118","0.1323","","","","","","1.041","","","","has coordinates","258035","2020-10-21","18:00:00",""
"7240359","29.004","0.004","37.698","0.006","4.4554","0.0007","90","","90","","90","","4871.5","1.3","273","2","273","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C224 H192 N32 O32 -","16","1","","Dhawa, Tanumoy; Hazra, Ananta; Barma, Arpita; Pal, Kunal; Karmakar, Parimal; Roy, Partha","4-Methyl-2,6-diformylphenol based biocompatible chemosensors for pH: discrimination between normal cells and cancer cells","RSC Advances","2020","10","26","15501","15513","10.1039/D0RA00754D","","","0.71073","MoKα","","0.1715","0.0919","","","0.1377","0.1637","","","","","","1.223","","","","has coordinates","258034","2020-10-21","18:00:00",""
"7240360","7.4213","0.001","4.2957","0.0005","19.13","0.003","90","","92.66","0.004","90","","609.2","0.14","273","2","273","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C28 H24 N4 O4 -","2","1","","Dhawa, Tanumoy; Hazra, Ananta; Barma, Arpita; Pal, Kunal; Karmakar, Parimal; Roy, Partha","4-Methyl-2,6-diformylphenol based biocompatible chemosensors for pH: discrimination between normal cells and cancer cells","RSC Advances","2020","10","26","15501","15513","10.1039/D0RA00754D","","","0.71073","MoKα","","0.0909","0.0616","","","0.1704","0.2011","","","","","","1.092","","","","has coordinates","258034","2020-10-21","18:00:00",""
"7240361","16.0432","0.0014","9.9874","0.0009","18.9604","0.0014","90","","101.956","0.008","90","","2972.1","0.4","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N4 O2 -","- C17 H14 N4 O2 -","- C136 H112 N32 O16 -","8","2","","Ibrahim, Hamada Mohamed; Behbehani, Haider; Ahmed Arafa, Wael Abdelgayed","A facile, practical and metal-free microwave-assisted protocol for mono- and bis-[1,2,4]triazolo[1,5-a]pyridines synthesis utilizing 1-amino-2-imino-pyridine derivatives as versatile precursors","RSC Advances","2020","10","26","15554","15572","10.1039/D0RA02256J","","","0.71075","MoKα","","","0.0638","","","","0.2194","","","","","","1.041","","","","has coordinates","258033","2020-10-21","18:00:00",""
"7240362","8.9886","0.0008","12.8468","0.001","15.1372","0.0012","71.352","0.004","80.896","0.004","86.548","0.005","1635.2","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Hamada_GH180_18_11_18","","","- C19 H12 Cl N5 -","- C19 H12 Cl N5 -","- C76 H48 Cl4 N20 -","4","2","","Ibrahim, Hamada Mohamed; Behbehani, Haider; Ahmed Arafa, Wael Abdelgayed","A facile, practical and metal-free microwave-assisted protocol for mono- and bis-[1,2,4]triazolo[1,5-a]pyridines synthesis utilizing 1-amino-2-imino-pyridine derivatives as versatile precursors","RSC Advances","2020","10","26","15554","15572","10.1039/D0RA02256J","","","1.54178","CuKα","","0.0565","0.0441","","","0.1321","0.1438","","","","","","1.598","","","","has coordinates","258033","2020-10-21","18:00:00",""
"7240363","7.653","0.011","6.928","0.009","32.82","0.04","90","","94.79","0.03","90","","1734","4","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 Cl N4 -","- C21 H13 Cl N4 -","- C84 H52 Cl4 N16 -","4","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider; Ahmed Arafa, Wael Abdelgayed","A facile, practical and metal-free microwave-assisted protocol for mono- and bis-[1,2,4]triazolo[1,5-a]pyridines synthesis utilizing 1-amino-2-imino-pyridine derivatives as versatile precursors","RSC Advances","2020","10","26","15554","15572","10.1039/D0RA02256J","","","0.71075","MoKα","","","0.08","","","","0.2474","","","","","","1.018","","","","has coordinates","258033","2020-10-21","18:00:00",""
"7240364","13.8452","0.0019","7.5282","0.0011","30.459","0.004","90","","90","","90","","3174.7","0.8","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H11 Br N4 O2 -","- C16 H11 Br N4 O2 -","- C128 H88 Br8 N32 O16 -","8","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider; Ahmed Arafa, Wael Abdelgayed","A facile, practical and metal-free microwave-assisted protocol for mono- and bis-[1,2,4]triazolo[1,5-a]pyridines synthesis utilizing 1-amino-2-imino-pyridine derivatives as versatile precursors","RSC Advances","2020","10","26","15554","15572","10.1039/D0RA02256J","","","0.71075","MoKα","","","0.0807","","","","0.2489","","","","","","0.963","","","","has coordinates","258033","2020-10-21","18:00:00",""
"7240365","3.8851","0.0009","19.35","0.004","14.116","0.003","90","","95.964","0.007","90","","1055.5","0.4","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cl N3 -","- C12 H8 Cl N3 -","- C48 H32 Cl4 N12 -","4","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider; Ahmed Arafa, Wael Abdelgayed","A facile, practical and metal-free microwave-assisted protocol for mono- and bis-[1,2,4]triazolo[1,5-a]pyridines synthesis utilizing 1-amino-2-imino-pyridine derivatives as versatile precursors","RSC Advances","2020","10","26","15554","15572","10.1039/D0RA02256J","","","0.71075","MoKα","","","0.0782","","","","0.2332","","","","","","1.004","","","","has coordinates","258033","2020-10-21","18:00:00",""
"7240366","22.8101","0.0009","7.5155","0.0003","24.7196","0.0018","90","","90","","90","","4237.7","0.4","293","","293","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C23 H20 Cl N5 O2 -","- C23 H20 Cl N5 O2 -","- C184 H160 Cl8 N40 O16 -","8","2","","Ibrahim, Hamada Mohamed; Behbehani, Haider; Ahmed Arafa, Wael Abdelgayed","A facile, practical and metal-free microwave-assisted protocol for mono- and bis-[1,2,4]triazolo[1,5-a]pyridines synthesis utilizing 1-amino-2-imino-pyridine derivatives as versatile precursors","RSC Advances","2020","10","26","15554","15572","10.1039/D0RA02256J","","","0.71075","MoKα","","","0.0428","","","","0.1294","","","","","","1.075","","","","has coordinates","258033","2020-10-21","18:00:00",""
"7240369","15.8711","0.0006","8.04111","0.00018","16.4342","0.0005","90","","117.058","0.004","90","","1867.79","0.12","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1'-Homo-N-2'-deoxy-alfa-adenosine","","- C11 H15 N5 O3 -","- C11 H15 N5 O3 -","- C66 H90 N30 O18 -","6","3","","Carnero, Alejandro; Martín-Nieves, Virginia; Sanghvi, Yogesh S.; Russel, Olivia O.; Bassit, Leda; Schinazi, Raymond F.; Fernández, Susana; Ferrero, Miguel","Novel 1′-homo-N-2′-deoxy-α-nucleosides: synthesis, characterization and biological activity","RSC Advances","2020","10","27","15815","15824","10.1039/D0RA03254A","","x-ray","1.54184","CuKα","","0.0485","0.0424","","","0.1102","0.1183","","","","","","1.037","","","","has coordinates","257988","2020-10-21","18:00:00",""
"7240370","8.6989","0.0011","10.7694","0.0015","15.0669","0.0017","90","","99.867","0.012","90","","1390.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 Br2 N2 O3 -","- C11 H12 Br2 N2 O3 -","- C44 H48 Br8 N8 O12 -","4","1","","Popa, Marcel Mirel; Shova, Sergiu; Hrubaru, Madalina; Barbu, Loredana; Draghici, Constantin; Dumitrascu, Florea; Dumitrescu, Denisa E.","Introducing chirality in halogenated 3-arylsydnones and their corresponding 1-arylpyrazoles obtained by 1,3-dipolar cycloaddition","RSC Advances","2020","10","27","15656","15664","10.1039/D0RA02368J","","x-ray","0.71073","MoKα","","0.1174","0.075","","","0.1481","0.1788","","","","","","1.007","","","","has coordinates","257983","2020-10-21","18:00:00",""
"7240371","9.0273","0.0013","9.0598","0.0006","16.3781","0.0016","90","","100.771","0.013","90","","1315.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Br2 N2 O2 -","- C11 H10 Br2 N2 O2 -","- C44 H40 Br8 N8 O8 -","4","1","","Popa, Marcel Mirel; Shova, Sergiu; Hrubaru, Madalina; Barbu, Loredana; Draghici, Constantin; Dumitrascu, Florea; Dumitrescu, Denisa E.","Introducing chirality in halogenated 3-arylsydnones and their corresponding 1-arylpyrazoles obtained by 1,3-dipolar cycloaddition","RSC Advances","2020","10","27","15656","15664","10.1039/D0RA02368J","","x-ray","0.71073","MoKα","","0.0685","0.0385","","","0.0684","0.0786","","","","","","1.043","","","","has coordinates","257983","2020-10-21","18:00:00",""
"7240372","8.1295","0.0006","12.3462","0.0008","16.9591","0.0007","90","","98.285","0.005","90","","1684.39","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Br N2 O4 -","- C16 H17 Br N2 O4 -","- C64 H68 Br4 N8 O16 -","4","1","","Popa, Marcel Mirel; Shova, Sergiu; Hrubaru, Madalina; Barbu, Loredana; Draghici, Constantin; Dumitrascu, Florea; Dumitrescu, Denisa E.","Introducing chirality in halogenated 3-arylsydnones and their corresponding 1-arylpyrazoles obtained by 1,3-dipolar cycloaddition","RSC Advances","2020","10","27","15656","15664","10.1039/D0RA02368J","","x-ray","0.71073","MoKα","","0.0592","0.0387","","","0.0861","0.0955","","","","","","1.058","","","","has coordinates","257983","2020-10-21","18:00:00",""
"7240373","6.1269","0.0007","9.077","0.0012","17.366","0.002","79.554","0.004","84.737","0.004","81.243","0.005","936.7","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H23 N O -","- C24 H23 N O -","- C48 H46 N2 O2 -","2","1","","Krishna Reddy, Singarajanahalli Mundarinti; Suresh, Pavithira; Thamotharan, Subbiah; Nanubolu, Jagadeesh Babu; Suresh, Surisetti; Selva Ganesan, Subramaniapillai","Substrate controlled, regioselective carbopalladation for the one-pot synthesis of C4-substituted tetrahydroisoquinoline analogues","RSC Advances","2020","10","27","15794","15799","10.1039/D0RA01539C","","","0.71073","MoKα","","0.0681","0.0466","","","0.1479","0.1672","","","","","","1.158","","","","has coordinates","257986","2020-10-21","18:00:00",""
"7240381","12.8132","0.0006","14.3594","0.0007","15.7145","0.0007","101.9","0.001","92.764","0.001","115.578","0.001","2520.9","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H48 Ag8 F9 N O6 -","- C38 H48 Ag8 F9 N O6 -","- C76 H96 Ag16 F18 N2 O12 -","2","1","","Shi, Ju-Feng; Chen, Zhi-Jin; Zhang, Liu-Jie; Zhou, Kun; Ji, Jiu-Yu; Bi, Yan-Feng","A one-dimensional infinite silver alkynyl assembly [Ag8(CCtBu)5(CF3COO)3(CH3CN)]n: synthesis, crystal structure and properties","RSC Advances","2020","10","27","16045","16049","10.1039/D0RA01703E","","","0.71073","MoKα","","0.0336","0.0264","","","0.0612","0.0654","","","","","","1.024","","","","has coordinates,has disorder","257985","2020-10-21","18:00:00",""
"7240388","8.876","0.0018","6.933","0.0014","18.664","0.004","90","","93.56","0.03","90","","1146.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Cl8 Cu4 N8 O4 -","- C36 H48 Cl8 Cu4 N8 O4 -","- C36 H48 Cl8 Cu4 N8 O4 -","1","0.25","","Lee, Jaegyeong; Yoon, Minyoung; Lee, Hyosun; Nayab, Saira","Stereoselective polymerization of methyl methacrylate and rac-lactide mediated by iminomethylpyridine based Cu(ii) complexes","RSC Advances","2020","10","27","16209","16220","10.1039/D0RA00805B","","","0.63","synchrotron","","0.0612","0.0577","","","0.1719","0.1742","","","","","","1.139","","","","has coordinates","257984","2020-10-21","18:00:00",""
"7240389","11.3629","0.0019","6.8532","0.0011","19.328","0.003","90","","104.988","0.004","90","","1453.9","0.4","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 Cl2 Cu N3 -","- C13 H19 Cl2 Cu N3 -","- C52 H76 Cl8 Cu4 N12 -","4","1","","Lee, Jaegyeong; Yoon, Minyoung; Lee, Hyosun; Nayab, Saira","Stereoselective polymerization of methyl methacrylate and rac-lactide mediated by iminomethylpyridine based Cu(ii) complexes","RSC Advances","2020","10","27","16209","16220","10.1039/D0RA00805B","","","0.71073","MoKα","","0.1051","0.0431","","","0.083","0.1178","","","","","","1.029","","","","has coordinates","257984","2020-10-21","18:00:00",""
"7240390","19.134","0.004","8.72","0.0017","7.476","0.0015","90","","93.41","0.03","90","","1245.2","0.4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 Cl2 Cu N2 O -","- C10 H14 Cl2 Cu N2 O -","- C40 H56 Cl8 Cu4 N8 O4 -","4","1","","Lee, Jaegyeong; Yoon, Minyoung; Lee, Hyosun; Nayab, Saira","Stereoselective polymerization of methyl methacrylate and rac-lactide mediated by iminomethylpyridine based Cu(ii) complexes","RSC Advances","2020","10","27","16209","16220","10.1039/D0RA00805B","","","0.61","synchrotron","","0.0449","0.0418","","","0.1191","0.1215","","","","","","1.101","","","","has coordinates","257984","2020-10-21","18:00:00",""
"7240391","7.255","0.0015","8.96","0.0018","11.553","0.002","96.81","0.03","102.83","0.03","113.02","0.03","656","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H17 Cl2 Cu N3 -","- C11 H17 Cl2 Cu N3 -","- C22 H34 Cl4 Cu2 N6 -","2","1","","Lee, Jaegyeong; Yoon, Minyoung; Lee, Hyosun; Nayab, Saira","Stereoselective polymerization of methyl methacrylate and rac-lactide mediated by iminomethylpyridine based Cu(ii) complexes","RSC Advances","2020","10","27","16209","16220","10.1039/D0RA00805B","","","0.61","synchrotron","","0.0676","0.0519","","","0.1399","0.1532","","","","","","1.086","","","","has coordinates","257984","2020-10-21","18:00:00",""
"7240392","19.99","0.004","16.865","0.003","18.965","0.003","90","","90.338","0.01","90","","6394","2","140","","140","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Ni(phpyNO)2(NCS)2]","","- C32 H34 N6 Ni O2 S2 -","- C32 H34 N6 Ni O2 S2 -","- C256 H272 N48 Ni8 O16 S16 -","8","2","","Kyoden, Yukiya; Ishida, Takayuki","An indication of spin-transition accompanied by an order-disorder structural transformation in [Ni(phpyNO)2(NCS)2] (phpyNO = tert-butyl 5-phenyl-2-pyridyl nitroxide)","RSC Advances","2020","10","27","16009","16015","10.1039/D0RA02041A","","","0.71073","MoKα","","0.2057","0.0997","","","0.1914","0.2298","","","","","","1.015","","","","has coordinates","257987","2020-10-21","18:00:00",""
"7240393","17.0732","0.0019","19.194","0.003","20.667","0.003","90","","90","","90","","6772.6","1.6","400","","400","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Ni(phpyNO)2(NCS)2]","","- C32 H34 N6 Ni O2 S2 -","- C32 H34 N6 Ni O2 S2 -","- C256 H272 N48 Ni8 O16 S16 -","8","1","","Kyoden, Yukiya; Ishida, Takayuki","An indication of spin-transition accompanied by an order-disorder structural transformation in [Ni(phpyNO)2(NCS)2] (phpyNO = tert-butyl 5-phenyl-2-pyridyl nitroxide)","RSC Advances","2020","10","27","16009","16015","10.1039/D0RA02041A","","","0.71073","MoKα","","0.1954","0.0698","","","0.1227","0.1563","","","","","","1.015","","","","has coordinates,has disorder","257987","2020-10-21","18:00:00",""
"7240394","6.816","0.0014","25.702","0.005","12.914","0.003","90","","92.384","0.004","90","","2260.4","0.8","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H27 B9 N2 O3.5 Ru -","- C15 H23 B9 N2 O3 Ru -","- C60 H92 B36 N8 O12 Ru4 -","4","1","","Teixeira, Ricardo G.; Marques, Fernanda; Robalo, M. Paula; Fontrodona, Xavier; Garcia, M. Helena; Geninatti Crich, Simonetta; Viñas, Clara; Valente, Andreia","Ruthenium carboranyl complexes with 2,2′-bipyridine derivatives for potential bimodal therapy application","RSC Advances","2020","10","28","16266","16276","10.1039/D0RA01522A","","","0.71073","MoKα","","0.0382","0.0332","","","0.0818","0.0846","","","","","","1.088","","","","has coordinates,has disorder","257960","2020-10-21","18:00:00",""
"7240395","12.589","0.002","11.463","0.002","14.575","0.002","90","","111.301","0.002","90","","1959.6","0.5","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H23 B9 N2 O Ru -","- C15 H23 B9 N2 O Ru -","- C60 H92 B36 N8 O4 Ru4 -","4","1","","Teixeira, Ricardo G.; Marques, Fernanda; Robalo, M. Paula; Fontrodona, Xavier; Garcia, M. Helena; Geninatti Crich, Simonetta; Viñas, Clara; Valente, Andreia","Ruthenium carboranyl complexes with 2,2′-bipyridine derivatives for potential bimodal therapy application","RSC Advances","2020","10","28","16266","16276","10.1039/D0RA01522A","","","0.71073","MoKα","","0.0389","0.0308","","","0.0745","0.0802","","","","","","1.031","","","","has coordinates","257960","2020-10-21","18:00:00",""
"7240398","9.8013","0.0012","10.0715","0.0012","11.7314","0.0014","91.3034","0.0015","91.6389","0.0014","111.561","0.0014","1075.9","0.2","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","5-chloro-2-iodo-1,3-bis{[4-trifluoromethyl)phenyl]ethynyl}benzene","","- C24 H10 Cl F6 I -","- C24 H10 Cl F6 I -","- C48 H20 Cl2 F12 I2 -","2","1","","Al-Zoubi, Raed M.; Al-Omari, Mothana K.; Al-Jammal, Walid K.; Ferguson, Michael J.","Palladium-catalyzed highly regioselective mono and double Sonogashira cross-coupling reactions of 5-substituted-1,2,3-triiodobenzene under ambient conditions","RSC Advances","2020","10","28","16366","16376","10.1039/D0RA01569E","","","0.71073","MoKα","","0.0441","0.0356","","","0.0967","0.1027","","","","","","1.05","","","","has coordinates","257961","2020-10-21","18:00:00",""
"7240399","12.1687","0.0008","4.3193","0.0003","27.7962","0.0017","90","","90.1567","0.0009","90","","1460.97","0.17","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-diiodo-3-{[4-(trifluoromethyl)phenyl]ethynyl}benzene","","- C15 H7 F3 I2 -","- C15 H7 F3 I2 -","- C60 H28 F12 I8 -","4","1","","Al-Zoubi, Raed M.; Al-Omari, Mothana K.; Al-Jammal, Walid K.; Ferguson, Michael J.","Palladium-catalyzed highly regioselective mono and double Sonogashira cross-coupling reactions of 5-substituted-1,2,3-triiodobenzene under ambient conditions","RSC Advances","2020","10","28","16366","16376","10.1039/D0RA01569E","","","0.71073","MoKα","","0.0281","0.025","","","0.0563","0.0575","","","","","","1.161","","","","has coordinates,has disorder","257961","2020-10-21","18:00:00",""
"7240400","8.4281","0.0005","9.5746","0.0005","11.4227","0.0006","72.6614","0.0008","71.6046","0.0007","64.6041","0.0007","775.78","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-chloro-1,2-diiodo-3-{[4-(trifluoromethyl)phenyl]ethynyl}benzene","","- C15 H6 Cl F3 I2 -","- C15 H6 Cl F3 I2 -","- C30 H12 Cl2 F6 I4 -","2","1","","Al-Zoubi, Raed M.; Al-Omari, Mothana K.; Al-Jammal, Walid K.; Ferguson, Michael J.","Palladium-catalyzed highly regioselective mono and double Sonogashira cross-coupling reactions of 5-substituted-1,2,3-triiodobenzene under ambient conditions","RSC Advances","2020","10","28","16366","16376","10.1039/D0RA01569E","","","0.71073","MoKα","","0.0207","0.018","","","0.0414","0.0426","","","","","","1.021","","","","has coordinates,has disorder","257961","2020-10-21","18:00:00",""
"7240401","4.1529","0.00008","11.4859","0.0002","30.5943","0.0006","90","","90","","90","","1459.34","0.05","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5-fluoro-1,2-diiodo-3-[(4-methoxyphenyl)ethynyl]benzene","","- C15 H9 F I2 O -","- C15 H9 F I2 O -","- C60 H36 F4 I8 O4 -","4","1","","Al-Zoubi, Raed M.; Al-Omari, Mothana K.; Al-Jammal, Walid K.; Ferguson, Michael J.","Palladium-catalyzed highly regioselective mono and double Sonogashira cross-coupling reactions of 5-substituted-1,2,3-triiodobenzene under ambient conditions","RSC Advances","2020","10","28","16366","16376","10.1039/D0RA01569E","","","1.54178","CuKα","","0.015","0.0149","","","0.0379","0.038","","","","","","1.112","","","","has coordinates","257961","2020-10-21","18:00:00",""
"7240402","7.53409","0.00009","7.53409","0.00009","42.4001","0.0005","90","","90","","90","","2406.74","0.05","294","2","294","2","","","","","","","","6","P 43","P 4cw","78","","","","- C24 H28 Cl N3 O3 S -","- C24 H28 Cl N3 O3 S -","- C96 H112 Cl4 N12 O12 S4 -","4","1","","Bhandari, Sonal; Sana, Sravani; Lahoti, Vandana; Tokala, Ramya; Shankaraiah, Nagula","Ring-opening cyclization of activated spiro-aziridine oxindoles with heteroarenes: a facile synthetic approach to spiro-oxindole-fused pyrroloindolines","RSC Advances","2020","10","27","16101","16109","10.1039/D0RA00684J","","","0.71073","MoKα","","0.113","0.0689","","","0.1226","0.1363","","","","","","1.086","","","","has coordinates","257989","2020-10-21","18:00:00",""
"7240424","15.3768","0.0015","4.5578","0.0005","19.4729","0.0019","90","","99.697","0.005","90","","1345.2","0.2","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2-(benzyloxy)-3-ethoxybenzaldehyde","3-ethoxy-2-(phenylmethoxy)benzaldehyde","","- C16 H16 O3 -","- C16 H16 O3 -","- C64 H64 O12 -","4","1","","Hulushe, Siya T.; Manyeruke, Meloddy H.; Louzada, Marcel; Rigin, Sergei; Hosten, Eric C.; Watkins, Gareth M.","Exploring intermolecular contacts in multi-substituted benzaldehyde derivatives: X-ray, Hirshfeld surface and lattice energy analyses","RSC Advances","2020","10","29","16861","16874","10.1039/C9RA10752E","","","0.71073","MoKα","","0.1308","0.0625","","","0.1444","0.1769","","","","","","1.023","","","","has coordinates","257956","2020-10-21","18:00:00",""
"7240425","7.316","0.004","13.239","0.01","12.3","0.008","90","","100.36","0.03","90","","1171.9","1.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-(benzyloxy)-5-bromobenzaldehyde","5-bromo-2-(phenylmethoxy)benzaldehyde","","- C14 H11 Br O2 -","- C14 H11 Br O2 -","- C56 H44 Br4 O8 -","4","1","","Hulushe, Siya T.; Manyeruke, Meloddy H.; Louzada, Marcel; Rigin, Sergei; Hosten, Eric C.; Watkins, Gareth M.","Exploring intermolecular contacts in multi-substituted benzaldehyde derivatives: X-ray, Hirshfeld surface and lattice energy analyses","RSC Advances","2020","10","29","16861","16874","10.1039/C9RA10752E","","","0.71073","MoKα","","0.0387","0.0263","","","0.0576","0.0618","","","","","","1.047","","","","has coordinates","257956","2020-10-21","18:00:00",""
"7240426","4.9219","0.0002","16.3089","0.0006","14.7245","0.0005","90","","99.171","0.002","90","","1166.84","0.08","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-(benzyloxy)-5-chlorobenzaldehyde","5-chloro-2-(phenylmethoxy)benzaldehyde","","- C14 H11 Cl O2 -","- C14 H11 Cl O2 -","- C56 H44 Cl4 O8 -","4","1","","Hulushe, Siya T.; Manyeruke, Meloddy H.; Louzada, Marcel; Rigin, Sergei; Hosten, Eric C.; Watkins, Gareth M.","Exploring intermolecular contacts in multi-substituted benzaldehyde derivatives: X-ray, Hirshfeld surface and lattice energy analyses","RSC Advances","2020","10","29","16861","16874","10.1039/C9RA10752E","","","0.71073","MoKα","","0.0457","0.0337","","","0.0824","0.088","","","","","","1.046","","","","has coordinates","257956","2020-10-21","18:00:00",""
"7240427","11.5088","0.0005","12.9889","0.0006","7.2608","0.0004","90","","90","","90","","1085.39","0.09","200","2","200","2","","","","","","","","3","P n a 21","P 2c -2n","33","4-(benzyloxy)benzaldehyde","4-(phenylmethoxybenzaldehyde","","- C14 H12 O2 -","- C14 H12 O2 -","- C56 H48 O8 -","4","1","","Hulushe, Siya T.; Manyeruke, Meloddy H.; Louzada, Marcel; Rigin, Sergei; Hosten, Eric C.; Watkins, Gareth M.","Exploring intermolecular contacts in multi-substituted benzaldehyde derivatives: X-ray, Hirshfeld surface and lattice energy analyses","RSC Advances","2020","10","29","16861","16874","10.1039/C9RA10752E","","","0.71073","MoKα","","0.0315","0.0295","","","0.08","0.0822","","","","","","1.047","","","","has coordinates","257956","2020-10-21","18:00:00",""
"7240428","7.711","0.0004","7.9405","0.0004","9.1857","0.0005","65.896","0.002","85.99","0.002","70.155","0.002","481.36","0.04","200","2","200","2","","","","","","","","3","P -1","-P 1","2","3-methoxy-2-(prop-2-ynyloxy)benzaldehyde","3-methoxy-2-(prop-2-ynoxy)benzaldehyde","","- C11 H10 O3 -","- C11 H10 O3 -","- C22 H20 O6 -","2","1","","Hulushe, Siya T.; Manyeruke, Meloddy H.; Louzada, Marcel; Rigin, Sergei; Hosten, Eric C.; Watkins, Gareth M.","Exploring intermolecular contacts in multi-substituted benzaldehyde derivatives: X-ray, Hirshfeld surface and lattice energy analyses","RSC Advances","2020","10","29","16861","16874","10.1039/C9RA10752E","","","0.71073","MoKα","","0.0456","0.0366","","","0.0951","0.1024","","","","","","1.045","","","","has coordinates","257956","2020-10-21","18:00:00",""
"7240429","4.0992","0.0002","17.1619","0.0007","18.9382","0.0008","90","","90","","90","","1332.3","0.1","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-(benzyloxy)-3,5-dibromobenzaldehyde","3,5-dibromo-2-(phenylmethoxy)benzaldehyde","","- C14 H10 Br2 O2 -","- C14 H10 Br2 O2 -","- C56 H40 Br8 O8 -","4","1","","Hulushe, Siya T.; Manyeruke, Meloddy H.; Louzada, Marcel; Rigin, Sergei; Hosten, Eric C.; Watkins, Gareth M.","Exploring intermolecular contacts in multi-substituted benzaldehyde derivatives: X-ray, Hirshfeld surface and lattice energy analyses","RSC Advances","2020","10","29","16861","16874","10.1039/C9RA10752E","","","0.71073","MoKα","","0.0276","0.0218","","","0.0458","0.0472","","","","","","1.042","","","","has coordinates","257956","2020-10-21","18:00:00",""
"7240436","16.9444","0.0013","9.1089","0.0007","17.4069","0.0014","90","","114.184","0.0017","90","","2450.9","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","dicarbonyl(4-pyridylethynyl)(η^5^-cyclopentadienyl)iron","","- C14 H9 Fe N O2 -","- C14 H9 Fe N O2 -","- C112 H72 Fe8 N8 O16 -","8","1","","Verpekin, Victor V.; Semeikin, Oleg V.; Vasiliev, Alexander D.; Kondrasenko, Alexander A.; Belousov, Yuri A.; Ustynyuk, Nikolai A.","Catalyzed M‒C coupling reactions in the synthesis of σ-(pyridylethynyl)dicarbonylcyclopentadienyliron complexes","RSC Advances","2020","10","29","17014","17025","10.1039/D0RA02333G","","","0.71073","MoKα","","0.0709","0.0523","","","0.1134","0.1221","","","","","","1.083","","","","has coordinates","257957","2020-10-21","18:00:00",""
"7240437","9.4258","0.0005","9.5785","0.0005","13.833","0.0007","90","","109.534","0.001","90","","1177.03","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","dicarbonyl(3-pyridylethynyl)(η^5^-cyclopentadienyl)iron","","- C14 H9 Fe N O2 -","- C14 H9 Fe N O2 -","- C56 H36 Fe4 N4 O8 -","4","1","","Verpekin, Victor V.; Semeikin, Oleg V.; Vasiliev, Alexander D.; Kondrasenko, Alexander A.; Belousov, Yuri A.; Ustynyuk, Nikolai A.","Catalyzed M‒C coupling reactions in the synthesis of σ-(pyridylethynyl)dicarbonylcyclopentadienyliron complexes","RSC Advances","2020","10","29","17014","17025","10.1039/D0RA02333G","","","0.71073","MoKα","","0.0612","0.0395","","","0.0798","0.0895","","","","","","1.046","","","","has coordinates","257957","2020-10-21","18:00:00",""
"7240438","9.4756","0.0002","9.7388","0.0002","13.6391","0.0003","90","","108.834","0.001","90","","1191.24","0.04","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","dicarbonyl(2-pyridylethynyl)(η^5^-cyclopentadienyl)iron","","- C14 H9 Fe N O2 -","- C14 H9 Fe N O2 -","- C56 H36 Fe4 N4 O8 -","4","1","","Verpekin, Victor V.; Semeikin, Oleg V.; Vasiliev, Alexander D.; Kondrasenko, Alexander A.; Belousov, Yuri A.; Ustynyuk, Nikolai A.","Catalyzed M‒C coupling reactions in the synthesis of σ-(pyridylethynyl)dicarbonylcyclopentadienyliron complexes","RSC Advances","2020","10","29","17014","17025","10.1039/D0RA02333G","","","0.71073","MoKα","","0.044","0.031","","","0.0751","0.0821","","","","","","1.049","","","","has coordinates","257957","2020-10-21","18:00:00",""
"7240439","6.4302","0.0005","11.8451","0.001","17.9823","0.0015","90","","93.765","0.002","90","","1366.69","0.19","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 Fe N2 O2 S -","- C15 H8 Fe N2 O2 S -","- C60 H32 Fe4 N8 O8 S4 -","4","1","","Verpekin, Victor V.; Semeikin, Oleg V.; Vasiliev, Alexander D.; Kondrasenko, Alexander A.; Belousov, Yuri A.; Ustynyuk, Nikolai A.","Catalyzed M‒C coupling reactions in the synthesis of σ-(pyridylethynyl)dicarbonylcyclopentadienyliron complexes","RSC Advances","2020","10","29","17014","17025","10.1039/D0RA02333G","","","0.71073","MoKα","","0.0738","0.0496","","","0.0996","0.1087","","","","","","1.076","","","","has coordinates","257957","2020-10-21","18:00:00",""
"7240440","9.14","0.0009","12.8784","0.0012","19.5628","0.0019","90","","95.859","0.011","90","","2290.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 Mn N2 O6 -","- C23 H27 Mn N2 O6 -","- C92 H108 Mn4 N8 O24 -","4","1","","Rayati, Saeed; Khodaei, Elham; Nafarieh, Parinaz; Jafarian, Majid; Elmi, Bahareh; Wojtczak, Andrzej","A manganese(iii) Schiff base complex immobilized on silica-coated magnetic nanoparticles showing enhanced electrochemical catalytic performance toward sulfide and alkene oxidation","RSC Advances","2020","10","29","17026","17036","10.1039/D0RA02728F","","","0.71073","MoKα","","0.0591","0.0418","","","0.0949","0.102","","","","","","1.055","","","","has coordinates","257959","2020-10-21","18:00:00",""
"7240441","20.2031","0.0008","20.2031","0.0008","13.2367","0.0007","90","","90","","90","","5402.8","0.4","293","2","293.15","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C36 H30 N2 -","- C36 H30 N2 -","- C288 H240 N16 -","8","0.5","","Zhang, Hua; Zhan, Xiao-Yu; Dong, Yu; Yang, Jian; He, Shuai; Shi, Zhi-Chuan; Zhang, Xiao-Mei; Wang, Ji-Yu","Dehydration in water: frustrated Lewis pairs directly catalyzed allylization of electron-rich arenes and allyl alcohols","RSC Advances","2020","10","29","16942","16948","10.1039/D0RA02912B","","x-ray","0.71073","MoKα","","0.1507","0.0756","","","0.2006","0.2523","","","","","","1.069","","","","has coordinates","257958","2020-10-21","18:00:00",""
"7240442","13.7508","0.0009","5.6719","0.0004","26.3268","0.0015","90","","97.603","0.005","90","","2035.3","0.2","293","2","293.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 N3 -","- C27 H21 N3 -","- C108 H84 N12 -","4","1","","Zhang, Hua; Zhan, Xiao-Yu; Dong, Yu; Yang, Jian; He, Shuai; Shi, Zhi-Chuan; Zhang, Xiao-Mei; Wang, Ji-Yu","Dehydration in water: frustrated Lewis pairs directly catalyzed allylization of electron-rich arenes and allyl alcohols","RSC Advances","2020","10","29","16942","16948","10.1039/D0RA02912B","","x-ray","0.71073","MoKα","","0.0781","0.0514","","","0.1046","0.1173","","","","","","1.018","","","","has coordinates","257958","2020-10-21","18:00:00",""
"7240454","11.9592","0.0003","12.7479","0.0002","31.1058","0.0006","90","","108.827","0.001","90","","4488.5","0.16","333","","333","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H56 Bi2 Cl10 N4 -","- C24 H56 Bi2 Cl10 N4 -","- C96 H224 Bi8 Cl40 N16 -","4","1","","Wang, Yuyin; Han, Shiguo; Liu, Xitao; Wu, Zhenyue; Sun, Zhihua; Dey, Dhananjay; Li, Yaobin; Luo, Junhua","Exploring a lead-free organic‒inorganic semiconducting hybrid with above-room-temperature dielectric phase transition","RSC Advances","2020","10","30","17492","17496","10.1039/C9RA09289G","","x-ray","0.71073","MoKα","","0.0781","0.04","","","0.0849","0.1006","","","","","","1.038","","","","has coordinates,has disorder","258099","2020-10-21","18:00:00",""
"7240455","11.9718","0.0004","12.4092","0.0004","15.839","0.0006","76.474","0.001","69.245","0.001","89.323","0.001","2132.77","0.13","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H56 Bi2 Cl10 N4 -","- C24 H56 Bi2 Cl10 N4 -","- C48 H112 Bi4 Cl20 N8 -","2","1","","Wang, Yuyin; Han, Shiguo; Liu, Xitao; Wu, Zhenyue; Sun, Zhihua; Dey, Dhananjay; Li, Yaobin; Luo, Junhua","Exploring a lead-free organic‒inorganic semiconducting hybrid with above-room-temperature dielectric phase transition","RSC Advances","2020","10","30","17492","17496","10.1039/C9RA09289G","","","0.71073","MoKα","","0.0671","0.052","","","0.1444","0.1556","","","","","","1.047","","","","has coordinates","258099","2020-10-21","18:00:00",""
"7240478","7.3164","0.001","23.412","0.003","12.3254","0.0017","90","","94.77","0.002","90","","2103.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Co N2 O4 -","- C18 H12 Co N2 O4 -","- C72 H48 Co4 N8 O16 -","4","1","","Alotaibi, Nusaybah; Hammud, Hassan H.; Karnati, Ranjith Kumar; Hussain, Syed Ghazanfar; Mazher, Javed; Prakasam, Thirumurugan","Cobalt‒carbon/silica nanocomposites prepared by pyrolysis of a cobalt 2,2′-bipyridine terephthalate complex for remediation of cationic dyes","RSC Advances","2020","10","30","17660","17672","10.1039/D0RA02752A","","","0.71073","MoKα","","0.0543","0.0407","","","0.0945","0.0982","","","","","","1.046","","","","has coordinates","258098","2020-10-21","18:00:00",""
"7240487","7.8939","0.0016","8.9985","0.0018","14.466","0.003","85.32","0.03","81.63","0.03","72.73","0.03","970","0.4","113","2","113.15","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H16 Cl N6 O5 S -","- C17 H19 Cl N6 O5 S -","- C34 H38 Cl2 N12 O10 S2 -","2","1","","Meng, Fan-Fei; Wu, Lei; Gu, Yu-Cheng; Zhou, Sha; Li, Yong-Hong; Chen, Ming-Gui; Zhou, Shaa; Zhao, Yang-Yang; Ma, Yi; Li, Zheng-Ming","Research on the controllable degradation of N-methylamido and dialkylamino substituted at the 5th position of the benzene ring in chlorsulfuron in acidic soil","RSC Advances","2020","10","30","17870","17880","10.1039/D0RA00811G","","","0.71073","MoKα","","0.0676","0.057","","","0.1506","0.1597","","","","","","1.058","","","","has coordinates","258097","2020-10-21","18:00:00",""
"7240488","10.2847","0.0005","17.1412","0.0007","11.241","0.0005","90","","102.533","0.005","90","","1934.48","0.15","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 Cl N6 O4 S -","- C16 H19 Cl N6 O4 S -","- C64 H76 Cl4 N24 O16 S4 -","4","1","","Meng, Fan-Fei; Wu, Lei; Gu, Yu-Cheng; Zhou, Sha; Li, Yong-Hong; Chen, Ming-Gui; Zhou, Shaa; Zhao, Yang-Yang; Ma, Yi; Li, Zheng-Ming","Research on the controllable degradation of N-methylamido and dialkylamino substituted at the 5th position of the benzene ring in chlorsulfuron in acidic soil","RSC Advances","2020","10","30","17870","17880","10.1039/D0RA00811G","","","0.71073","MoKα","","0.0589","0.0496","","","0.1274","0.1345","","","","","","1.04","","","","has coordinates","258097","2020-10-21","18:00:00",""
"7240513","8.6479","0.0004","11.7181","0.0006","12.4402","0.0007","114.461","0.002","90.355","0.003","96.581","0.003","1137.93","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H26 O5 S -","- C26 H26 O5 S -","- C52 H52 O10 S2 -","2","1","","Chang, Meng-Yang; Lai, Kai-Xiang; Chang, Yu-Lun","In(OTf)3-catalyzed intramolecular hydroarylation of α-phenylallyl β-ketosulfones ‒ synthesis of sulfonyl 1-benzosuberones and 1-tetralones","RSC Advances","2020","10","31","18231","18244","10.1039/D0RA01962C","","","0.71073","MoKα","","0.0662","0.0434","","","0.102","0.1136","","","","","","1.039","","","","has coordinates","258102","2020-10-21","18:00:00",""
"7240514","17.4857","0.0009","9.6877","0.0005","17.1467","0.0009","90","","118.713","0.003","90","","2547.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 O5 S -","- C26 H26 O5 S -","- C104 H104 O20 S4 -","4","1","","Chang, Meng-Yang; Lai, Kai-Xiang; Chang, Yu-Lun","In(OTf)3-catalyzed intramolecular hydroarylation of α-phenylallyl β-ketosulfones ‒ synthesis of sulfonyl 1-benzosuberones and 1-tetralones","RSC Advances","2020","10","31","18231","18244","10.1039/D0RA01962C","","","0.71073","MoKα","","0.0524","0.0395","","","0.0935","0.1009","","","","","","1.032","","","","has coordinates","258102","2020-10-21","18:00:00",""
"7240515","12.283","0.0019","19.038","0.004","9.2274","0.0014","90","","107.381","0.009","90","","2059.2","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 O5 S -","- C25 H24 O5 S -","- C100 H96 O20 S4 -","4","1","","Chang, Meng-Yang; Lai, Kai-Xiang; Chang, Yu-Lun","In(OTf)3-catalyzed intramolecular hydroarylation of α-phenylallyl β-ketosulfones ‒ synthesis of sulfonyl 1-benzosuberones and 1-tetralones","RSC Advances","2020","10","31","18231","18244","10.1039/D0RA01962C","","","0.71073","MoKα","","0.0745","0.0471","","","0.1017","0.1146","","","","","","1.034","","","","has coordinates","258102","2020-10-21","18:00:00",""
"7240516","15.699","0.004","7.434","0.002","24.908","0.008","90","","98.529","0.016","90","","2874.8","1.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 O4 S -","- C36 H34 O4 S -","- C144 H136 O16 S4 -","4","1","","Chang, Meng-Yang; Lai, Kai-Xiang; Chang, Yu-Lun","In(OTf)3-catalyzed intramolecular hydroarylation of α-phenylallyl β-ketosulfones ‒ synthesis of sulfonyl 1-benzosuberones and 1-tetralones","RSC Advances","2020","10","31","18231","18244","10.1039/D0RA01962C","","","0.71073","MoKα","","0.1166","0.0641","","","0.1662","0.1989","","","","","","1.047","","","","has coordinates","258102","2020-10-21","18:00:00",""
"7240517","11.8913","0.0006","7.6503","0.0003","16.1369","0.0008","90","","91.748","0.004","90","","1467.32","0.12","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 N4 O4 Zn -","- C30 H34 N4 O4 Zn -","- C60 H68 N8 O8 Zn2 -","2","0.5","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","0.71073","MoKα","","0.0346","0.0304","","","0.0832","0.0852","","","","","","1.113","","","","has coordinates","258103","2020-10-21","18:00:00",""
"7240518","10.2457","0.0004","35.0251","0.0013","14.6211","0.0005","90","","109.855","0.004","90","","4935","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H57 N7 O8 Zn2 -","- C55 H57 N7 O8 Zn2 -","- C220 H228 N28 O32 Zn8 -","4","1","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","0.71073","MoKα","","0.0736","0.0427","","","0.0814","0.0909","","","","","","0.998","","","","has coordinates","258103","2020-10-21","18:00:00",""
"7240519","7.6353","0.0002","15.1456","0.0004","15.5015","0.0004","110.85","0.003","101.862","0.002","101.479","0.002","1565.17","0.09","125","0.1","125","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C29 H29 N5 O4 Zn -","- C29 H29 N5 O4 Zn -","- C58 H58 N10 O8 Zn2 -","2","1","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","0.71073","MoKα","","0.036","0.0321","","","0.0862","0.0883","","","","","","1.089","","","","has coordinates","258103","2020-10-21","18:00:00",""
"7240520","10.2398","0.0001","20.2129","0.0002","16.0208","0.0001","90","","97.638","0.001","90","","3286.5","0.05","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 Cl6 N4 O4 Zn -","- C29 H28 Cl6 N4 O4 Zn -","- C116 H112 Cl24 N16 O16 Zn4 -","4","1","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","1.54184","CuKα","","0.0366","0.0315","","","0.081","0.0859","","","","","","1.039","","","","has coordinates,has disorder","258103","2020-10-21","18:00:00",""
"7240521","9.5111","0.0002","12.6993","0.0003","13.6361","0.0003","88.709","0.002","88.368","0.002","82.441","0.002","1631.76","0.06","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C37 H33 N5 O6 Zn -","- C37 H33 N5 O6 Zn -","- C74 H66 N10 O12 Zn2 -","2","1","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","1.54184","CuKα","","0.0334","0.0325","","","0.088","0.089","","","","","","1.027","","","","has coordinates","258103","2020-10-21","18:00:00",""
"7240522","13.2473","0.0007","14.3337","0.0009","17.9869","0.0012","90","","91.334","0.005","90","","3414.5","0.4","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H31 N5 O6 Zn -","- C36 H31 N5 O6 Zn -","- C144 H124 N20 O24 Zn4 -","4","1","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","0.71073","MoKα","","0.1121","0.0545","","","0.1085","0.1331","","","","","","0.991","","","","has coordinates","258103","2020-10-21","18:00:00",""
"7240523","14.337","0.0004","8.5075","0.0002","25.4808","0.0008","90","","102.665","0.003","90","","3032.32","0.15","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H35 N5 O7 Zn -","- C31 H35 N5 O7 Zn -","- C124 H140 N20 O28 Zn4 -","4","1","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","0.71073","MoKα","","0.0403","0.0314","","","0.0778","0.0828","","","","","","1.049","","","","has coordinates","258103","2020-10-21","18:00:00",""
"7240524","13.1291","0.0002","13.1804","0.0002","19.8037","0.0003","90","","93.126","0.001","90","","3421.87","0.09","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H33 N5 O6 Zn -","- C37 H33 N5 O6 Zn -","- C148 H132 N20 O24 Zn4 -","4","1","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","1.54184","CuKα","","0.0441","0.0351","","","0.0915","0.0981","","","","","","1.024","","","","has coordinates","258103","2020-10-21","18:00:00",""
"7240525","10.1666","0.0006","17.0493","0.0012","18.2066","0.0009","90","","101.886","0.005","90","","3088.1","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H31 N5 O6 Zn -","- C36 H31 N5 O6 Zn -","- C144 H124 N20 O24 Zn4 -","4","1","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","0.71073","MoKα","","0.0983","0.0648","","","0.1459","0.1616","","","","","","1.075","","","","has coordinates","258103","2020-10-21","18:00:00",""
"7240526","13.0755","0.0004","12.9618","0.0005","20.0571","0.0007","90","","93.157","0.003","90","","3394.2","0.2","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H31 N5 O7 Zn -","- C36 H31 N5 O7 Zn -","- C144 H124 N20 O28 Zn4 -","4","1","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","0.71073","MoKα","","0.0608","0.0397","","","0.0902","0.1033","","","","","","1.024","","","","has coordinates","258103","2020-10-21","18:00:00",""
"7240527","9.5603","0.0006","6.7219","0.0008","17.1475","0.0012","90","","91.675","0.007","90","","1101.49","0.17","150","0.1","150","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C24 H22 Cl N3 O4 Zn -","- C24 H22 Cl N3 O4 Zn -","- C48 H44 Cl2 N6 O8 Zn2 -","2","0.5","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","0.71073","MoKα","","0.0436","0.035","","","0.0819","0.0867","","","","","","1.033","","","","has coordinates","258103","2020-10-21","18:00:00",""
"7240528","10.6517","0.0005","17.8533","0.0008","13.5909","0.0005","90","","91.999","0.004","90","","2582.98","0.19","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 N4 O6 Zn -","- C28 H30 N4 O6 Zn -","- C112 H120 N16 O24 Zn4 -","4","1","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","0.71073","MoKα","","0.0511","0.0344","","","0.0789","0.0888","","","","","","1.033","","","","has coordinates","258103","2020-10-21","18:00:00",""
"7240529","7.9798","0.0002","12.1068","0.0003","15.2595","0.0004","81.018","0.002","78.984","0.002","86.388","0.002","1428.47","0.06","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C31 H34 N6 O4.5 Zn -","- C31 H34 N6 O4.5 Zn -","- C62 H68 N12 O9 Zn2 -","2","1","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","0.71073","MoKα","","0.0399","0.0374","","","0.0863","0.0874","","","","","","1.217","","","","has coordinates,has disorder","258103","2020-10-21","18:00:00",""
"7240530","8.8023","0.0003","12.7903","0.0006","15.298","0.0006","79.309","0.004","84.72","0.003","70.296","0.004","1592.51","0.12","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H31 N5 O6 Zn -","- C36 H31 N5 O6 Zn -","- C72 H62 N10 O12 Zn2 -","2","1","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","0.71073","MoKα","","0.0654","0.0437","","","0.098","0.1089","","","","","","1.022","","","","has coordinates","258103","2020-10-21","18:00:00",""
"7240531","9.3854","0.0009","12.6764","0.0012","13.5914","0.0012","93.234","0.008","90.556","0.008","99.664","0.009","1591.2","0.3","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H31 N5 O6 Zn -","- C36 H31 N5 O6 Zn -","- C72 H62 N10 O12 Zn2 -","2","1","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","0.71073","MoKα","","0.3218","0.1638","","","0.3471","0.464","","","","","","0.967","","","","has coordinates","258103","2020-10-21","18:00:00",""
"7240532","7.9088","0.0002","12.5987","0.0004","14.7809","0.0005","114.123","0.003","99.089","0.002","93.237","0.002","1315.26","0.08","125","0.1","125","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H26 Cl2 N4 O4 Zn -","- C27 H26 Cl2 N4 O4 Zn -","- C54 H52 Cl4 N8 O8 Zn2 -","2","1","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","0.71073","MoKα","","0.0451","0.0382","","","0.0984","0.103","","","","","","1.032","","","","has coordinates,has disorder","258103","2020-10-21","18:00:00",""
"7240533","10.2026","0.0003","20.3546","0.0005","15.8428","0.0005","90","","97.78","0.002","90","","3259.79","0.16","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Cl6 N4 O4 Zn -","- C28 H26 Cl6 N4 O4 Zn -","- C112 H104 Cl24 N16 O16 Zn4 -","4","1","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","0.71073","MoKα","","0.055","0.043","","","0.1003","0.1082","","","","","","1.027","","","","has coordinates,has disorder","258103","2020-10-21","18:00:00",""
"7240542","20.6798","0.0002","11.2177","0.0001","12.5805","0.0001","90","","102.832","0.001","90","","2845.54","0.05","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(E)-2-(4-ethylphenyl)-2-(3-oxoindolin-2-ylidene)acetonitrile","","- C18 H14 N2 O -","- C18 H14 N2 O -","- C144 H112 N16 O8 -","8","1","","Aksenov, Nicolai A.; Aksenov, Dmitrii A.; Arutiunov, Nikolai A.; Aksenova, Daria S.; Aksenov, Alexander V.; Rubin, Michael","Unexpected cyclization of ortho-nitrochalcones into 2-alkylideneindolin-3-ones","RSC Advances","2020","10","31","18440","18450","10.1039/D0RA03520C","","x-ray","1.54184","CuKα","","0.0408","0.039","","","0.1083","0.1106","","","","","","1.045","","","","has coordinates","258104","2020-10-21","18:00:00",""
"7240543","21.767","0.003","4.8042","0.0008","42.042","0.007","90","","103.866","0.007","90","","4268.3","1.2","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 N3 O2 S -","- C27 H19 N3 O2 S -","- C216 H152 N24 O16 S8 -","8","2","","Li, Shengling; Cao, Duanlin; Ma, Wenbing; Hu, Zhiyong; Meng, Xianjiao; Li, Zhichun; Yuan, Changchun; Zhou, Tao; Han, Xinghua","A simple fluorescent probe for detection of Ag+ and Cd2+ and its Cd2+ complex for sequential recognition of S2−","RSC Advances","2020","10","31","18434","18439","10.1039/D0RA01768J","","","0.71073","MoKα","","0.1748","0.0808","","","0.1869","0.242","","","","","","1.014","","","","has coordinates,has disorder","258101","2020-10-21","18:00:00",""
"7240544","25.8107","0.0009","25.8107","0.0009","25.8107","0.0009","90","","90","","90","","17194.9","1","220","2","220","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C24 H12 O13 Zn4 -","- C24 H12 O13 Zn4 -","- C192 H96 O104 Zn32 -","8","0.0416667","","Villemot, Vincent; Hamel, Matthieu; Pansu, Robert B.; Leray, Isabelle; Bertrand, Guillaume H. V.","Unravelling the true MOF-5 luminescence","RSC Advances","2020","10","31","18418","18422","10.1039/D0RA02509G","","","0.71073","MoKα","","0.0883","0.0619","","","0.1692","0.1831","","","","","","1.119","","","","has coordinates","258100","2020-10-21","18:00:00",""
"7240545","10.6296","0.0006","12.6093","0.0008","16.8042","0.0011","90","","100.854","0.001","90","","2212","0.2","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 Cl2 Ga N4 S -","- C20 H23 Cl2 Ga N4 S -","- C80 H92 Cl8 Ga4 N16 S4 -","4","1","","Qi, Jinxu; Liu, Taichen; Zhao, Wei; Zheng, Xinhua; Wang, Yihong","Synthesis, crystal structure and antiproliferative mechanisms of gallium(iii) complexes with benzoylpyridine thiosemicarbazones","RSC Advances","2020","10","32","18553","18559","10.1039/D0RA02913K","","","0.71073","MoKα","","0.0529","0.0368","","","0.0894","0.0969","","","","","","1.041","","","","has coordinates","258002","2020-10-21","18:00:00",""
"7240553","12.70194","0.00013","15.37677","0.00017","15.55588","0.00017","90","","90","","90","","3038.29","0.06","150","2","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","mesaconitine","","","- C33 H45 N O11 -","- C33 H45 N O11 -","- C132 H180 N4 O44 -","4","1","","Zeng, Ziyu; Qasem, Ashraf M. A.; Kociok-Köhn, Gabriele; Rowan, Michael G.; Blagbrough, Ian S.","The 1α-hydroxy-A-rings of norditerpenoid alkaloids are twisted-boat conformers","RSC Advances","2020","10","32","18797","18805","10.1039/D0RA03811C","","x-ray","1.54184","CuKα","","0.0271","0.0268","","","0.068","0.0683","","","","","","1.039","","","","has coordinates","257999","2020-10-21","18:00:00",""
"7240554","8.9253","0.00009","13.08371","0.00015","9.80866","0.0001","90","","93.4553","0.0009","90","","1143.33","0.02","150","2","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","condelphine","","","- C25 H39 N O6 -","- C25 H39 N O6 -","- C50 H78 N2 O12 -","2","1","","Zeng, Ziyu; Qasem, Ashraf M. A.; Kociok-Köhn, Gabriele; Rowan, Michael G.; Blagbrough, Ian S.","The 1α-hydroxy-A-rings of norditerpenoid alkaloids are twisted-boat conformers","RSC Advances","2020","10","32","18797","18805","10.1039/D0RA03811C","","x-ray","1.54184","CuKα","","0.0301","0.0299","","","0.0757","0.0759","","","","","","1.062","","","","has coordinates","257999","2020-10-21","18:00:00",""
"7240555","9.9215","0.0014","11.0863","0.0016","12.2729","0.0017","111.943","0.002","102.76","0.002","106.552","0.002","1116","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 N2 O8 Zn -","- C25 H18 N2 O8 Zn -","- C50 H36 N4 O16 Zn2 -","2","1","","Zhou, Shan-He; Wang, Jun; Liu, Yi-Wei; Zhong, Yuyu; Sun, Yan-Chun; Xie, Bin; Ma, Aiqing; Singh, Amita; Muddassir, Mohd.; Kumar, Abhinav","Structures and photocatalytic properties of two new Zn(ii) coordination polymers based on semi-rigid V-shaped multicarboxylate ligands","RSC Advances","2020","10","32","18721","18727","10.1039/D0RA02222E","","","0.71073","MoKα","","0.0417","0.0326","","","0.0824","0.0866","","","","","","1.05","","","","has coordinates","258000","2020-10-21","18:00:00",""
"7240556","32.621","0.005","9.236","0.004","18.455","0.005","90","","98.21","0.02","90","","5503","3","250","0.1","250","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H38 N6 O14 Zn3 -","- C60 H38 N6 O14 Zn3 -","- C240 H152 N24 O56 Zn12 -","4","0.5","","Zhou, Shan-He; Wang, Jun; Liu, Yi-Wei; Zhong, Yuyu; Sun, Yan-Chun; Xie, Bin; Ma, Aiqing; Singh, Amita; Muddassir, Mohd.; Kumar, Abhinav","Structures and photocatalytic properties of two new Zn(ii) coordination polymers based on semi-rigid V-shaped multicarboxylate ligands","RSC Advances","2020","10","32","18721","18727","10.1039/D0RA02222E","","x-ray","1.54184","CuKα","","0.1236","0.0993","","","0.2785","0.3126","","","","","","1.066","","","","has coordinates,has disorder","258000","2020-10-21","18:00:00",""
"7240557","9.3938","0.0006","13.3012","0.0008","8.5716","0.0006","90","","90","","90","","1071.01","0.12","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C1.17 H12.84 Mn N2 O6 P2.83 -","- C1.17 H12.84 Mn N2 O6 P2.83 -","- C4.68 H51.36 Mn4 N8 O24 P11.32 -","4","0.5","","Mączka, Mirosław; Gągor, Anna; Pikul, Adam; Stefańska, Dagmara","Novel hypophosphite hybrid perovskites of [CH3NH2NH2][Mn(H2POO)3] and [CH3NH2NH2][Mn(H2POO)2.83(HCOO)0.17] exhibiting antiferromagnetic order and red photoluminescence","RSC Advances","2020","10","32","19020","19026","10.1039/D0RA03397A","","x-ray","0.71073","MoKα","","0.0497","0.0369","","","0.097","0.1063","","","","","","1.095","","","","has coordinates","257997","2020-10-21","18:00:00",""
"7240558","9.2009","0.0006","13.2604","0.0008","8.5408","0.0006","90","","90","","90","","1042.04","0.12","100","0.2","100","0.2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C H13 Mn N2 O6 P3 -","- C H13 Mn N2 O6 P3 -","- C4 H52 Mn4 N8 O24 P12 -","4","0.5","","Mączka, Mirosław; Gągor, Anna; Pikul, Adam; Stefańska, Dagmara","Novel hypophosphite hybrid perovskites of [CH3NH2NH2][Mn(H2POO)3] and [CH3NH2NH2][Mn(H2POO)2.83(HCOO)0.17] exhibiting antiferromagnetic order and red photoluminescence","RSC Advances","2020","10","32","19020","19026","10.1039/D0RA03397A","","x-ray","0.71073","MoKα","","0.029","0.0284","","","0.0825","0.0829","","","","","","1.183","","","","has coordinates","257997","2020-10-21","18:00:00",""
"7240559","9.4005","0.0006","13.299","0.0008","8.6191","0.0006","90","","90","","90","","1077.54","0.12","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C H13 Mn N2 O6 P3 -","- C H13 Mn N2 O6 P3 -","- C4 H52 Mn4 N8 O24 P12 -","4","0.5","","Mączka, Mirosław; Gągor, Anna; Pikul, Adam; Stefańska, Dagmara","Novel hypophosphite hybrid perovskites of [CH3NH2NH2][Mn(H2POO)3] and [CH3NH2NH2][Mn(H2POO)2.83(HCOO)0.17] exhibiting antiferromagnetic order and red photoluminescence","RSC Advances","2020","10","32","19020","19026","10.1039/D0RA03397A","","x-ray","0.71073","MoKα","","0.0432","0.0343","","","0.0929","0.1002","","","","","","1.054","","","","has coordinates","257997","2020-10-21","18:00:00",""
"7240560","6.207","0.0002","17.4113","0.0006","10.8693","0.0004","90","","99.503","0.001","90","","1158.55","0.07","178","2","178.27","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 N O2 S -","- C14 H9 N O2 S -","- C56 H36 N4 O8 S4 -","4","1","","Lu, Shi-Chao; Wu, Botao; Zhang, Shi-Peng; Gong, Ya-Ling; Xu, Shu","K2S2O8-mediated radical cyclisation of 2-alkynylthioanisoles or -selenoanisoles: a green and regioselective route to 3-nitrobenzothiophenes and benzoselenophenes","RSC Advances","2020","10","32","19083","19087","10.1039/D0RA03894F","","","1.34139","GaKα","","0.0558","0.0543","","","0.1424","0.1441","","","","","","1.055","","","","has coordinates","257998","2020-10-21","18:00:00",""
"7240561","11.2883","0.0004","9.8313","0.0004","18.7276","0.0007","90","","101.498","0.004","90","","2036.65","0.14","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 N2 O3 -","- C25 H22 N2 O3 -","- C100 H88 N8 O12 -","4","1","","Bakthadoss, Manickam; Surendar, Manickam","Cascade annulation reaction (CAR): highly diastereoselective synthesis of pyranopyrazole scaffolds","RSC Advances","2020","10","32","19003","19007","10.1039/D0RA03400B","","","0.71073","MoKα","","0.0809","0.0497","","","0.1155","0.1334","","","","","","1.035","","","","has coordinates","258001","2020-10-21","18:00:00",""
"7240562","9.6663","0.0014","10.7447","0.0016","10.7533","0.001","66.9","0.012","85.83","0.01","80.391","0.012","1012.9","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H18 N2 O3 -","- C25 H18 N2 O3 -","- C50 H36 N4 O6 -","2","1","","Bakthadoss, Manickam; Surendar, Manickam","Cascade annulation reaction (CAR): highly diastereoselective synthesis of pyranopyrazole scaffolds","RSC Advances","2020","10","32","19003","19007","10.1039/D0RA03400B","","","0.71073","MoKα","","0.0583","0.0455","","","0.1134","0.1231","","","","","","1.029","","","","has coordinates","258001","2020-10-21","18:00:00",""
"7240563","19.8306","0.0005","27.6106","0.001","20.8093","0.0009","90","","91.117","0.003","90","","11391.7","0.7","293","2","293","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","Ag43","","- C166 H0.5 Ag43 F24 O28 S8 -","- C168 Ag43 F12 O24 S8 -","- C336 Ag86 F24 O48 S16 -","2","0.25","","Li, Ting; Cui, Xiaoqin; Liang, Linfeng; Luo, Cui; Li, Huan; Zhang, Xian-Ming","A triflate and alkynyl protected Ag43 nanocluster with a passivated surface","RSC Advances","2020","10","33","19397","19400","10.1039/D0RA01244K","","","1.54184","CuKα","","0.1479","0.1218","","","0.3819","0.4054","","","","","","1.463","","","","has coordinates,has disorder","258017","2020-10-21","18:00:00",""
"7240579","19.985","0.003","7.6989","0.001","21.093","0.004","90","","90","","90","","3245.4","0.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H19 N7 O2 -","- C15 H19 N7 O2 -","- C120 H152 N56 O16 -","8","1","","Colombo Dugoni, Greta; Baggioli, Alberto; Famulari, Antonino; Sacchetti, Alessandro; Martí-Rujas, Javier; Mariani, Mario; Macerata, Elena; Mossini, Eros; Mele, Andrea","Structural properties of the chelating agent 2,6-bis(1-(3-hydroxypropyl)-1,2,3-triazol-4-yl)pyridine: a combined XRD and DFT structural study","RSC Advances","2020","10","33","19629","19635","10.1039/D0RA04142D","","","1.54178","CuKα","","0.0459","0.0405","","","0.1012","0.1062","","","","","","1.061","","","","has coordinates","258014","2020-10-21","18:00:00",""
"7240580","12.2814","0.0014","12.4871","0.0016","16.249","0.002","90","","90","","90","","2491.9","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H27 N5 O5 -","- C29 H27 N5 O5 -","- C116 H108 N20 O20 -","4","1","","Patel, Divyang M.; Patel, Hetal J.; Padrón, José M.; Patel, Hitendra M.","A novel substrate directed multicomponent reaction for the syntheses of tetrahydro-spiro[pyrazolo[4,3-f]quinoline]-8,5′-pyrimidines and tetrahydro-pyrazolo[4,3-f]pyrimido[4,5-b]quinolines via selective multiple C‒C bond formation under metal-free conditions","RSC Advances","2020","10","33","19600","19609","10.1039/D0RA02990D","","","0.71073","MoKα","","0.0661","0.0517","","","0.1406","0.152","","","","","","1.075","","","","has coordinates","258016","2020-10-21","18:00:00",""
"7240581","9.6991","0.0004","15.1736","0.0007","18.5825","0.0009","90","","101.75","0.002","90","","2677.5","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 Cl2 N5 O3 -","- C27 H21 Cl2 N5 O3 -","- C108 H84 Cl8 N20 O12 -","4","1","","Patel, Divyang M.; Patel, Hetal J.; Padrón, José M.; Patel, Hitendra M.","A novel substrate directed multicomponent reaction for the syntheses of tetrahydro-spiro[pyrazolo[4,3-f]quinoline]-8,5′-pyrimidines and tetrahydro-pyrazolo[4,3-f]pyrimido[4,5-b]quinolines via selective multiple C‒C bond formation under metal-free conditions","RSC Advances","2020","10","33","19600","19609","10.1039/D0RA02990D","","","0.71073","MoKα","","0.1904","0.1802","","","0.5419","0.5603","","","","","","2.792","","","","has coordinates","258016","2020-10-21","18:00:00",""
"7240582","10.1063","0.0013","10.6214","0.0012","12.8286","0.0016","94.851","0.004","97.256","0.004","111.253","0.003","1260.4","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 Br N5 O2 -","- C18 H12 Br N5 O2 -","- C36 H24 Br2 N10 O4 -","2","1","","Patel, Divyang M.; Patel, Hetal J.; Padrón, José M.; Patel, Hitendra M.","A novel substrate directed multicomponent reaction for the syntheses of tetrahydro-spiro[pyrazolo[4,3-f]quinoline]-8,5′-pyrimidines and tetrahydro-pyrazolo[4,3-f]pyrimido[4,5-b]quinolines via selective multiple C‒C bond formation under metal-free conditions","RSC Advances","2020","10","33","19600","19609","10.1039/D0RA02990D","","","0.71073","MoKα","","0.0795","0.0584","","","0.1734","0.1865","","","","","","1.053","","","","has coordinates","258016","2020-10-21","18:00:00",""
"7240585","8.0733","0.0012","8.0733","0.0012","101.06","0.017","90","","90","","90","","6586.9","1.8","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C37 H37 N3 O6 S -","- C37 H37 N3 O6 S -","- C296 H296 N24 O48 S8 -","8","1","","Riebe, Steffen; Zimmermann, Alexander; Koch, Johannes; Vallet, Cecilia; Knauer, Shirley K.; Sowa, Andrea; Wölper, Christoph; Voskuhl, Jens","Lipofection with estrone-based luminophores featuring aggregation-induced emission properties","RSC Advances","2020","10","33","19643","19647","10.1039/D0RA03608K","","","1.54178","CuKα","","0.0989","0.0985","","","0.2257","0.2258","","","","","","1.347","","","","has coordinates","258015","2020-10-21","18:00:00",""
"7240591","11.4024","0.0002","11.021","0.0003","17.2462","0.0003","90","","90.347","0.002","90","","2167.22","0.08","113","","113","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N O4 -","- C27 H23 N O4 -","- C108 H92 N4 O16 -","4","1","","Mousavi, S. Hekmat; Mohammadizadeh, Mohammad Reza; Arimitsu, Satoru; Saberi, Dariush; Poorsadeghi, Samira; Genta, Kojya","Metal-free syntheses of new azocines via addition reactions of enaminones with acenaphthoquinone followed by oxidative cleavages of the corresponding vicinal diols","RSC Advances","2020","10","35","20552","20557","10.1039/D0RA02852E","","x-ray","0.71073","MoKα","","0.0827","0.0546","","","0.1084","0.1215","","","","","","1.035","","","","has coordinates","258127","2020-10-21","18:00:00",""
"7240595","6.4707","0.0003","6.4978","0.0002","13.6439","0.0005","96.434","0.003","102.426","0.004","94.819","0.003","553.23","0.04","100","0.5","100","0.5","","","","","","","Penicillium chrysogenum CCTCC M 2020019","5","P -1","-P 1","2","","Xanthocillin X","","- C11 H12 N O2 S -","- C11 H12 N O2 S -","- C22 H24 N2 O4 S2 -","2","1","","Khan, Imran; Zhang, Haibo; Liu, Wei; Zhang, Liping; Peng, Fang; Chen, Yuchan; Zhang, Qingbo; Zhang, Guangtao; Zhang, Weimin; Zhang, Changsheng","Identification and bioactivity evaluation of secondary metabolites from Antarctic-derived Penicillium chrysogenum CCTCC M 2020019","RSC Advances","2020","10","35","20738","20744","10.1039/D0RA03529G","","x-ray","1.54184","CuKα","","0.0465","0.0457","","","0.1357","0.1367","","","","","","1.1","","","","has coordinates","258126","2020-10-21","18:00:00",""
"7240596","12.9027","0.0009","6.9592","0.0004","18.0598","0.0016","90","","90","","90","","1621.6","0.2","105","8","105","8","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-[2-trans-(4-hydroxyphenyl) ethenyl] formamide","","- C9 H9 N O2 -","- C9 H9 N O2 -","- C72 H72 N8 O16 -","8","1","","Khan, Imran; Zhang, Haibo; Liu, Wei; Zhang, Liping; Peng, Fang; Chen, Yuchan; Zhang, Qingbo; Zhang, Guangtao; Zhang, Weimin; Zhang, Changsheng","Identification and bioactivity evaluation of secondary metabolites from Antarctic-derived Penicillium chrysogenum CCTCC M 2020019","RSC Advances","2020","10","35","20738","20744","10.1039/D0RA03529G","","x-ray","1.54184","CuKα","","0.0605","0.0437","","","0.1136","0.1227","","","","","","1.068","","","","has coordinates","258126","2020-10-21","18:00:00",""
"7240597","6.9104","0.0003","19.6432","0.0007","14.0505","0.0005","90","","100.235","0.004","90","","1876.9","0.13","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N4 O2 S -","- C21 H18 N4 O2 S -","- C84 H72 N16 O8 S4 -","4","1","","Arshad, Nasima; Rafiq, Mamoona; Ujan, Rabail; Saeed, Aamer; Farooqi, Shahid I.; Perveen, Fouzia; Channar, Pervaiz Ali; Ashraf, Saba; Abbas, Qamar; Ahmed, Ashfaq; Hokelek, Tuncer; Kaur, Manpreet; Jasinski, Jerry P.","Synthesis, X-ray crystal structure elucidation and Hirshfeld surface analysis of N-((4-(1H-benzo[d]imidazole-2-yl)phenyl)carbamothioyl)benzamide: investigations for elastase inhibition, antioxidant and DNA binding potentials for biological applications","RSC Advances","2020","10","35","20837","20851","10.1039/D0RA02501A","","x-ray","0.71073","MoKα","","0.0856","0.057","","","0.1497","0.1744","","","","","","1.027","","","","has coordinates","258125","2020-10-21","18:00:00",""
"7240627","12.837","0.003","8.8654","0.0018","15.322","0.003","90","","105.87","0.03","90","","1677.3","0.7","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H17 N S2 -","- C19 H17 N S2 -","- C76 H68 N4 S8 -","4","0.5","","Landarani-Isfahani, Amir; Mohammadpoor-Baltork, Iraj; Mirkhani, Valiollah; Moghadam, Majid; Tangestaninejad, Shahram; Amiri Rudbari, Hadi","Palladium nanoparticles immobilized on a nano-silica triazine dendritic polymer: a recyclable and sustainable nanoreactor for C‒S cross-coupling","RSC Advances","2020","10","36","21198","21205","10.1039/D0RA00719F","","","0.71073","MoKα","","0.1915","0.1168","","","0.1411","0.1602","","","","","","1.215","","","","has coordinates","258118","2020-10-21","18:00:00",""
"7240635","10.1228","0.001","10.5481","0.0011","19.5768","0.0019","78.37","0.009","85.218","0.008","72.376","0.009","1950.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H58 Cl6 N6 -","- C34 H58 Cl6 N6 -","- C68 H116 Cl12 N12 -","2","1","","Rakhimova, Elena B.; Kirsanov, Victor Yu.; Tret'yakova, Elena V.; Khalilov, Leonard M.; Ibragimov, Askhat G.; Dzhemileva, Lilya U.; D'yakonov, Vladimir A.; Dzhemilev, Usein M.","Synthesis, structure, and antitumor activity of 2,9-disubstituted perhydro 2,3a,7b,9,10a,14b-hexaazadibenzotetracenes","RSC Advances","2020","10","36","21039","21048","10.1039/D0RA03209C","","x-ray","0.71073","MoKα","","0.26","0.0751","","","0.1721","0.2723","","","","","","0.872","","","","has coordinates","258119","2020-10-21","18:00:00",""
"7240636","39.208","0.003","4.9186","0.0003","5.1714","0.0004","90","","90.465","0.003","90","","997.26","0.12","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H28 Cl3 N3 -","- C18 H28 Cl3 N3 -","- C36 H56 Cl6 N6 -","2","0.5","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.0398","0.0376","","","0.0907","0.0915","","","","","","1.093","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240637","9.713","0.0003","10.9592","0.0003","5.5558","0.0002","90","","90","","90","","591.4","0.03","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H10 N O2 P -","- C3 H10 N O2 P -","- C12 H40 N4 O8 P4 -","4","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.0183","0.0181","","","0.052","0.0522","","","","","","1.15","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240638","6.4395","0.0002","17.5869","0.0005","22.0784","0.0006","89.2506","0.0016","89.6121","0.0012","83.8238","0.0012","2485.64","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H39 N2 O3 P -","- C26 H39 N2 O3 P -","- C104 H156 N8 O12 P4 -","4","2","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.0858","0.0506","","","0.1032","0.1164","","","","","","1.026","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240639","10.2763","0.0004","9.17","0.0003","15.3112","0.0006","90","","103.229","0.001","90","","1404.54","0.09","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N O2 P -","- C15 H18 N O2 P -","- C60 H72 N4 O8 P4 -","4","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.0338","0.031","","","0.0798","0.0817","","","","","","1.06","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240640","13.364","0.0006","8.5851","0.0004","20.1404","0.0011","90","","91.384","0.002","90","","2310.1","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H22 N O4 P -","- C7 H22 N O4 P -","- C56 H176 N8 O32 P8 -","8","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.0329","0.0288","","","0.0746","0.0767","","","","","","1.075","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240641","9.7954","0.0005","9.9645","0.0005","11.1729","0.0006","73.496","0.002","82.075","0.002","87.525","0.002","1035.62","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H28 N O3 P -","- C23 H28 N O3 P -","- C46 H56 N2 O6 P2 -","2","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.0415","0.0345","","","0.0857","0.0902","","","","","","1.007","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240642","10.3557","0.0004","12.4193","0.0005","13.5892","0.0004","90","","90","","90","","1747.71","0.11","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H14 N O4 P -","- C5 H14 N O4 P -","- C40 H112 N8 O32 P8 -","8","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.0402","0.0338","","","0.0839","0.0879","","","","","","1.059","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240643","5.1523","0.0006","7.4078","0.0009","11.8502","0.0014","101.004","0.005","95.811","0.005","103.446","0.005","426.75","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H10 N O6 P -","- C5 H10 N O6 P -","- C10 H20 N2 O12 P2 -","2","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","1.54178","CuKα","","0.0345","0.0309","","","0.0798","0.0821","","","","","","1.055","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240644","9.4746","0.0004","11.3717","0.0005","23.1551","0.001","90","","91.99","0.001","90","","2493.28","0.19","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 N O5 P2 -","- C27 H29 N O5 P2 -","- C108 H116 N4 O20 P8 -","4","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.042","0.0337","","","0.0787","0.084","","","","","","1.045","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240645","7.905","0.0004","7.9314","0.0004","11.8753","0.0005","90","","90","","90","","744.55","0.06","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H10 N O4 P -","- C4 H10 N O4 P -","- C16 H40 N4 O16 P4 -","4","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.02","0.0197","","","0.0552","0.0554","","","","","","1.09","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240646","5.5885","0.0003","19.1273","0.0012","8.3332","0.0005","90","","103.684","0.003","90","","865.48","0.09","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H12.5 N O4.25 P -","- C6 H12.5 N O4.25 P -","- C24 H50 N4 O17 P4 -","4","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","1.54178","CuKα","","0.0467","0.0431","","","0.1067","0.1089","","","","","","1.121","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240647","5.6105","0.0002","21.6543","0.0009","8.996","0.0004","90","","94.695","0.002","90","","1089.27","0.08","120","2","120","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C21 H24 N3 O8 P -","- C21 H20 N3 O6 P -","- C42 H40 N6 O12 P2 -","2","0.5","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","1.54178","CuKα","","0.0451","0.0428","","","0.105","0.1064","","","","","","1.079","","","","has coordinates,has disorder","258120","2020-10-21","18:00:00",""
"7240648","7.0189","0.0003","5.7569","0.0002","15.9662","0.0008","90","","98.694","0.002","90","","637.73","0.05","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H17 N O5 P2 -","- C9 H17 N O5 P2 -","- C18 H34 N2 O10 P4 -","2","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.0375","0.0308","","","0.0734","0.0761","","","","","","1.043","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240649","5.661","0.0002","8.5501","0.0003","12.0035","0.0004","78.854","0.001","79.171","0.001","78.139","0.001","551.19","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H14 N O4 P -","- C10 H14 N O4 P -","- C20 H28 N2 O8 P2 -","2","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.0336","0.0304","","","0.0739","0.0759","","","","","","1.045","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240650","8.6777","0.0003","11.9197","0.0003","10.7504","0.0003","90","","104.459","0.001","90","","1076.75","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H17 N O4 P2 -","- C6 H17 N O4 P2 -","- C24 H68 N4 O16 P8 -","4","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.0243","0.0238","","","0.0666","0.067","","","","","","1.052","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240651","10.4097","0.0004","6.3878","0.0003","27.1688","0.0012","90","","90","","90","","1806.59","0.14","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C8 H12 N O2 P -","- C8 H12 N O2 P -","- C64 H96 N8 O16 P8 -","8","2","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.0433","0.0415","","","0.1078","0.109","","","","","","1.048","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240652","8.5485","0.0002","8.7247","0.0002","10.3439","0.0002","71.418","0.001","68.689","0.001","81.28","0.001","680.7","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H26 N O2 P -","- C13 H26 N O2 P -","- C26 H52 N2 O4 P2 -","2","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.0353","0.0312","","","0.0821","0.0846","","","","","","1.048","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240653","9.9559","0.0005","10.8993","0.0005","11.2372","0.0005","110.848","0.001","92.553","0.001","110","0.001","1051.45","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H23 N2 O4 P -","- C24 H23 N2 O4 P -","- C48 H46 N4 O8 P2 -","2","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","1.54178","CuKα","","0.0373","0.0333","","","0.081","0.0834","","","","","","1.036","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240673","18.8673","0.0016","10.1312","0.0009","11.7065","0.0011","90","","105.297","0.003","90","","2158.4","0.3","298","2","298.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 O7 -","- C25 H24 O7 -","- C100 H96 O28 -","4","1","","Chen, Qinfang; Pan, Yihao; Zhao, Dongxin; Yang, Weiran; Zheng, Jing","Construct indeno[1,2-b]oxepine or cis-cyclopropylacrylate by sulfur ylides","RSC Advances","2020","10","37","21895","21906","10.1039/D0RA03919E","","","0.71073","MoKα","","0.1674","0.0644","","","0.1247","0.1586","","","","","","0.881","","","","has coordinates","257982","2020-10-21","18:00:00",""
"7240674","26.1711","0.0017","10.0725","0.0007","11.4469","0.0008","90","","90.896","0.005","90","","3017.1","0.4","170","2","169.99","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H13 N3 O2 -","- C17 H13 N3 O2 -","- C136 H104 N24 O16 -","8","1","","Chen, Qinfang; Pan, Yihao; Zhao, Dongxin; Yang, Weiran; Zheng, Jing","Construct indeno[1,2-b]oxepine or cis-cyclopropylacrylate by sulfur ylides","RSC Advances","2020","10","37","21895","21906","10.1039/D0RA03919E","","","1.34139","GaKα","","0.1108","0.0718","","","0.1836","0.2159","","","","","","1.051","","","","has coordinates","257982","2020-10-21","18:00:00",""
"7240675","6.291","0.0005","16.2664","0.0011","23.223","0.002","90","","100","0.18","90","","2340.4","1.3","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N3 O4 -","- C28 H24 N3 O4 -","- C112 H96 N12 O16 -","4","1","","Youssef, M. Adel; Panda, Siva S.; El-Shiekh, Riham A.; Shalaby, ElSayed M.; Aboshouk, Dalia R.; Fayad, Walid; Fawzy, Nehmedo G.; Girgis, Adel S.","Synthesis and molecular modeling studies of cholinesterase inhibitor dispiro[indoline-3,2′-pyrrolidine-3′,3′′-pyrrolidines]","RSC Advances","2020","10","37","21830","21838","10.1039/D0RA03064C","","x-ray","0.71073","MoKα","","0.4147","0.1146","","0.071","0.0416","0.0416","","","","","","1.0575","","","","has coordinates","257981","2020-10-21","18:00:00",""
"7240676","12.4131","0.0009","7.267","0.0007","13.508","0.001","90","","113.147","0.002","90","","1120.41","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N4 O3 S -","- C10 H12 N4 O3 S -","- C40 H48 N16 O12 S4 -","4","1","","Shah, Syed Raza; Ali, Muhammad; Anwar, Muhammad U.; Al-Harrasi, Ahmed","A highly green approach towards aromatic nitro group substitutions: catalyst free reactions of nitroimidazoles with carbon nucleophiles in water","RSC Advances","2020","10","36","21656","21661","10.1039/D0RA03640D","","","0.71073","MoKα","","0.0609","0.0446","","","0.1165","0.1284","","","","","","1.048","","","","has coordinates","258121","2020-10-21","18:00:00",""
"7240677","12.1408","0.0006","11.8095","0.0006","14.8569","0.0007","90","","108.558","0.002","90","","2019.37","0.17","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 N4 O6 -","- C20 H24 N4 O6 -","- C80 H96 N16 O24 -","4","1","","Shah, Syed Raza; Ali, Muhammad; Anwar, Muhammad U.; Al-Harrasi, Ahmed","A highly green approach towards aromatic nitro group substitutions: catalyst free reactions of nitroimidazoles with carbon nucleophiles in water","RSC Advances","2020","10","36","21656","21661","10.1039/D0RA03640D","","","0.71073","MoKα","","0.067","0.0506","","","0.1397","0.163","","","","","","1.016","","","","has coordinates","258121","2020-10-21","18:00:00",""
"7240679","23.099","0.007","10.57","0.003","9.121","0.002","90","","90","","90","","2227","1","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C29 H21 Cl N2 O -","- C29 H21 Cl N2 O -","- C116 H84 Cl4 N8 O4 -","4","1","","Zhang, Yuanfei; Huang, Ting; Li, Xinghua; Zhang, Min; Song, Ying; Huang, Kelin; Su, Weiping","Rh(iii)-catalyzed spiroannulation of 3-arylquinoxalin-2(1H)-ones with alkynes: practical access to spiroquinoxalinones","RSC Advances","2020","10","37","22216","22221","10.1039/D0RA03348K","","","0.71073","MoKα","","0.1216","0.0494","","","0.1091","0.1467","","","","","","1.028","","","","has coordinates","257979","2020-10-21","18:00:00",""
"7240680","14.8885","0.0007","15.0825","0.0006","15.1336","0.0006","104.859","0.003","104.285","0.003","117.418","0.003","2639","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H54 Fe2 N6 O12 -","- C54 H53 Fe2 N6 O12 -","- C108 H106 Fe4 N12 O24 -","2","1","","Taniya, Seikh; Khanra, Somnath; Ta, Sabyasachi; Chatterjee, Sudeshna; Salam, Noor; Das, Debasis","Exploring a new dinuclear Fe(iii) complex for the fixation of atmospheric CO2 and optical recognition of nano-molar levels of Zn2+ ions","RSC Advances","2020","10","37","22284","22290","10.1039/D0RA01698E","","","0.71073","MoKα","","0.1708","0.0773","","","0.1602","0.2255","","","","","","1.027","","","","has coordinates","257980","2020-10-21","18:00:00",""
"7240683","5.5616","0.0003","17.9003","0.0013","15.541","0.0009","90","","94.111","0.005","90","","1543.19","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H20 N4 O3 -","- C15 H20 N4 O3 -","- C60 H80 N16 O12 -","4","2","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.71073","MoKα","K-L~3~","0.1515","0.0684","","","0.1188","0.1447","","","","","","1.004","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240684","8.2749","0.0001","9.8955","0.0001","21.8743","0.0003","82.107","0.001","86.694","0.001","85.775","0.001","1767.32","0.04","30","2","30","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 N4 O -","- C19 H22 N4 O -","- C76 H88 N16 O4 -","4","2","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.6889","synchrotron","","0.0866","0.0817","","","0.226","0.2295","","","","","","1.162","","","","has coordinates,has disorder","258138","2020-10-21","18:00:00",""
"7240685","9.3748","0.0002","9.6012","0.0002","12.5616","0.0003","90","","104.848","0.002","90","","1092.91","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H30 N4 O -","- C24 H30 N4 O -","- C48 H60 N8 O2 -","2","1","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.6889","synchrotron","","0.0627","0.0519","","","0.1233","0.1321","","","","","","1.014","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240686","8.6","0.003","9.896","0.004","11.88","0.003","90","","106.38","0.02","90","","970","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H26 N4 O -","- C21 H26 N4 O -","- C42 H52 N8 O2 -","2","1","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.6889","synchrotron","","0.0508","0.0491","","","0.1291","0.1311","","","","","","1.094","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240687","9.8292","0.0002","12.6358","0.0004","10.1195","0.0002","90","","94.835","0.002","90","","1252.37","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H16 N4 O -","- C13 H16 N4 O -","- C52 H64 N16 O4 -","4","2","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","1.54184","CuKα","","0.0502","0.0451","","","0.1169","0.1207","","","","","","1.033","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240688","8.9903","0.0005","10.1684","0.0006","10.7191","0.0007","104.553","0.006","110.229","0.006","105.243","0.006","821.31","0.11","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H22 N4 O3 -","- C16 H22 N4 O3 -","- C32 H44 N8 O6 -","2","2","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.9028","synchrotron","","0.089","0.0767","","","0.1904","0.2073","","","","","","0.956","","","","has coordinates,has disorder","258138","2020-10-21","18:00:00",""
"7240689","9.6282","0.0001","13.8844","0.0002","11.73","0.0001","90","","102.913","0.001","90","","1528.43","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H22 N4 O3 -","- C12 H22 N4 O3 -","- C48 H88 N16 O12 -","4","2","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.9028","synchrotron","","0.0881","0.0747","","","0.1979","0.2109","","","","","","1.037","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240690","7.98857","0.00009","11.71525","0.00011","13.9964","0.00013","90","","90","","90","","1309.9","0.02","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 N4 O -","- C13 H18 N4 O -","- C52 H72 N16 O4 -","4","1","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.6889","synchrotron","","0.0521","0.0474","","","0.1203","0.1235","","","","","","1.071","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240691","9.1851","0.0003","9.3856","0.0002","9.6867","0.0003","68.2","0.002","89.701","0.002","86.138","0.002","773.41","0.04","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C13 H24 N4 O3 -","- C13 H24 N4 O3 -","- C26 H48 N8 O6 -","2","2","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","1.54184","CuKα","","0.0627","0.0609","","","0.1724","0.175","","","","","","1.077","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240692","9.8466","0.0004","9.8466","0.0004","29.7164","0.0012","90","","90","","120","","2495.17","0.18","100","2","100","2","","","","","","","","4","P 65","P 65","170","","","","- C19 H20 N4 O -","- C19 H20 N4 O -","- C114 H120 N24 O6 -","6","1","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.6889","synchrotron","","0.1011","0.065","","","0.1651","0.1916","","","","","","0.948","","","","has coordinates,has disorder","258138","2020-10-21","18:00:00",""
"7240693","9.7621","0.0004","13.2127","0.0004","21.9038","0.0007","90","","90","","90","","2825.23","0.17","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H21 N3 O3 -","- C11 H21 N3 O3 -","- C88 H168 N24 O24 -","8","2","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","1.54184","CuKα","","0.1517","0.139","","","0.3735","0.3834","","","","","","1.477","","","","has coordinates,has disorder","258138","2020-10-21","18:00:00",""
"7240694","10.0504","0.0006","24.8719","0.0007","10.3198","0.0006","90","","114.323","0.007","90","","2350.7","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H39 N5 O2 -","- C23 H39 N5 O2 -","- C92 H156 N20 O8 -","4","2","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.71073","MoKα","K-L~3~","0.1263","0.1049","","","0.2918","0.3114","","","","","","1.255","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240695","12.7286","0.0003","13.6712","0.0003","15.1669","0.0004","90","","113.349","0.003","90","","2423.14","0.11","100","2","100","2","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C12 H17 N3 O -","- C12 H17 N3 O -","- C96 H136 N24 O8 -","8","2","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","1.54184","CuKα","","0.0369","0.0357","","","0.097","0.098","","","","","","1.051","","","","has coordinates,has disorder","258138","2020-10-21","18:00:00",""
"7240696","5.4173","0.0001","13.9827","0.0002","12.3897","0.0002","90","","91.254","0.001","90","","938.28","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N4 O3 -","- C20 H24 N4 O3 -","- C40 H48 N8 O6 -","2","1","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","1.54184","CuKα","","0.0292","0.0278","","","0.0676","0.0682","","","","","","1.039","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240697","9.7687","0.0005","21.9014","0.0012","13.182","0.0007","90","","89.865","0.005","90","","2820.3","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H21 N3 O3 -","- C11 H20.5 N3 O3 -","- C88 H164 N24 O24 -","8","4","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.6889","synchrotron","","0.2136","0.0743","","","0.1561","0.1955","","","","","","0.676","","","","has coordinates","295543","2024-10-18","15:17:09",""
"7240698","12.4402","0.0004","12.933","0.0004","19.1393","0.0006","90","","99.889","0.003","90","","3033.55","0.17","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C14 H20 N4 O3 -","- C14 H20 N4 O3 -","- C112 H160 N32 O24 -","8","1","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","1.54184","CuKα","","0.1479","0.1348","","","0.2896","0.2952","","","","","","1.126","","","","has coordinates,has disorder","258138","2020-10-21","18:00:00",""
"7240699","15.4703","0.001","5.1282","0.0002","19.1266","0.0013","90","","112.939","0.005","90","","1397.41","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 N4 O -","- C15 H18 N4 O -","- C60 H72 N16 O4 -","4","2","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.6889","synchrotron","","0.1551","0.0633","","","0.1323","0.1584","","","","","","0.861","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240700","9.8805","0.0001","12.7554","0.0002","17.4319","0.0002","90","","90","","90","","2196.94","0.05","100","2","100","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C11 H15 N3 O -","- C11 H15 N3 O -","- C88 H120 N24 O8 -","8","1","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","1.54184","CuKα","","0.043","0.0415","","","0.1083","0.1094","","","","","","1.069","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240701","12.0576","0.0002","11.3774","0.0002","11.1889","0.0002","90","","90","","90","","1534.94","0.05","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C30 H42 N8 O3 -","- C30 H42 N8 O3 -","- C60 H84 N16 O6 -","2","0.5","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.71073","MoKα","K-L~3~","0.0433","0.0386","","","0.0971","0.0998","","","","","","1.066","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240702","6.8313","0.0001","9.9682","0.0002","34.4021","0.0007","90","","90","","90","","2342.64","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N5 O2 -","- C25 H31 N5 O2 -","- C100 H124 N20 O8 -","4","1","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.71073","MoKα","K-L~3~","0.0611","0.0482","","","0.1135","0.1189","","","","","","1.049","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240703","12.447","0.0004","12.0122","0.0005","24.2818","0.0006","90","","102.043","0.002","90","","3550.6","0.2","35","2","35","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H45 N8 O2 -","- C36 H44 N8 O2 -","- C144 H176 N32 O8 -","4","2","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.6889","synchrotron","","0.1077","0.0721","","","0.1755","0.1969","","","","","","0.918","","","","has coordinates,has disorder","258138","2020-10-21","18:00:00",""
"7240709","11.2133","0.0005","9.1206","0.0004","12.1021","0.0005","90","","100.356","0.002","90","","1217.54","0.09","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","fluorinated chalcone","(E)-3-(2,6-difluorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one","","- C15 H9 F3 O -","- C15 H9 F3 O -","- C60 H36 F12 O4 -","4","1","","Borges, I. D.; Danielli, J. A. V.; Silva, V. E. G.; Sallum, L. O.; Queiroz, J. E.; Dias, L. D.; Iermak, I.; Aquino, G. L. B.; Camargo, A. J.; Valverde, C.; Osório, F. A. P.; Baseia, B.; Napolitano, H. B.","Synthesis and structural studies on (E)-3-(2,6-difluorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one: a promising nonlinear optical material","RSC Advances","2020","10","38","22542","22555","10.1039/D0RA03634J","","","0.71073","MoKα","","0.0554","0.046","","","0.1251","0.1356","","","","","","1.122","","","","has coordinates","258136","2020-10-21","18:00:00",""
"7240710","13.6212","0.0015","16.7386","0.0019","17.399","0.002","95.705","0.003","103.882","0.003","112.109","0.003","3487.7","0.7","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- Cu2 H80 Na12 O78 Te2 W8 -","- Cu2 Na12 O78 Te2 W8 -","- Cu4 Na24 O156 Te4 W16 -","2","1","","Li, Xuanyao; Li, Peihe; Liu, Jinghai; Lin, Zhengguo; Hu, Changwen","Copper(ii)-containing tungstotellurates(vi): syntheses, structures and their catalytic performances in selective oxidation of thioethers","RSC Advances","2020","10","38","22515","22521","10.1039/D0RA02609C","","","0.71073","MoKα","","0.0441","0.0356","","","0.0988","0.1056","","","","","","1.038","","","","has coordinates","258137","2020-10-21","18:00:00",""
"7240711","10.484","0.0008","10.68","0.0008","12.0437","0.0009","76.36","0.0017","78.2885","0.0017","61.5611","0.0016","1145.84","0.15","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C4 H48 Cu N2 Na6 O48 Te W6 -","- C4 H16 Cu N2 Na6 O48 Te W6 -","- C4 H16 Cu N2 Na6 O48 Te W6 -","1","0.5","","Li, Xuanyao; Li, Peihe; Liu, Jinghai; Lin, Zhengguo; Hu, Changwen","Copper(ii)-containing tungstotellurates(vi): syntheses, structures and their catalytic performances in selective oxidation of thioethers","RSC Advances","2020","10","38","22515","22521","10.1039/D0RA02609C","","","0.71073","MoKα","","0.0375","0.0364","","","0.0905","0.0914","","","","","","1.032","","","","has coordinates","258137","2020-10-21","18:00:00",""
"7240738","18.554","0.002","11.4743","0.0012","22.167","0.002","90","","113.88","0.004","90","","4315.2","0.8","123","","123","","","","","","","","Sarah Keller","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 Cu F6 N2 O P3 -","- C48 H40 Cu F6 N2 O P3 -","- C192 H160 Cu4 F24 N8 O4 P12 -","4","1","","Keller, Sarah; Prescimone, Alessandro; La Placa, Maria-Grazia; Junquera-Hernández, José M.; Bolink, Henk J.; Constable, Edwin C.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","The shiny side of copper: bringing copper(i) light-emitting electrochemical cells closer to application","RSC Advances","2020","10","38","22631","22644","10.1039/D0RA03824E","","","1.54178","CuKα","","0.0287","0.0284","","0.064","0.0639","0.064","","","","","","0.9127","","","","has coordinates","258139","2020-10-21","18:00:00",""
"7240739","11.8055","0.0003","15.0529","0.0004","18.6132","0.0005","113.589","0.002","92.96","0.002","108.444","0.002","2814.51","0.15","130","","130","","","","","","","","Sarah Keller","8","P -1","-P 1","2","","","","- C54.33 H50.66 Cl4.66 Cu F6 N2 O P3 -","- C52 H46 Cu F6 N2 O P3 -","- C104 H92 Cu2 F12 N4 O2 P6 -","2","1","","Keller, Sarah; Prescimone, Alessandro; La Placa, Maria-Grazia; Junquera-Hernández, José M.; Bolink, Henk J.; Constable, Edwin C.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","The shiny side of copper: bringing copper(i) light-emitting electrochemical cells closer to application","RSC Advances","2020","10","38","22631","22644","10.1039/D0RA03824E","","","1.34143","GaKα","","0.1253","0.0987","","0.3222","0.2929","0.3106","","","","","","1.0878","","","","has coordinates","258139","2020-10-21","18:00:00",""
"7240740","10.1954","0.001","21.104","0.002","10.7666","0.001","90","","102.835","0.003","90","","2258.7","0.4","123","","123","","","","","","","","Sarah Keller","7","P 1 21 1","P 2yb","4","","","","- C51 H44 Cu F6 N2 O P3 -","- C51 H44 Cu F6 N2 O P3 -","- C102 H88 Cu2 F12 N4 O2 P6 -","2","1","","Keller, Sarah; Prescimone, Alessandro; La Placa, Maria-Grazia; Junquera-Hernández, José M.; Bolink, Henk J.; Constable, Edwin C.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","The shiny side of copper: bringing copper(i) light-emitting electrochemical cells closer to application","RSC Advances","2020","10","38","22631","22644","10.1039/D0RA03824E","","","1.54178","CuKα","","0.0195","0.0195","","0.022","0.022","0.0219","","","","","","1.0919","","","","has coordinates","258139","2020-10-21","18:00:00",""
"7240741","12.3597","0.0008","16.6878","0.0011","21.4238","0.0014","90","","99.561","0.002","90","","4357.4","0.5","123","","123","","","","","","","","Sarah Keller","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H44 Cu F6 N2 O P3 -","- C50 H44 Cu F6 N2 O P3 -","- C200 H176 Cu4 F24 N8 O4 P12 -","4","1","","Keller, Sarah; Prescimone, Alessandro; La Placa, Maria-Grazia; Junquera-Hernández, José M.; Bolink, Henk J.; Constable, Edwin C.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","The shiny side of copper: bringing copper(i) light-emitting electrochemical cells closer to application","RSC Advances","2020","10","38","22631","22644","10.1039/D0RA03824E","","","1.54178","CuKα","","0.048","0.0479","","0.0477","0.0476","0.0476","","","","","","1.097","","","","has coordinates","258139","2020-10-21","18:00:00",""
"7240742","10.164","0.0008","13.9335","0.0011","18.7219","0.0014","102.552","0.002","97.085","0.002","107.584","0.002","2415.7","0.3","123","","123","","","","","","","","Sarah Keller","8","P -1","-P 1","2","","","","- C51 H42 Cl2 Cu F6 N2 O P3 -","- C50 H40 Cu F6 N2 O P3 -","- C100 H80 Cu2 F12 N4 O2 P6 -","2","1","","Keller, Sarah; Prescimone, Alessandro; La Placa, Maria-Grazia; Junquera-Hernández, José M.; Bolink, Henk J.; Constable, Edwin C.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","The shiny side of copper: bringing copper(i) light-emitting electrochemical cells closer to application","RSC Advances","2020","10","38","22631","22644","10.1039/D0RA03824E","","","1.5418","CuKα","","0.0344","0.034","","0.0808","0.0808","0.0808","","","","","","0.9218","","","","has coordinates","258139","2020-10-21","18:00:00",""
"7240743","10.5631","0.0008","21.3906","0.0016","20.2696","0.0015","90","","93.185","0.003","90","","4572.9","0.6","123","","123","","","","","","","","Sarah Keller","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H44 Cu F6 N2 O P3 -","- C53 H44 Cu F6 N2 O P3 -","- C212 H176 Cu4 F24 N8 O4 P12 -","4","1","","Keller, Sarah; Prescimone, Alessandro; La Placa, Maria-Grazia; Junquera-Hernández, José M.; Bolink, Henk J.; Constable, Edwin C.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","The shiny side of copper: bringing copper(i) light-emitting electrochemical cells closer to application","RSC Advances","2020","10","38","22631","22644","10.1039/D0RA03824E","","","1.54178","CuKα","","0.0471","0.0444","","0.1019","0.101","0.1019","","","","","","0.8993","","","","has coordinates","258139","2020-10-21","18:00:00",""
"7240744","9.7384","0.0007","14.1543","0.001","18.9271","0.0013","74.958","0.002","84.595","0.002","87.789","0.003","2508.1","0.3","130","","130","","","","","","","","Sarah Keller","7","P -1","-P 1","2","","","","- C55 H57 Cu F6 N2 O2.5 P3 -","- C49 H42 Cu F6 N2 O P3 -","- C98 H84 Cu2 F12 N4 O2 P6 -","2","1","","Keller, Sarah; Prescimone, Alessandro; La Placa, Maria-Grazia; Junquera-Hernández, José M.; Bolink, Henk J.; Constable, Edwin C.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","The shiny side of copper: bringing copper(i) light-emitting electrochemical cells closer to application","RSC Advances","2020","10","38","22631","22644","10.1039/D0RA03824E","","","1.5418","CuKα","","0.0521","0.049","","0.1501","0.1441","0.1498","","","","","","0.9723","","","","has coordinates","258139","2020-10-21","18:00:00",""
"7240745","7.6541","0.0006","14.2569","0.0015","17.3435","0.0011","89.723","0.007","87.557","0.006","87.201","0.008","1888.6","0.3","119.95","0.11","119.95","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H20 Cl3 Ho N2 O6 -","- C10 H20 Cl3 Ho N2 O6 -","- C40 H80 Cl12 Ho4 N8 O24 -","4","2","","Yinhua, Deng; Foroughi, Mohammad Mehdi; Aramesh-Boroujeni, Zahra; Jahani, Shohreh; Peydayesh, Mohadesh; Borhani, Fariba; Khatami, Mehrdad; Rohani, Meysam; Dusek, Michal; Eigner, Vaclav","The synthesis, characterization, DNA/BSA/HSA interactions, molecular modeling, antibacterial properties, and in vitro cytotoxic activities of novel parent and niosome nano-encapsulated Ho(iii) complexes","RSC Advances","2020","10","39","22891","22908","10.1039/D0RA03436C","","x-ray","0.71073","MoKα","","0.0626","0.0255","","","0.045","0.0467","","","","1.52","1.52","1.11","","","","has coordinates","295862","2024-11-09","12:08:12",""
"7240746","36.47","0.002","8.5892","0.0006","17.3656","0.0013","90","","99.376","0.006","90","","5367.1","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H35 Cl2 Co N15 O -","- C12 H35 Cl2 Co N15 O -","- C96 H280 Cl16 Co8 N120 O8 -","8","1","","Villamizar-Delgado, Stephanny; Porras-Osorio, Laura M.; Piñeros, Octavio; Ellena, Javier; Balcazar, Norman; Varela-Miranda, Ruben E.; D'Vries, Richard F.","Biguanide‒transition metals complexes as potential drug for hyperglycemia treatment","RSC Advances","2020","10","38","22856","22863","10.1039/D0RA04059B","","x-ray","0.71073","MoKα","","0.1083","0.0601","","","0.1331","0.1598","","","","","","1.009","","","","has coordinates","258140","2020-10-21","18:00:00",""
"7240747","13.3863","0.0006","14.8373","0.0009","15.7512","0.0009","90","","104.757","0.005","90","","3025.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H23 Cl N10 Ni O -","- C8 H23 Cl N10 Ni O -","- C64 H184 Cl8 N80 Ni8 O8 -","8","2","","Villamizar-Delgado, Stephanny; Porras-Osorio, Laura M.; Piñeros, Octavio; Ellena, Javier; Balcazar, Norman; Varela-Miranda, Ruben E.; D'Vries, Richard F.","Biguanide–transition metals complexes as potential drug for hyperglycemia treatment","RSC Advances","2020","10","38","22856","22863","10.1039/D0RA04059B","","x-ray","0.71073","MoKα","","0.1088","0.0554","","","0.1135","0.1444","","","","","","1.133","","","","has coordinates","295677","2024-10-30","18:34:33",""
"7240748","12.52","0.0012","7.514","0.0006","13.0298","0.0013","90","","113.199","0.012","90","","1126.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","MetZn","","- C4 H12 Cl3 N5 Zn -","- C4 H12 Cl3 N5 Zn -","- C16 H48 Cl12 N20 Zn4 -","4","1","","Villamizar-Delgado, Stephanny; Porras-Osorio, Laura M.; Piñeros, Octavio; Ellena, Javier; Balcazar, Norman; Varela-Miranda, Ruben E.; D'Vries, Richard F.","Biguanide‒transition metals complexes as potential drug for hyperglycemia treatment","RSC Advances","2020","10","38","22856","22863","10.1039/D0RA04059B","","x-ray","0.71073","MoKα","","0.0553","0.0373","","","0.0823","0.0928","","","","","","1.09","","","","has coordinates","258140","2020-10-21","18:00:00",""
"7240749","5.1596","0.0014","11.562","0.002","15.091","0.004","90","","95.63","0.03","90","","895.9","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","MFNCu1","","- C8 H26 Cl2 Cu N10 O2 -","- C8 H26 Cl2 Cu N10 O2 -","- C16 H52 Cl4 Cu2 N20 O4 -","2","0.5","","Villamizar-Delgado, Stephanny; Porras-Osorio, Laura M.; Piñeros, Octavio; Ellena, Javier; Balcazar, Norman; Varela-Miranda, Ruben E.; D'Vries, Richard F.","Biguanide‒transition metals complexes as potential drug for hyperglycemia treatment","RSC Advances","2020","10","38","22856","22863","10.1039/D0RA04059B","","x-ray","0.71073","MoKα","","0.1055","0.0585","","","0.1284","0.157","","","","","","1.041","","","","has coordinates","258140","2020-10-21","18:00:00",""
"7240750","13.9738","0.0004","9.4252","0.0002","22.9485","0.0006","90","","102.3","0.001","90","","2953.07","0.13","170","2","170","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 N4 -","- C40 H28 N4 -","- C160 H112 N16 -","4","1","","Liu, Xiao-Jing; Gao, Guan-Lei; Jiang, Hao; Jia, Yan-Rong; Xia, Min","Deep insight into reasons for the mechanoluminescence phenomenon of triphenylamine-substituted imidazoles and their distinct mechano-fluorochromic behaviours","RSC Advances","2020","10","39","23187","23195","10.1039/D0RA02737E","","","0.71073","MoKα","","0.0463","0.0375","","","0.0861","0.0923","","","","","","1.034","","","","has coordinates","258028","2020-10-21","18:00:00",""
"7240751","13.0705","0.0004","9.7279","0.0003","22.9944","0.0007","90","","101.425","0.001","90","","2865.77","0.15","170","2","170","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H26 N4 -","- C40 H26 N4 -","- C160 H104 N16 -","4","1","","Liu, Xiao-Jing; Gao, Guan-Lei; Jiang, Hao; Jia, Yan-Rong; Xia, Min","Deep insight into reasons for the mechanoluminescence phenomenon of triphenylamine-substituted imidazoles and their distinct mechano-fluorochromic behaviours","RSC Advances","2020","10","39","23187","23195","10.1039/D0RA02737E","","","0.71073","MoKα","","0.0526","0.0415","","","0.1001","0.1079","","","","","","1.02","","","","has coordinates","258028","2020-10-21","18:00:00",""
"7240752","13.2852","0.0005","9.7783","0.0003","18.6415","0.0006","90","","94.186","0.001","90","","2415.2","0.14","170","2","169.99","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 N4 -","- C32 H22 N4 -","- C128 H88 N16 -","4","1","","Liu, Xiao-Jing; Gao, Guan-Lei; Jiang, Hao; Jia, Yan-Rong; Xia, Min","Deep insight into reasons for the mechanoluminescence phenomenon of triphenylamine-substituted imidazoles and their distinct mechano-fluorochromic behaviours","RSC Advances","2020","10","39","23187","23195","10.1039/D0RA02737E","","","0.71073","MoKα","","0.047","0.0386","","","0.0934","0.0997","","","","","","1.031","","","","has coordinates","258028","2020-10-21","18:00:00",""
"7240753","10.4077","","7.7565","","27.7255","","90","","90","","90","","2238.21","","298","2","298","2","","","","","","","see text","6","P n a 21","P 2c -2n","33","Zn-ornidazole","","","- C14 H20 Cl4 N6 O6 Zn -","- C14 H20 Cl4 N6 O6 Zn -","- C56 H80 Cl16 N24 O24 Zn4 -","4","1","","Nandy, Promita; Singha, Soumen; Banyal, Neha; Kumar, Sanjay; Mukhopadhyay, Kasturi; Das, Saurabh","A ZnII complex of ornidazole with decreased nitro radical anions that is still highly active on Entamoeba histolytica","RSC Advances","2020","10","39","23286","23296","10.1039/D0RA02597F","powder diffraction","x-ray","1.54056","Cu-Kα1","","","","","","","","","","","","","","","","","has coordinates","258030","2020-10-21","18:00:00",""
"7240754","16.946","0.003","9.3354","0.0019","14.414","0.003","90","","120.28","0.03","90","","1969.2","0.9","153","2","153.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","dihydraine tetranitroethide","","- C2 H10 N8 O8 -","- C2 H10 N8 O8 -","- C16 H80 N64 O64 -","8","1","","Mei, Haozheng; Yang, Junqing; Cao, Wenli; Hu, Yong; He, Piao; Zhang, Jian-Guo","A new oxygen-rich energetic salt dihydrazine tetranitroethide: a promising explosive alternative with high density and good performance","RSC Advances","2020","10","39","23250","23253","10.1039/D0RA04167J","","","0.71073","MoKα","","0.0595","0.0511","","","0.1176","0.1236","","","","","","1.12","","","","has coordinates,has disorder","258031","2020-10-21","18:00:00",""
"7240756","15.6845","0.0013","18.3664","0.0015","21.3297","0.0012","90","","100.584","0.007","90","","6039.9","0.8","102.4","","102.4","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","crystal-10","","- C25.5 H31.5 N8.5 O10.5 Zn -","- C25.5 H31.5 N8.5 O10.5 Zn -","- C204 H252 N68 O84 Zn8 -","8","1","","Han, Aiying; Su, Hao; Xu, Guohong; Khan, Maroof Ahmad; Li, Hui","Synthesis, crystal structures, and luminescent properties of Zn(ii), Cd(ii), Eu(iii) complexes and detection of Fe(iii) ions based on a diacylhydrazone Schiff base","RSC Advances","2020","10","39","23372","23378","10.1039/D0RA03642K","","","0.71073","MoKα","","0.0853","0.057","","","0.1026","0.1149","","","","","","1.043","","","","has coordinates,has disorder","258032","2020-10-21","18:00:00",""
"7240757","12.091","0.002","12.459","0.003","17.13","0.003","90.42","0.03","104.13","0.03","95.41","0.03","2490","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","HAN 10","","- C39 H37 Cd2 N13 O21 -","- C39 H37 Cd2 N13 O20 -","- C78 H74 Cd4 N26 O40 -","2","1","","Han, Aiying; Su, Hao; Xu, Guohong; Khan, Maroof Ahmad; Li, Hui","Synthesis, crystal structures, and luminescent properties of Zn(ii), Cd(ii), Eu(iii) complexes and detection of Fe(iii) ions based on a diacylhydrazone Schiff base","RSC Advances","2020","10","39","23372","23378","10.1039/D0RA03642K","","","0.71073","MoKα","","0.071","0.0575","","","0.1631","0.175","","","","","","1.08","","","","has coordinates","258032","2020-10-21","18:00:00",""
"7240758","27.308","0.006","19.968","0.005","16.327","0.003","90","","90","","90","","8903","3","296","2","296.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","beautiful hen","","- C66 H69 Eu2 N18 O30 S6 -","- C66 H69 Eu2 N18 O30 S6 -","- C264 H276 Eu8 N72 O120 S24 -","4","0.5","","Han, Aiying; Su, Hao; Xu, Guohong; Khan, Maroof Ahmad; Li, Hui","Synthesis, crystal structures, and luminescent properties of Zn(ii), Cd(ii), Eu(iii) complexes and detection of Fe(iii) ions based on a diacylhydrazone Schiff base","RSC Advances","2020","10","39","23372","23378","10.1039/D0RA03642K","","","0.71073","MoKα","","0.1437","0.0728","","","0.1676","0.2027","","","","","","1.031","","","","has coordinates,has disorder","258032","2020-10-21","18:00:00",""
"7240760","11.5002","0.0007","11.7543","0.0008","14.3642","0.001","97.266","0.005","106.616","0.005","111.9","0.005","1666","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H33 N5 O4 -","- C37 H33 N5 O4 -","- C74 H66 N10 O8 -","2","1","","Arumugam, Natarajan; Almansour, Abdulrahman I.; Kumar, Raju Suresh; Mohammad Ali Al-Aizari, Abdul Jaleel; Alaqeel, Shatha Ibrahim; Kansız, Sevgi; Krishna, Vagolu Siva; Sriram, Dharmarajan; Dege, Necmi","Regio- and diastereoselective synthesis of spiropyrroloquinoxaline grafted indole heterocyclic hybrids and evaluation of their anti-Mycobacterium tuberculosis activity","RSC Advances","2020","10","40","23522","23531","10.1039/D0RA02525A","","","0.71073","MoKα","","0.1384","0.0698","","","0.1805","0.2179","","","","","","0.982","","","","has coordinates","258086","2020-10-21","18:00:00",""
"7240772","10.7418","0.0003","10.043","0.0002","14.6765","0.0004","90","","104.329","0.003","90","","1534.04","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N O5 P -","- C14 H20 N O5 P -","- C56 H80 N4 O20 P4 -","4","1","","Lenartowicz, Paweł; Witkowska, Danuta; Żyszka-Haberecht, Beata; Dziuk, Błażej; Ejsmont, Krzysztof; Świątek-Kozłowska, Jolanta; Kafarski, Paweł","A novel approach for obtaining α,β-diaminophosphonates bearing structurally diverse side chains and their interactions with transition metal ions studied by ITC","RSC Advances","2020","10","40","24045","24056","10.1039/D0RA03764H","","","0.71073","MoKα","","0.036","0.028","","","0.0754","0.0773","","","","","","1.07","","","","has coordinates","258085","2020-10-21","18:00:00",""
"7240773","9.9692","0.0003","17.6005","0.0005","10.3762","0.0003","90","","111.329","0.004","90","","1695.94","0.1","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H25 N2 O6 P -","- C13 H25 N2 O6 P -","- C52 H100 N8 O24 P4 -","4","1","","Lenartowicz, Paweł; Witkowska, Danuta; Żyszka-Haberecht, Beata; Dziuk, Błażej; Ejsmont, Krzysztof; Świątek-Kozłowska, Jolanta; Kafarski, Paweł","A novel approach for obtaining α,β-diaminophosphonates bearing structurally diverse side chains and their interactions with transition metal ions studied by ITC","RSC Advances","2020","10","40","24045","24056","10.1039/D0RA03764H","","","0.71073","MoKα","","0.0456","0.0308","","","0.0677","0.0708","","","","","","0.941","","","","has coordinates","258085","2020-10-21","18:00:00",""
"7240774","23.791","0.002","6.7169","0.0006","17.0032","0.0016","90","","103.374","0.004","90","","2643.5","0.4","90","0.2","90","0.2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C57 H58 Cl2 N4 O12 -","- C57 H58 Cl2 N4 O12 -","- C114 H116 Cl4 N8 O24 -","2","0.5","","George, Nathaniel; Ofori, Samuel; Parkin, Sean; Awuah, Samuel G.","Mild deprotection of the N-tert-butyloxycarbonyl (N-Boc) group using oxalyl chloride","RSC Advances","2020","10","40","24017","24026","10.1039/D0RA04110F","","","1.54178","CuKα","","0.0427","0.038","","","0.0975","0.1008","","","","","","1.033","","","","has coordinates,has disorder","258084","2020-10-21","18:00:00",""
"7240775","65.1891","0.0018","7.4274","0.0002","5.7999","0.0002","90","","90","","90","","2808.23","0.15","123","","123","","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C38 H28 O2 S3 -","- C38 H28 O2 S3 -","- C152 H112 O8 S12 -","4","0.5","","Matsuo, Takumi; Rössiger, Carina; Herr, Jasmin; Göttlich, Richard; Schlettwein, Derck; Mizuno, Hitoshi; Sasaki, Fumio; Yanagi, Hisao","Synthesis and characterization of methoxy- or cyano-substituted thiophene/phenylene co-oligomers for lasing application","RSC Advances","2020","10","40","24057","24062","10.1039/D0RA04742B","","","0.71075","MoKα","","0.0472","0.0429","","","0.1058","0.1077","","","","","","1.065","","","","has coordinates","258083","2020-10-21","18:00:00",""
"7240776","9.486","0.004","14.918","0.006","19.581","0.009","82.727","0.008","87.506","0.008","89.924","0.007","2746","2","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H22 N2 S3 -","- C38 H22 N2 S3 -","- C152 H88 N8 S12 -","4","2","","Matsuo, Takumi; Rössiger, Carina; Herr, Jasmin; Göttlich, Richard; Schlettwein, Derck; Mizuno, Hitoshi; Sasaki, Fumio; Yanagi, Hisao","Synthesis and characterization of methoxy- or cyano-substituted thiophene/phenylene co-oligomers for lasing application","RSC Advances","2020","10","40","24057","24062","10.1039/D0RA04742B","","","0.71075","MoKα","","0.207","0.0861","","","0.1615","0.2189","","","","","","0.925","","","","has coordinates","258083","2020-10-21","18:00:00",""
"7240781","10.61","0.0012","9.0183","0.001","23.47","0.003","90","","98.891","0.002","90","","2218.7","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N3 O3 -","- C27 H23 N3 O3 -","- C108 H92 N12 O12 -","4","1","","Wang, Zhan-Yong; Yang, Ting; Chen, Rongxiang; Ma, Xueji; Liu, Huan; Wang, Kai-Kai","1,3-Dipolar cycloaddition of isatin N,N′-cyclic azomethine imines with α,β-unsaturated aldehydes catalyzed by DBU in water","RSC Advances","2020","10","41","24288","24292","10.1039/D0RA03806G","","","0.71073","MoKα","","0.1209","0.0591","","","0.1131","0.1328","","","","","","0.959","","","","has coordinates","257996","2020-10-21","18:00:00",""
"7240782","31.47","0.02","8.542","0.006","16.198","0.012","90","","95.7","0.015","90","","4333","5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H23 N3 O3 -","- C27 H23 N3 O3 -","- C216 H184 N24 O24 -","8","1","","Wang, Zhan-Yong; Yang, Ting; Chen, Rongxiang; Ma, Xueji; Liu, Huan; Wang, Kai-Kai","1,3-Dipolar cycloaddition of isatin N,N′-cyclic azomethine imines with α,β-unsaturated aldehydes catalyzed by DBU in water","RSC Advances","2020","10","41","24288","24292","10.1039/D0RA03806G","","","0.71073","MoKα","","0.1305","0.0517","","","0.1073","0.1313","","","","","","0.951","","","","has coordinates","257996","2020-10-21","18:00:00",""
"7240783","16.469","0.002","8.1558","0.0008","16.897","0.002","90","","118.733","0.017","90","","1990.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 N4 Ni O2 -","- C42 H48 N4 Ni O2 -","- C84 H96 N8 Ni2 O4 -","2","0.5","","Nasibipour, Mina; Safaei, Elham; Masoumpour, Marziyeh Sadat; Wojtczak, Andrzej","Ancillary ligand electro-activity effects towards phenyl acetylene homocoupling reaction by a nickel(ii) complex of a non-innocent O-amino phenol ligand: a mechanistic insight","RSC Advances","2020","10","41","24176","24189","10.1039/D0RA04362A","","","0.71073","MoKα","","0.0742","0.0462","","","0.1037","0.1146","","","","","","0.977","","","","has coordinates","257994","2020-10-21","18:00:00",""
"7240784","11.1374","0.0006","11.874","0.0006","13.7441","0.0009","84.977","0.002","82.117","0.002","72.438","0.001","1714.45","0.17","296","1","296","1","","","","","","","separation","6","P -1","-P 1","2","3-sec-butyl-4-methyl-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-1,9(4H) –dione","3-sec-butyl-4-methyl-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-1,9(4H) –dione","","- C32 H37 Cl Mg N4 O6 -","- C32 H37 Cl Mg N4 O6 -","- C64 H74 Cl2 Mg2 N8 O12 -","2","1","","Zhu, Jin-xin; Lu, Yaojia; Chen, Jun; Chen, Jianwei; Zhang, Huawei; Bao, Xiaoze; Ye, Xinyi; Wang, Hong","Total synthesis of quinolactacin-H from marine-derived Penicillium sp. ENP701 and biological activities","RSC Advances","2020","10","41","24251","24254","10.1039/D0RA05244B","","","0.71073","MoKα","","0.1498","0.1216","","","0.2572","0.2686","","","","","","1.005","","","","has coordinates","295935","2024-11-15","13:55:43",""
"7240785","10.245","0.0012","12.4101","0.001","14.5367","0.0013","112.234","0.008","106.909","0.01","94.287","0.008","1600.8","0.3","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C70 H46 Eu2 F12 N8 O10 -","- C70 H46 Eu2 F12 N8 O10 -","- C70 H46 Eu2 F12 N8 O10 -","1","0.5","","Zhao, Yafeng; Xu, Yanhong; Xu, Bing; Cen, Peipei; Song, Weiming; Duan, Lijuan; Liu, Xiangyu","A dual-sensitized luminescent europium(iii) complex as a photoluminescent probe for selectively detecting Fe3+","RSC Advances","2020","10","41","24244","24250","10.1039/D0RA03821K","","","0.71073","MoKα","","0.0979","0.0714","","","0.1437","0.16","","","","","","1.011","","","","has coordinates","257995","2020-10-21","18:00:00",""
"7240795","8.9985","0.0002","11.8275","0.0003","17.5639","0.0003","90","","103.4","0.002","90","","1818.43","0.07","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H19 N5 O8 P2 -","- C11 H19 N5 O8 P2 -","- C44 H76 N20 O32 P8 -","4","1","","Olyshevets, Iryna; Ovchynnikov, Vladimir; Kariaka, Nataliia; Dyakonenko, Viktoriya; Shishkina, Svitlana; Sliva, Tatiana; Ostrowska, Małgorzata; Jedyńczuk, Aleksandra; Gumienna-Kontecka, Elżbieta; Amirkhanov, Vladimir","Lanthanide complexes based on a new bis-chelating carbacylamidophosphate (CAPh) scorpionate-like ligand","RSC Advances","2020","10","42","24808","24816","10.1039/D0RA04714G","","","0.71073","MoKα","","0.071","0.0498","","","0.1299","0.1378","","","","","","1.07","","","","has coordinates,has disorder","258025","2020-10-21","18:00:00",""
"7240796","13.3844","0.0006","17.2947","0.0006","19.5123","0.0008","90","","106.525","0.005","90","","4330.1","0.3","294","","294","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H44 Eu N11 O20 P4 -","- C25 H44 Eu N11 O20 P4 -","- C100 H176 Eu4 N44 O80 P16 -","4","1","","Olyshevets, Iryna; Ovchynnikov, Vladimir; Kariaka, Nataliia; Dyakonenko, Viktoriya; Shishkina, Svitlana; Sliva, Tatiana; Ostrowska, Małgorzata; Jedyńczuk, Aleksandra; Gumienna-Kontecka, Elżbieta; Amirkhanov, Vladimir","Lanthanide complexes based on a new bis-chelating carbacylamidophosphate (CAPh) scorpionate-like ligand","RSC Advances","2020","10","42","24808","24816","10.1039/D0RA04714G","","x-ray","0.71073","MoKα","","0.0861","0.0591","","","0.1413","0.1622","","","","","","1.031","","","","has coordinates","258025","2020-10-21","18:00:00",""
"7240797","13.134","0.002","17.152","0.002","19.453","0.003","90","","107.506","0.019","90","","4179.3","1.1","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H44 N11 O20 P4 Tb -","- C25 H44 N11 O20 P4 Tb -","- C100 H176 N44 O80 P16 Tb4 -","4","1","","Olyshevets, Iryna; Ovchynnikov, Vladimir; Kariaka, Nataliia; Dyakonenko, Viktoriya; Shishkina, Svitlana; Sliva, Tatiana; Ostrowska, Małgorzata; Jedyńczuk, Aleksandra; Gumienna-Kontecka, Elżbieta; Amirkhanov, Vladimir","Lanthanide complexes based on a new bis-chelating carbacylamidophosphate (CAPh) scorpionate-like ligand","RSC Advances","2020","10","42","24808","24816","10.1039/D0RA04714G","","x-ray","0.71073","MoKα","","0.1448","0.079","","","0.1684","0.2067","","","","","","0.983","","","","has coordinates,has disorder","258025","2020-10-21","18:00:00",""
"7240798","13.74","0.002","17.912","0.003","9.9299","0.0015","90","","108.507","0.016","90","","2317.5","0.7","294","","294","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H26 N5 Na O9 P2 -","- C14 H26 N5 Na O9 P2 -","- C56 H104 N20 Na4 O36 P8 -","4","1","","Olyshevets, Iryna; Ovchynnikov, Vladimir; Kariaka, Nataliia; Dyakonenko, Viktoriya; Shishkina, Svitlana; Sliva, Tatiana; Ostrowska, Małgorzata; Jedyńczuk, Aleksandra; Gumienna-Kontecka, Elżbieta; Amirkhanov, Vladimir","Lanthanide complexes based on a new bis-chelating carbacylamidophosphate (CAPh) scorpionate-like ligand","RSC Advances","2020","10","42","24808","24816","10.1039/D0RA04714G","","x-ray","0.71073","MoKα","","0.2012","0.0964","","","0.1778","0.2182","","","","","","1.027","","","","has coordinates","258025","2020-10-21","18:00:00",""
"7240808","6.8488","0.0011","11.665","0.002","15.489","0.002","90","","95.319","0.014","90","","1232.1","0.3","123","","123","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C12 H8 F8 O2 -","- C12 H8 F8 O2 -","- C48 H32 F32 O8 -","4","0.5","","Cui, Luxia; Ono, Toshikazu; Hossain, Md. Jakir; Hisaeda, Yoshio","Electrochemically driven, cobalt‒carbon bond-mediated direct intramolecular cyclic and acyclic perfluoroalkylation of (hetero)arenes using X(CF2)4X","RSC Advances","2020","10","42","24862","24866","10.1039/D0RA05295G","","x-ray","0.71073","MoKα","","0.0912","0.0526","","","0.132","0.1383","","","","","","0.84","","","","has coordinates","258027","2020-10-21","18:00:00",""
"7240809","17.003","0.003","7.634","0.001","19.904","0.003","90","","98.327","0.013","90","","2556.3","0.7","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 F8 O S -","- C12 H8 F8 O S -","- C96 H64 F64 O8 S8 -","8","2","","Cui, Luxia; Ono, Toshikazu; Hossain, Md. Jakir; Hisaeda, Yoshio","Electrochemically driven, cobalt‒carbon bond-mediated direct intramolecular cyclic and acyclic perfluoroalkylation of (hetero)arenes using X(CF2)4X","RSC Advances","2020","10","42","24862","24866","10.1039/D0RA05295G","","x-ray","0.71073","MoKα","","0.1661","0.0748","","","0.184","0.244","","","","","","0.951","","","","has coordinates","258027","2020-10-21","18:00:00",""
"7240810","13.1069","0.0009","6.8506","0.0006","13.7875","0.0012","90","","90","","90","","1237.98","0.17","123","","123","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C13 H7 F8 N -","- C13 H7 F8 N -","- C52 H28 F32 N4 -","4","0.5","","Cui, Luxia; Ono, Toshikazu; Hossain, Md. Jakir; Hisaeda, Yoshio","Electrochemically driven, cobalt‒carbon bond-mediated direct intramolecular cyclic and acyclic perfluoroalkylation of (hetero)arenes using X(CF2)4X","RSC Advances","2020","10","42","24862","24866","10.1039/D0RA05295G","","x-ray","0.71073","MoKα","","0.0426","0.0313","","","0.084","0.0924","","","","","","1.054","","","","has coordinates,has disorder","258027","2020-10-21","18:00:00",""
"7240811","9.7335","0.0007","19.26","0.002","15.5646","0.0018","90","","94.317","0.008","90","","2909.6","0.5","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 F8 O2 -","- C14 H12 F8 O2 -","- C112 H96 F64 O16 -","8","2","","Cui, Luxia; Ono, Toshikazu; Hossain, Md. Jakir; Hisaeda, Yoshio","Electrochemically driven, cobalt‒carbon bond-mediated direct intramolecular cyclic and acyclic perfluoroalkylation of (hetero)arenes using X(CF2)4X","RSC Advances","2020","10","42","24862","24866","10.1039/D0RA05295G","","x-ray","0.71073","MoKα","","0.1008","0.0611","","","0.1519","0.1851","","","","","","1.041","","","","has coordinates","258027","2020-10-21","18:00:00",""
"7240812","7.6","","17.754","","11.242","","90","","91.42","","90","","1516.42","","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H11 Br N2 O3 -","- C18 H11 Br N2 O3 -","- C72 H44 Br4 N8 O12 -","4","1","","Li, Jian; Zhu, Shang-Rong; Xu, Yue; Lu, Xue-Chen; Wang, Zheng-Bing; Liu, Li; Xu, De-feng","Synthesis of 2,5-diaryloxazoles through rhodium-catalyzed annulation of triazoles and aldehydes","RSC Advances","2020","10","42","24795","24799","10.1039/D0RA03966G","","","1.34138","GaKα","","0.0596","0.0552","","","0.1566","0.1622","","","","","","1.084","","","","has coordinates","258026","2020-10-21","18:00:00",""
"7240834","7.2212","0.0002","10.9597","0.0003","13.4202","0.0003","104.412","0.002","99.253","0.002","108.517","0.002","941.58","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 F3 N5 O4 -","- C19 H18 F3 N5 O4 -","- C38 H36 F6 N10 O8 -","2","1","","Junaid, Ahmad; Lim, Felicia Phei Lin; Tiekink, Edward R. T.; Dolzhenko, Anton V.","Design, synthesis, and biological evaluation of new 6,N2-diaryl-1,3,5-triazine-2,4-diamines as anticancer agents selectively targeting triple negative breast cancer cells","RSC Advances","2020","10","43","25517","25528","10.1039/D0RA04970K","","","1.54184","CuKα","","0.0629","0.0591","","","0.1719","0.1764","","","","","","1.049","","","","has coordinates","258019","2020-10-21","18:00:00",""
"7240840","8.6898","0.001","11.1725","0.0011","12.0639","0.0013","76.082","0.004","73.273","0.004","77.314","0.004","1074.4","0.2","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 F5 N2 O -","- C25 H21 F5 N2 O -","- C50 H42 F10 N4 O2 -","2","1","","Bao, Kun; Wei, Jun; Yan, Huihui; Sheng, Rong","Visible-light promoted three-component tandem reaction to synthesize difluoromethylated oxazolidin-2-imine","RSC Advances","2020","10","43","25947","25951","10.1039/D0RA04729E","","","0.71073","MoKα","","0.0821","0.0663","","","0.1787","0.1915","","","","","","1.073","","","","has coordinates","258018","2020-10-21","18:00:00",""
"7240841","7.1583","0.0014","8.352","0.0017","15.356","0.003","81.1","0.03","82.92","0.03","78.62","0.03","885.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 Cl2 N3 O6 -","- C17 H15 Cl2 N3 O6 -","- C34 H30 Cl4 N6 O12 -","2","1","","Lemport, Pavel S.; Matveev, Petr I.; Yatsenko, Alexander V.; Evsiunina, Mariia V.; Petrov, Valentine S.; Tarasevich, Boris N.; Roznyatovsky, Vitaly A.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.; Zhokhov, Sergey S.; Solov'ev, Vitaly P.; Aslanov, Leonid A.; Petrov, Vladimir G.; Kalmykov, Stepan N.; Nenajdenko, Valentine G.; Ustyniuk, Yuri A.","The impact of alicyclic substituents on the extraction ability of new family of 1,10-phenanthroline-2,9-diamides","RSC Advances","2020","10","44","26022","26033","10.1039/D0RA05182A","","","0.7879","synchrotron","","0.0335","0.0313","","","0.0871","0.0888","","","","","","1.073","","","","has coordinates","257978","2020-10-21","18:00:00",""
"7240842","7.7488","0.0003","10.1002","0.0004","13.578","0.0005","79.974","0.003","76.276","0.003","83.821","0.003","1014.12","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1,10-phenantroline-4,7-dichloro-2,9-diylbis(pirrolidin-1-yl-methanone)","","- C22 H20 Cl2 N4 O2 -","- C22 H20 Cl2 N4 O2 -","- C44 H40 Cl4 N8 O4 -","2","1","","Lemport, Pavel S.; Matveev, Petr I.; Yatsenko, Alexander V.; Evsiunina, Mariia V.; Petrov, Valentine S.; Tarasevich, Boris N.; Roznyatovsky, Vitaly A.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.; Zhokhov, Sergey S.; Solov'ev, Vitaly P.; Aslanov, Leonid A.; Petrov, Vladimir G.; Kalmykov, Stepan N.; Nenajdenko, Valentine G.; Ustyniuk, Yuri A.","The impact of alicyclic substituents on the extraction ability of new family of 1,10-phenanthroline-2,9-diamides","RSC Advances","2020","10","44","26022","26033","10.1039/D0RA05182A","","","1.54186","CuKα","","0.0603","0.0432","","","0.1222","0.1295","","","","","","1.025","","","","has coordinates,has disorder","257978","2020-10-21","18:00:00",""
"7240843","36.3267","0.0015","6.8415","0.0002","22.188","0.0011","90","","122.928","0.003","90","","4628.5","0.4","292","2","292","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,10-phenantroline-4,7-dichloro-2,9-diylbis(piperidin-1-yl-methanone)","","- C24 H26 Cl2 N4 O3 -","- C24 H24 Cl2 N4 O3 -","- C192 H192 Cl16 N32 O24 -","8","1","","Lemport, Pavel S.; Matveev, Petr I.; Yatsenko, Alexander V.; Evsiunina, Mariia V.; Petrov, Valentine S.; Tarasevich, Boris N.; Roznyatovsky, Vitaly A.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.; Zhokhov, Sergey S.; Solov'ev, Vitaly P.; Aslanov, Leonid A.; Petrov, Vladimir G.; Kalmykov, Stepan N.; Nenajdenko, Valentine G.; Ustyniuk, Yuri A.","The impact of alicyclic substituents on the extraction ability of new family of 1,10-phenanthroline-2,9-diamides","RSC Advances","2020","10","44","26022","26033","10.1039/D0RA05182A","","","1.54186","CuKα","","0.0992","0.0362","","","0.0591","0.0721","","","","","","0.846","","","","has coordinates","257978","2020-10-21","18:00:00",""
"7240844","7.241","0.0014","11.68","0.002","14.506","0.003","103.259","0.014","95.03","0.002","97.662","0.018","1174.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H20 Cl2 N4 O2 -","- C30 H20 Cl2 N4 O2 -","- C60 H40 Cl4 N8 O4 -","2","1","","Lemport, Pavel S.; Matveev, Petr I.; Yatsenko, Alexander V.; Evsiunina, Mariia V.; Petrov, Valentine S.; Tarasevich, Boris N.; Roznyatovsky, Vitaly A.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.; Zhokhov, Sergey S.; Solov'ev, Vitaly P.; Aslanov, Leonid A.; Petrov, Vladimir G.; Kalmykov, Stepan N.; Nenajdenko, Valentine G.; Ustyniuk, Yuri A.","The impact of alicyclic substituents on the extraction ability of new family of 1,10-phenanthroline-2,9-diamides","RSC Advances","2020","10","44","26022","26033","10.1039/D0RA05182A","","","0.79272","synchrotron","","0.0796","0.0593","","","0.14","0.1531","","","","","","1.021","","","","has coordinates","257978","2020-10-21","18:00:00",""
"7240894","7.361","0.0012","16.841","0.001","19.166","0.0015","90","","90","","90","","2375.9","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H29 Cl2 N7 O P2 Ru -","- C18 H29 Cl2 N7 O P2 Ru -","- C72 H116 Cl8 N28 O4 P8 Ru4 -","4","1","","Battistin, Federica; Vidal, Alessio; Balducci, Gabriele; Alessio, Enzo","Investigating the reactivity of neutral water-soluble Ru(ii)‒PTA carbonyls towards the model imine ligands pyridine and 2,2′-bipyridine","RSC Advances","2020","10","45","26717","26727","10.1039/D0RA05898J","","","0.7","synchrotron","","0.0378","0.0376","","","0.1114","0.1115","","","","","","1.034","","","","has coordinates,has disorder","258128","2020-10-21","18:00:00",""
"7240895","6.799","0.01","21.768","0.005","13.521","0.003","90","","94.767","0.019","90","","1994","3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 Cl2 N5 O2 P Ru -","- C17 H22 Cl2 N5 O2 P Ru -","- C68 H88 Cl8 N20 O8 P4 Ru4 -","4","1","","Battistin, Federica; Vidal, Alessio; Balducci, Gabriele; Alessio, Enzo","Investigating the reactivity of neutral water-soluble Ru(ii)‒PTA carbonyls towards the model imine ligands pyridine and 2,2′-bipyridine","RSC Advances","2020","10","45","26717","26727","10.1039/D0RA05898J","","","0.7","synchrotron","","0.0279","0.0278","","","0.0805","0.0807","","","","","","1.007","","","","has coordinates","258128","2020-10-21","18:00:00",""
"7240896","12.784","0.005","13.566","0.0012","23.229","0.003","90","","103.121","0.005","90","","3923.4","1.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H58 Cl2 N11 O8 P3 Ru -","- C29 H58 Cl2 N11 O8 P3 Ru -","- C116 H232 Cl8 N44 O32 P12 Ru4 -","4","1","","Battistin, Federica; Vidal, Alessio; Balducci, Gabriele; Alessio, Enzo","Investigating the reactivity of neutral water-soluble Ru(ii)‒PTA carbonyls towards the model imine ligands pyridine and 2,2′-bipyridine","RSC Advances","2020","10","45","26717","26727","10.1039/D0RA05898J","","","0.7","synchrotron","","0.0243","0.0242","","","0.0701","0.0702","","","","","","0.967","","","","has coordinates","258128","2020-10-21","18:00:00",""
"7240955","10.1647","0.0003","37.679","0.0009","10.9281","0.0003","90","","91.586","0.002","90","","4183.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H28 F9 N2 O6 Yb -","- C43 H28 F9 N2 O6 Yb -","- C172 H112 F36 N8 O24 Yb4 -","4","1","","Brito-Santos, Gabriela; Gil-Hernández, Beatriz; Martín, Inocencio R.; Guerrero-Lemus, Ricardo; Sanchiz, Joaquín","Visible and NIR emitting Yb(iii) and Er(iii) complexes sensitized by β-diketonates and phenanthroline derivatives","RSC Advances","2020","10","46","27815","27823","10.1039/D0RA05539E","","","1.54184","CuKα","","0.0676","0.06","","","0.1247","0.129","","","","","","1.146","","","","has coordinates","258067","2020-10-21","18:00:00",""
"7240956","21.3482","0.0003","10.96337","0.00012","18.2233","0.0002","90","","90","","90","","4265.13","0.09","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H26 F9 N4 O6 Yb -","- C44 H26 F9 N4 O6 Yb -","- C176 H104 F36 N16 O24 Yb4 -","4","1","","Brito-Santos, Gabriela; Gil-Hernández, Beatriz; Martín, Inocencio R.; Guerrero-Lemus, Ricardo; Sanchiz, Joaquín","Visible and NIR emitting Yb(iii) and Er(iii) complexes sensitized by β-diketonates and phenanthroline derivatives","RSC Advances","2020","10","46","27815","27823","10.1039/D0RA05539E","","","1.54184","CuKα","","0.0332","0.0329","","","0.0925","0.093","","","","","","1.051","","","","has coordinates","258067","2020-10-21","18:00:00",""
"7240957","21.078","0.0003","18.3155","0.0002","21.2034","0.0002","90","","90","","90","","8185.66","0.17","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H20 Er F9 N4 O6 S3 -","- C38 H20 Er F9 N4 O6 S3 -","- C304 H160 Er8 F72 N32 O48 S24 -","8","1","","Brito-Santos, Gabriela; Gil-Hernández, Beatriz; Martín, Inocencio R.; Guerrero-Lemus, Ricardo; Sanchiz, Joaquín","Visible and NIR emitting Yb(iii) and Er(iii) complexes sensitized by β-diketonates and phenanthroline derivatives","RSC Advances","2020","10","46","27815","27823","10.1039/D0RA05539E","","","0.71073","MoKα","","0.0593","0.0404","","","0.1026","0.1191","","","","","","1.034","","","","has coordinates,has disorder","258067","2020-10-21","18:00:00",""
"7240964","7.0148","0.0014","17.582","0.004","14.402","0.003","90","","90","","90","","1776.3","0.7","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H18 N2 O3 S -","- C20 H18 N2 O3 S -","- C80 H72 N8 O12 S4 -","4","1","","Bhattacharjee, Suvam; Laru, Sudip; Samanta, Sadhanendu; Singsardar, Mukta; Hajra, Alakananda","Visible light-induced photocatalytic C‒H ethoxycarbonylmethylation of imidazoheterocycles with ethyl diazoacetate","RSC Advances","2020","10","47","27984","27988","10.1039/D0RA05795A","","","0.71073","MoKα","","0.0627","0.0416","","","0.1147","0.1402","","","","","","0.856","","","","has coordinates","258073","2020-10-21","18:00:00",""
"7240976","7.7136","0.0004","8.6961","0.0005","9.1169","0.0005","68.073","0.005","79.306","0.004","64.143","0.005","510.32","0.06","150","0.1","150","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C10 H12 O7 -","- C10 H12 O7 -","- C20 H24 O14 -","2","1","","Yan, Zhangyuan; Li, Jialin; Ye, Geting; Chen, Tao; Li, Meimei; Liang, Yanmin; Long, Yuhua","Fused multicyclic polyketides with a two-spiro-carbon skeleton from mangrove-derived endophytic fungus Epicoccum nigrum SCNU-F0002","RSC Advances","2020","10","48","28560","28566","10.1039/D0RA05532H","","x-ray","1.54184","CuKα","","0.0483","0.0463","","","0.1338","0.1371","","","","","","1.037","","","","has coordinates","258082","2020-10-21","18:00:00",""
"7241003","10.768","0.002","10.433","0.002","14.8","0.003","90","","103.502","0.003","90","","1616.7","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 Cl N2 O2 S -","- C17 H15 Cl N2 O2 S -","- C68 H60 Cl4 N8 O8 S4 -","4","1","","Wang, Kai-Kai; Xie, Yan-Xin; Li, Yan-Li; Chen, Rongxiang; Wang, Zhan-Yong","Dearomative [3 + 2] cycloaddition reaction of nitrobenzothiophenes with nonstabilized azomethine ylides","RSC Advances","2020","10","48","28720","28724","10.1039/D0RA05687A","","","0.71073","MoKα","","0.051","0.0393","","","0.1041","0.1106","","","","","","1.022","","","","has coordinates","258079","2020-10-21","18:00:00",""
"7241004","12.244","0.005","15.559","0.005","13.831","0.005","90","","113.152","0.005","90","","2422.7","1.5","293","","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 N4 O Se2 -","- C22 H26 N4 Se2 -","- C88 H104 N16 Se8 -","4","1","","Maruthupandi, Mannarsamy; Prabusankar, Ganesan","Catalytically active coordination polymer with a tiny Zn2Se2 ring bridged by bis-selone","RSC Advances","2020","10","48","28950","28957","10.1039/D0RA04577B","","","0.71073","MoKα","","0.123","0.0581","","","0.142","0.1898","","","","","","1.0311","","","","has coordinates","258080","2020-10-21","18:00:00",""
"7241005","17.2917","0.0005","9.421","0.0004","16.2331","0.0005","90","","93.499","0.003","90","","2639.53","0.16","120.01","0.1","120.01","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C22 H26 Br2 N4 O0.31 Se1.69 Zn -","- C22 H26 Br2 N4 O0.31 Se1.69 Zn -","- C88 H104 Br8 N16 O1.24 Se6.76 Zn4 -","4","0.5","","Maruthupandi, Mannarsamy; Prabusankar, Ganesan","Catalytically active coordination polymer with a tiny Zn2Se2 ring bridged by bis-selone","RSC Advances","2020","10","48","28950","28957","10.1039/D0RA04577B","","","0.71073","MoKα","","0.0411","0.0328","","","0.0629","0.0647","","","","","","1.145","","","","has coordinates,has disorder","258080","2020-10-21","18:00:00",""
"7241010","9.344","0.0005","12.1505","0.0005","12.603","0.0005","82.8769","0.0014","69.9436","0.001","86.0352","0.0014","1333.18","0.1","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H27 N O -","- C37 H27 N O -","- C74 H54 N2 O2 -","2","1","","Liang, Chunshuang","Organic polymorphs based on an AEE-active tetraphenylethene salicylaldehyde Schiff-base derivative: the effect of molecular conformation on luminescence properties","RSC Advances","2020","10","48","29043","29050","10.1039/D0RA00118J","","","0.71073","MoKα","","0.0525","0.0437","","","0.1167","0.1241","","","","","","1.067","","","","has coordinates","258081","2020-10-21","18:00:00",""
"7241011","7.1407","0.0006","10.651","0.0008","19.6362","0.0017","74.506","0.003","87.202","0.003","72.731","0.003","1373.5","0.2","299","2","299","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H27 N O -","- C37 H27 N O -","- C74 H54 N2 O2 -","2","1","","Liang, Chunshuang","Organic polymorphs based on an AEE-active tetraphenylethene salicylaldehyde Schiff-base derivative: the effect of molecular conformation on luminescence properties","RSC Advances","2020","10","48","29043","29050","10.1039/D0RA00118J","","","0.71073","MoKα","","0.118","0.0515","","","0.1222","0.1601","","","","","","1.009","","","","has coordinates","258081","2020-10-21","18:00:00",""
"7241012","12.10003","0.00014","12.07847","0.00016","26.6169","0.0003","90","","94.3409","0.001","90","","3878.9","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 N O -","- C26 H17 N O -","- C208 H136 N8 O8 -","8","2","","Jia, Qianfa; Lan, Yunfei; Ye, Xin; Lin, Yinhe; Ren, Qiao","Direct access to multi-functionalized benzenes via [4 + 2] annulation of α-cyano-β-methylenones and α,β-unsaturated aldehydes","RSC Advances","2020","10","49","29171","29174","10.1039/D0RA05251E","","","1.54184","CuKα","","0.0643","0.0611","","","0.1669","0.1699","","","","","","1.058","","","","has coordinates","258122","2020-10-21","18:00:00",""
"7241013","10.491","0.0007","14.8834","0.001","15.4659","0.001","115.059","0.005","90.642","0.005","94.524","0.006","2178.1","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H136 Co2 N8 O12 S4 Si4 -","- C60 H136 Co2 N8 O12 S4 Si4 -","- C60 H136 Co2 N8 O12 S4 Si4 -","1","0.5","","Kowalkowska-Zedler, Daria; Nedelko, Natalia; Kazimierczuk, Katarzyna; Aleshkevych, Pavlo; Łyszczek, Renata; Ślawska-Waniewska, Anna; Pladzyk, Agnieszka","Novel tetrahedral cobalt(ii) silanethiolates: structures and magnetism","RSC Advances","2020","10","49","29100","29108","10.1039/D0RA06036D","","x-ray","0.71073","MoKα","","0.1025","0.0558","","","0.1428","0.2017","","","","","","1.048","","","","has coordinates","258124","2020-10-21","18:00:00",""
"7241014","16.32","0.004","9.3357","0.0017","28.884","0.008","90","","94.68","0.02","90","","4386.1","1.8","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H70 Co N4 O6 S2 Si2 -","- C34 H70 Co N4 O6 S2 Si2 -","- C136 H280 Co4 N16 O24 S8 Si8 -","4","0.5","","Kowalkowska-Zedler, Daria; Nedelko, Natalia; Kazimierczuk, Katarzyna; Aleshkevych, Pavlo; Łyszczek, Renata; Ślawska-Waniewska, Anna; Pladzyk, Agnieszka","Novel tetrahedral cobalt(ii) silanethiolates: structures and magnetism","RSC Advances","2020","10","49","29100","29108","10.1039/D0RA06036D","","x-ray","0.71073","MoKα","","0.0967","0.0781","","","0.2245","0.2378","","","","","","1.118","","","","has coordinates","258124","2020-10-21","18:00:00",""
"7241015","33.4655","0.0011","10.0373","0.0002","27.9753","0.0008","90","","107.496","0.003","90","","8962.3","0.5","120","2","120","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C34 H76 Co N2 O6 S2 Si2 -","- C34 H76 Co N2 O6 S2 Si2 -","- C272 H608 Co8 N16 O48 S16 Si16 -","8","1","","Kowalkowska-Zedler, Daria; Nedelko, Natalia; Kazimierczuk, Katarzyna; Aleshkevych, Pavlo; Łyszczek, Renata; Ślawska-Waniewska, Anna; Pladzyk, Agnieszka","Novel tetrahedral cobalt(ii) silanethiolates: structures and magnetism","RSC Advances","2020","10","49","29100","29108","10.1039/D0RA06036D","","x-ray","0.71073","MoKα","","0.0284","0.0258","","","0.0659","0.0685","","","","","","1.06","","","","has coordinates","258124","2020-10-21","18:00:00",""
"7241045","9.6293","0.0003","11.7366","0.0004","13.3435","0.0004","95.882","0.002","92.369","0.002","91.115","0.002","1498.37","0.08","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H58 Mn2 N6 -","- C24 H58 Mn2 N6 -","- C48 H116 Mn4 N12 -","2","1","","Lee, Sunju; Lee, Ga Yeon; Kim, Chang Gyoun; Chung, Taek-Mo; Park, Bo Keun","Heteroleptic manganese compounds as potential precursors for manganese based thin films and nanomaterials","RSC Advances","2020","10","50","29659","29667","10.1039/D0RA05225F","","","0.71073","MoKα","","0.0525","0.0492","","","0.1264","0.1286","","","","","","1.063","","","","has coordinates","258071","2020-10-21","18:00:00",""
"7241046","12.7642","0.0005","21.0617","0.0009","17.1722","0.0008","90","","90.417","0.002","90","","4616.4","0.3","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H76 Mn2 N2 O9 -","- C40 H76 Mn2 N2 O9 -","- C160 H304 Mn8 N8 O36 -","4","1","","Lee, Sunju; Lee, Ga Yeon; Kim, Chang Gyoun; Chung, Taek-Mo; Park, Bo Keun","Heteroleptic manganese compounds as potential precursors for manganese based thin films and nanomaterials","RSC Advances","2020","10","50","29659","29667","10.1039/D0RA05225F","","","0.71073","MoKα","","0.1058","0.0951","","","0.2545","0.2593","","","","","","1.091","","","","has coordinates","258071","2020-10-21","18:00:00",""
"7241047","10.3578","0.0003","18.3221","0.0005","11.8508","0.0003","90","","111.785","0.001","90","","2088.39","0.1","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H70 Cl2 Mn2 N4 O4 -","- C34 H70 Cl2 Mn2 N4 O4 -","- C68 H140 Cl4 Mn4 N8 O8 -","2","0.5","","Lee, Sunju; Lee, Ga Yeon; Kim, Chang Gyoun; Chung, Taek-Mo; Park, Bo Keun","Heteroleptic manganese compounds as potential precursors for manganese based thin films and nanomaterials","RSC Advances","2020","10","50","29659","29667","10.1039/D0RA05225F","","","0.71073","MoKα","","0.0304","0.0253","","","0.0605","0.0635","","","","","","1.08","","","","has coordinates","258071","2020-10-21","18:00:00",""
"7241048","10.1761","0.0004","9.1185","0.0004","21.7996","0.0009","90","","93.97","0.002","90","","2017.95","0.15","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H68 Mn2 N2 O6 -","- C34 H68 Mn2 N2 O6 -","- C68 H136 Mn4 N4 O12 -","2","0.5","","Lee, Sunju; Lee, Ga Yeon; Kim, Chang Gyoun; Chung, Taek-Mo; Park, Bo Keun","Heteroleptic manganese compounds as potential precursors for manganese based thin films and nanomaterials","RSC Advances","2020","10","50","29659","29667","10.1039/D0RA05225F","","","0.71073","MoKα","","0.0576","0.0479","","","0.1392","0.1483","","","","","","1.052","","","","has coordinates,has disorder","258071","2020-10-21","18:00:00",""
"7241052","13.23734","0.00018","7.41493","0.0001","18.8284","0.0002","90","","92.6332","0.0012","90","","1846.13","0.04","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H7 Fe2 N O8 S2 -","- C16 H7 Fe2 N O8 S2 -","- C64 H28 Fe8 N4 O32 S8 -","4","1","","Aguado, Sergio; Casarrubios, Luis; Ramírez de Arellano, Carmen; Sierra, Miguel A.","Revisiting the photochemical synthesis of [FeFe]-hydrogenase mimics: reaction optimization, mechanistic study and electrochemical behaviour","RSC Advances","2020","10","50","29855","29867","10.1039/D0RA06002J","","","0.71073","MoKα","","0.0354","0.027","","","0.0573","0.061","","","","","","1.028","","","","has coordinates","258070","2020-10-21","18:00:00",""
"7241053","4.7905","0.0003","10.1855","0.0007","11.2559","0.0009","78.836","0.001","80.287","0.002","80.584","0.002","526.21","0.06","170","2","170","2","","","","","","","","5","P -1","-P 1","2","Isoquinoline+Trifluoroacetate","1","","- C11 H8 F3 N O2 -","- C11 H8 F3 N O2 -","- C22 H16 F6 N2 O4 -","2","1","","Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari","Fluorescence enhancement of quinolines by protonation","RSC Advances","2020","10","49","29385","29393","10.1039/D0RA04691D","","","0.71073","MoKα","","0.1334","0.0721","","","0.1429","0.1688","","","","","","1.019","","","","has coordinates","258123","2020-10-21","18:00:00",""
"7241054","7.8573","0.0009","11.828","0.0015","16.5782","0.0019","90","","96.242","0.003","90","","1531.6","0.3","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Isoquinoline+Benzenesulfonate","3","","- C15 H13 N O3 S -","- C15 H13 N O3 S -","- C60 H52 N4 O12 S4 -","4","1","","Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari","Fluorescence enhancement of quinolines by protonation","RSC Advances","2020","10","49","29385","29393","10.1039/D0RA04691D","","","0.71073","MoKα","","0.1027","0.0824","","","0.1976","0.2104","","","","","","1.072","","","","has coordinates","258123","2020-10-21","18:00:00",""
"7241055","6.3247","0.0002","7.9047","0.0004","10.1134","0.0005","103.479","0.002","96.829","0.003","95.388","0.003","484.31","0.04","170","2","170","2","","","","","","","","5","P -1","-P 1","2","Acridine+Dibromoacetate","8","","- C17 H13 Br4 N O4 -","- C17 H13 Br4 N O4 -","- C17 H13 Br4 N O4 -","1","0.5","","Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari","Fluorescence enhancement of quinolines by protonation","RSC Advances","2020","10","49","29385","29393","10.1039/D0RA04691D","","","0.71073","MoKα","","0.0521","0.0407","","","0.0904","0.0955","","","","","","1.031","","","","has coordinates,has disorder","258123","2020-10-21","18:00:00",""
"7241056","6.0822","0.0003","7.8975","0.0004","9.9912","0.0019","104.058","0.003","96.799","0.002","95.159","0.003","458.75","0.09","170","2","170","2","","","","","","","","5","P -1","-P 1","2","Acridine+Dichloroacetate","7","","- C17 H13 Cl4 N O4 -","- C17 H13 Cl4 N O4 -","- C17 H13 Cl4 N O4 -","1","0.5","","Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari","Fluorescence enhancement of quinolines by protonation","RSC Advances","2020","10","49","29385","29393","10.1039/D0RA04691D","","","0.71073","MoKα","","0.0519","0.0457","","","0.1186","0.1209","","","","","","1.013","","","","has coordinates,has disorder","258123","2020-10-21","18:00:00",""
"7241057","7.2478","0.0004","8.8083","0.0003","11.5321","0.0006","69.55","0.001","73.313","0.002","67.418","0.001","626.9","0.05","170","2","170","2","","","","","","","","5","P -1","-P 1","2","Acridine+Chloroacetate","9","","- C15 H12 Cl N O2 -","- C15 H12 Cl N O2 -","- C30 H24 Cl2 N2 O4 -","2","1","","Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari","Fluorescence enhancement of quinolines by protonation","RSC Advances","2020","10","49","29385","29393","10.1039/D0RA04691D","","","0.71073","MoKα","","0.0699","0.0503","","","0.116","0.1265","","","","","","1.023","","","","has coordinates","258123","2020-10-21","18:00:00",""
"7241058","7.4888","0.0002","12.3779","0.0004","19.0995","0.0007","90","","97.448","0.002","90","","1755.5","0.1","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Benzoquinoline+Benzenesulfonate","12","","- C19 H15 N O3 S -","- C19 H15 N O3 S -","- C76 H60 N4 O12 S4 -","4","1","","Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari","Fluorescence enhancement of quinolines by protonation","RSC Advances","2020","10","49","29385","29393","10.1039/D0RA04691D","","","0.71073","MoKα","","0.087","0.0582","","","0.1415","0.1594","","","","","","1.025","","","","has coordinates","258123","2020-10-21","18:00:00",""
"7241059","6.8497","0.0004","9.3744","0.0008","12.0307","0.001","76.517","0.003","74.637","0.005","79.462","0.005","718.31","0.1","170","2","170","2","","","","","","","","5","P -1","-P 1","2","Acridine+Trichloroacetate","5","","- C15 H10 Cl3 N O2 -","- C15 H10 Cl3 N O2 -","- C30 H20 Cl6 N2 O4 -","2","1","","Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari","Fluorescence enhancement of quinolines by protonation","RSC Advances","2020","10","49","29385","29393","10.1039/D0RA04691D","","","0.71073","MoKα","","0.0754","0.0478","","","0.0975","0.1073","","","","","","1.036","","","","has coordinates","258123","2020-10-21","18:00:00",""
"7241060","9.5335","0.0003","18.6879","0.0005","7.1523","0.0002","90","","96.999","0.002","90","","1264.77","0.06","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Acridine+Trifluoroacetate","4","","- C15 H10 F3 N O2 -","- C15 H10 F3 N O2 -","- C60 H40 F12 N4 O8 -","4","1","","Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari","Fluorescence enhancement of quinolines by protonation","RSC Advances","2020","10","49","29385","29393","10.1039/D0RA04691D","","","0.71073","MoKα","","0.0613","0.0491","","","0.1179","0.1256","","","","","","1.04","","","","has coordinates","258123","2020-10-21","18:00:00",""
"7241061","10.1155","0.0006","11.3509","0.0004","11.1128","0.0005","90","","111.011","0.002","90","","1191.13","0.1","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","isoquinolinium trichloroacatate","","","- C11 H8 Cl3 N O2 -","- C11 H8 Cl3 N O2 -","- C44 H32 Cl12 N4 O8 -","4","1","","Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari","Fluorescence enhancement of quinolines by protonation","RSC Advances","2020","10","49","29385","29393","10.1039/D0RA04691D","","","0.71073","MoKα","","0.0951","0.0548","","","0.1065","0.1205","","","","","","1.047","","","","has coordinates","258123","2020-10-21","18:00:00",""
"7241062","8.4155","0.0003","11.3195","0.0005","19.7432","0.0008","90","","92.939","0.002","90","","1878.25","0.13","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Benzoquinoline+Dichloroacetate","13","","- C17 H13 Cl4 N O4 -","- C17 H13 Cl4 N O4 -","- C68 H52 Cl16 N4 O16 -","4","1","","Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari","Fluorescence enhancement of quinolines by protonation","RSC Advances","2020","10","49","29385","29393","10.1039/D0RA04691D","","","0.71073","MoKα","","0.0824","0.0501","","","0.1092","0.1239","","","","","","1.011","","","","has coordinates","258123","2020-10-21","18:00:00",""
"7241063","7.1261","0.0002","9.7581","0.0004","22.8711","0.0008","90","","90.978","0.002","90","","1590.16","0.1","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Acridine+Benzenesulfonate","6","","- C19 H15 N O3 S -","- C19 H15 N O3 S -","- C76 H60 N4 O12 S4 -","4","1","","Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari","Fluorescence enhancement of quinolines by protonation","RSC Advances","2020","10","49","29385","29393","10.1039/D0RA04691D","","","0.71073","MoKα","","0.0651","0.0479","","","0.1116","0.1209","","","","","","1.036","","","","has coordinates","258123","2020-10-21","18:00:00",""
"7241064","6.691","0.0002","24.1354","0.0007","18.5026","0.0005","90","","92.611","0.002","90","","2984.88","0.15","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Benzoquinoline+Trichloroacetate","11","","- C15 H10 Cl3 N O2 -","- C15 H10 Cl3 N O2 -","- C120 H80 Cl24 N8 O16 -","8","2","","Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari","Fluorescence enhancement of quinolines by protonation","RSC Advances","2020","10","49","29385","29393","10.1039/D0RA04691D","","","0.71073","MoKα","","0.0816","0.0622","","","0.1612","0.1727","","","","","","1.076","","","","has coordinates","258123","2020-10-21","18:00:00",""
"7241065","10.0948","0.001","5.0687","0.0003","24.9448","0.0019","90","","90.411","0.003","90","","1276.33","0.18","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Benzoquinoline+Trifluoroacetate","10","","- C15 H10 F3 N O2 -","- C15 H10 F3 N O2 -","- C60 H40 F12 N4 O8 -","4","1","","Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari","Fluorescence enhancement of quinolines by protonation","RSC Advances","2020","10","49","29385","29393","10.1039/D0RA04691D","","","0.71073","MoKα","","0.1101","0.0584","","","0.1364","0.1628","","","","","","1.022","","","","has coordinates","258123","2020-10-21","18:00:00",""
"7241066","4.3451","0.0002","19.0711","0.0005","23.2876","0.0006","90","","90","","90","","1929.75","0.11","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Benzoquinoline+Dibromoacetate","14","","- C17 H13 Br4 N O4 -","- C17 H13 Br4 N O4 -","- C68 H52 Br16 N4 O16 -","4","1","","Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari","Fluorescence enhancement of quinolines by protonation","RSC Advances","2020","10","49","29385","29393","10.1039/D0RA04691D","","","0.71073","MoKα","","0.0348","0.0277","","","0.0571","0.0598","","","","","","1.023","","","","has coordinates","258123","2020-10-21","18:00:00",""
"7241067","10.8902","0.0017","18.0847","0.0011","12.7594","0.0012","90","","110.79","0.015","90","","2349.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 Cu N3 O4 -","- C20 H13 Cu N3 O4 -","- C80 H52 Cu4 N12 O16 -","4","1","","Wei, Wenchang; Liu, Zheng; Wei, Runzhi; Han, Guo-Cheng; Liang, Chuxin","Synthesis of MOFs/GO composite for corrosion resistance application on carbon steel","RSC Advances","2020","10","50","29923","29934","10.1039/D0RA05690A","","","0.71073","MoKα","","0.1738","0.0776","","","0.192","0.2463","","","","","","0.944","","","","has coordinates","258072","2020-10-21","18:00:00",""
"7241068","4.8722","0.0002","16.6989","0.0006","19.354","0.0006","90","","90","","90","","1574.65","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H12 Mn N2 O5 -","- C20 H12 Mn N2 O5 -","- C80 H48 Mn4 N8 O20 -","4","1","","Wei, Wenchang; Liu, Zheng; Wei, Runzhi; Han, Guo-Cheng; Liang, Chuxin","Synthesis of MOFs/GO composite for corrosion resistance application on carbon steel","RSC Advances","2020","10","50","29923","29934","10.1039/D0RA05690A","","","0.71073","MoKα","","0.0643","0.0435","","","0.0795","0.0883","","","","","","1.035","","","","has coordinates","258072","2020-10-21","18:00:00",""
"7241071","10.3025","0.0011","15.7894","0.0017","15.9352","0.0016","90","","92.997","0.004","90","","2588.6","0.5","170","2","169.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H19 F6 N3 -","- C34 H19 F6 N3 -","- C136 H76 F24 N12 -","4","1","","Wang, Zhichao; Li, Hanjie; Peng, Zhixing; Wang, Zaibin; Wang, Yanguang; Lu, Ping","Preparation and photophysical properties of quinazoline-based fluorophores","RSC Advances","2020","10","51","30297","30303","10.1039/D0RA05701K","","","0.71073","MoKα","","0.0618","0.0494","","","0.1324","0.1422","","","","","","1.036","","","","has coordinates","257976","2020-10-21","18:00:00",""
"7241072","10.437","0.004","11.159","0.004","26.443","0.008","90","","93.92","0.012","90","","3072.5","1.9","170","2","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H21 Cl2 F6 N3 O -","- C35 H21 Cl2 F6 N3 O -","- C140 H84 Cl8 F24 N12 O4 -","4","1","","Wang, Zhichao; Li, Hanjie; Peng, Zhixing; Wang, Zaibin; Wang, Yanguang; Lu, Ping","Preparation and photophysical properties of quinazoline-based fluorophores","RSC Advances","2020","10","51","30297","30303","10.1039/D0RA05701K","","","0.71073","MoKα","","0.0639","0.0541","","","0.1373","0.1463","","","","","","1.052","","","","has coordinates","257976","2020-10-21","18:00:00",""
"7241073","9.459","0.003","12.647","0.003","13.633","0.003","92.321","0.011","107.307","0.012","92.887","0.013","1552.4","0.7","170","2","170","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H21 F6 N3 -","- C34 H21 F6 N3 -","- C68 H42 F12 N6 -","2","1","","Wang, Zhichao; Li, Hanjie; Peng, Zhixing; Wang, Zaibin; Wang, Yanguang; Lu, Ping","Preparation and photophysical properties of quinazoline-based fluorophores","RSC Advances","2020","10","51","30297","30303","10.1039/D0RA05701K","","","0.71073","MoKα","","0.0678","0.0622","","","0.1738","0.1796","","","","","","1.064","","","","has coordinates","257976","2020-10-21","18:00:00",""
"7241074","9.488","0.003","9.778","0.003","16.834","0.006","105.688","0.017","97.397","0.017","94.639","0.012","1480.1","0.9","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H25 F6 N3 O2 -","- C36 H25 F6 N3 O2 -","- C72 H50 F12 N6 O4 -","2","1","","Wang, Zhichao; Li, Hanjie; Peng, Zhixing; Wang, Zaibin; Wang, Yanguang; Lu, Ping","Preparation and photophysical properties of quinazoline-based fluorophores","RSC Advances","2020","10","51","30297","30303","10.1039/D0RA05701K","","","0.71073","MoKα","","0.051","0.0467","","","0.1205","0.1248","","","","","","1.028","","","","has coordinates","257976","2020-10-21","18:00:00",""
"7241077","14.0679","0.0007","13.5283","0.0007","12.1868","0.0006","90","","98.839","0.005","90","","2291.8","0.2","102","4","102","4","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Cd N7 O4 -","- C15 H11 Cd N7 O4 -","- C60 H44 Cd4 N28 O16 -","4","1","","Zhu, Gui-Ying; Liu, Zhenliang; Wang, Jia; Niu, Xue; Wang, Teng; Jin, Guo-Xia; Ma, Jian-Ping","Syntheses of four porous 3-D Cd(ii) metal‒organic frameworks from a new multidentate ligand 5-(imidazol-1-yl)-N′-(pyridin-4-ylmethylene) nicotinohydrazide and their characterization and adsorption properties","RSC Advances","2020","10","51","30650","30655","10.1039/D0RA05131D","","x-ray","0.71073","MoKα","","0.038","0.0313","","","0.0685","0.0717","","","","","","1.0255","","","","has coordinates","257977","2020-10-21","18:00:00",""
"7241078","14.1942","0.0003","13.8641","0.0003","11.4559","0.0003","90","","100.148","0.002","90","","2219.14","0.09","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Cd Cl N6 O -","- C15 H11 Cd Cl N6 O -","- C60 H44 Cd4 Cl4 N24 O4 -","4","1","","Zhu, Gui-Ying; Liu, Zhenliang; Wang, Jia; Niu, Xue; Wang, Teng; Jin, Guo-Xia; Ma, Jian-Ping","Syntheses of four porous 3-D Cd(ii) metal‒organic frameworks from a new multidentate ligand 5-(imidazol-1-yl)-N′-(pyridin-4-ylmethylene) nicotinohydrazide and their characterization and adsorption properties","RSC Advances","2020","10","51","30650","30655","10.1039/D0RA05131D","","x-ray","0.71073","MoKα","","0.0298","0.025","","","0.0518","0.0536","","","","","","1.0067","","","","has coordinates,has disorder","257977","2020-10-21","18:00:00",""
"7241079","14.1595","0.0007","13.7222","0.0009","11.8323","0.0007","90","","100.171","0.005","90","","2262.9","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Br Cd N6 O -","- C15 H11 Br Cd N6 O -","- C60 H44 Br4 Cd4 N24 O4 -","4","1","","Zhu, Gui-Ying; Liu, Zhenliang; Wang, Jia; Niu, Xue; Wang, Teng; Jin, Guo-Xia; Ma, Jian-Ping","Syntheses of four porous 3-D Cd(ii) metal‒organic frameworks from a new multidentate ligand 5-(imidazol-1-yl)-N′-(pyridin-4-ylmethylene) nicotinohydrazide and their characterization and adsorption properties","RSC Advances","2020","10","51","30650","30655","10.1039/D0RA05131D","","x-ray","1.54178","CuKα","","0.0392","0.0369","","","0.087","0.0887","","","","","","1.0424","","","","has coordinates,has disorder","257977","2020-10-21","18:00:00",""
"7241080","13.9866","0.0006","13.6934","0.0007","12.088","0.0007","90","","99.393","0.005","90","","2284.1","0.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Cd I N6 O -","- C15 H11 Cd I N6 O -","- C60 H44 Cd4 I4 N24 O4 -","4","1","","Zhu, Gui-Ying; Liu, Zhenliang; Wang, Jia; Niu, Xue; Wang, Teng; Jin, Guo-Xia; Ma, Jian-Ping","Syntheses of four porous 3-D Cd(ii) metal‒organic frameworks from a new multidentate ligand 5-(imidazol-1-yl)-N′-(pyridin-4-ylmethylene) nicotinohydrazide and their characterization and adsorption properties","RSC Advances","2020","10","51","30650","30655","10.1039/D0RA05131D","","x-ray","0.71073","MoKα","","0.0766","0.0611","","","0.1621","0.1732","","","","","","0.9964","","","","has coordinates","257977","2020-10-21","18:00:00",""
"7241081","8.7108","0.0004","9.1324","0.0004","14.1005","0.0006","100.068","0.004","92.632","0.004","111.204","0.004","1022.35","0.09","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H6 N O10 Os3 -","- C17 H6 N O10 Os3 -","- C34 H12 N2 O20 Os6 -","2","1","","Joy, Md. Tuhinur R.; Roknuzzaman,; Hossain, Md. Emdad; Ghosh, Shishir; Tocher, Derek A.; Richmond, Michael G.; Kabir, Shariff E.","Reactions of triosmium and triruthenium clusters with 2-ethynylpyridine: new modes for alkyne C‒C bond coupling and C‒H bond activation","RSC Advances","2020","10","51","30671","30682","10.1039/D0RA05393G","","x-ray","0.71073","MoKα","","0.0294","0.0269","","","0.0623","0.0641","","","","","","1.017","","","","has coordinates","257975","2020-10-21","18:00:00",""
"7241082","17.575","0.004","8.329","0.002","30.267","0.006","90","","96.45","0.03","90","","4402.5","1.7","193","1","193","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17.5 H5 Cl N O11 Os3 -","- C17.5 H5 Cl N O11 Os3 -","- C140 H40 Cl8 N8 O88 Os24 -","8","1","","Joy, Md. Tuhinur R.; Roknuzzaman,; Hossain, Md. Emdad; Ghosh, Shishir; Tocher, Derek A.; Richmond, Michael G.; Kabir, Shariff E.","Reactions of triosmium and triruthenium clusters with 2-ethynylpyridine: new modes for alkyne C‒C bond coupling and C‒H bond activation","RSC Advances","2020","10","51","30671","30682","10.1039/D0RA05393G","","","0.71073","MoKα","","0.0318","0.0261","","","0.0534","0.0551","","","","","","1.135","","","","has coordinates","257975","2020-10-21","18:00:00",""
"7241083","8.187","0.005","9.641","0.006","15.139","0.009","97.65","0.03","94.716","0.017","106.3","0.02","1127.7","1.2","193","1","193","1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H10 N2 O8 Ru3 -","- C22 H10 N2 O8 Ru3 -","- C44 H20 N4 O16 Ru6 -","2","1","","Joy, Md. Tuhinur R.; Roknuzzaman,; Hossain, Md. Emdad; Ghosh, Shishir; Tocher, Derek A.; Richmond, Michael G.; Kabir, Shariff E.","Reactions of triosmium and triruthenium clusters with 2-ethynylpyridine: new modes for alkyne C‒C bond coupling and C‒H bond activation","RSC Advances","2020","10","51","30671","30682","10.1039/D0RA05393G","","","0.71073","MoKα","","0.0497","0.0323","","","0.0775","0.0854","","","","","","1.039","","","","has coordinates","257975","2020-10-21","18:00:00",""
"7241084","11.114","0.018","11.221","0.017","13.16","0.02","75.91","0.05","73.55","0.06","61.99","0.09","1378","4","193","1","193","1","","","","","","","","5","P -1","-P 1","2","","","","- C29 H15 N3 O8 Ru3 -","- C29 H15 N3 O8 Ru3 -","- C58 H30 N6 O16 Ru6 -","2","1","","Joy, Md. Tuhinur R.; Roknuzzaman,; Hossain, Md. Emdad; Ghosh, Shishir; Tocher, Derek A.; Richmond, Michael G.; Kabir, Shariff E.","Reactions of triosmium and triruthenium clusters with 2-ethynylpyridine: new modes for alkyne C‒C bond coupling and C‒H bond activation","RSC Advances","2020","10","51","30671","30682","10.1039/D0RA05393G","","","0.71073","MoKα","","0.101","0.0687","","","0.1619","0.1872","","","","","","1.052","","","","has coordinates","257975","2020-10-21","18:00:00",""
"7241085","8.1249","0.0002","15.291","0.0004","15.3121","0.0004","90","","91.697","0.002","90","","1901.51","0.08","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H6 N O9 Os3 -","- C16 H6 N O9 Os3 -","- C64 H24 N4 O36 Os12 -","4","1","","Joy, Md. Tuhinur R.; Roknuzzaman,; Hossain, Md. Emdad; Ghosh, Shishir; Tocher, Derek A.; Richmond, Michael G.; Kabir, Shariff E.","Reactions of triosmium and triruthenium clusters with 2-ethynylpyridine: new modes for alkyne C‒C bond coupling and C‒H bond activation","RSC Advances","2020","10","51","30671","30682","10.1039/D0RA05393G","","x-ray","0.71073","MoKα","","0.0239","0.0211","","","0.0459","0.0471","","","","","","1.103","","","","has coordinates","257975","2020-10-21","18:00:00",""
"7241132","14.1749","0.0009","16.1144","0.0008","14.9624","0.0011","90","","91.976","0.006","90","","3415.7","0.4","298","","298","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H19 N O3 -","- C20 H18 N O3 -","- C160 H144 N8 O24 -","8","2","","Bakthadoss, Manickam; Reddy, Tadiparthi Thirupathi; Sharada, Duddu S.","Ruthenium-catalyzed, site-selective C–H activation: access to C5-substituted azaflavanone","RSC Advances","2020","10","52","31570","31574","10.1039/D0RA06580C","","","0.71073","MoKα","","0.1631","0.0821","","","0.213","0.2654","","","","","","1.049","","","","has coordinates","295543","2024-10-18","15:17:09",""
"7241133","10.5619","0.0005","7.106","0.0003","25.1299","0.0012","90","","101.338","0.001","90","","1849.26","0.15","100.06","","100.06","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 Cl2 F3 Fe N4 O3 S -","- C12 H18 Cl2 F3 Fe N4 O3 S -","- C48 H72 Cl8 F12 Fe4 N16 O12 S4 -","4","1","","Mekhail, Magy A.; Pota, Kristof; Schwartz, Timothy M.; Green, Kayla N.","Functionalized pyridine in pyclen-based iron(iii) complexes: evaluation of fundamental properties","RSC Advances","2020","10","52","31165","31170","10.1039/D0RA05756H","","","0.71073","MoKα","","0.0221","0.0215","","","0.0555","0.0558","","","","","","1.0685","","","","has coordinates","258042","2020-10-21","18:00:00",""
"7241134","27.529","0.0009","10.302","0.0003","7.0168","0.0002","90","","90","","90","","1989.99","0.1","105","2","105","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C12 H17 Cl2 F3 Fe N5 O5 S -","- C12 H17 Cl2 F3 Fe N5 O5 S -","- C48 H68 Cl8 F12 Fe4 N20 O20 S4 -","4","0.5","","Mekhail, Magy A.; Pota, Kristof; Schwartz, Timothy M.; Green, Kayla N.","Functionalized pyridine in pyclen-based iron(iii) complexes: evaluation of fundamental properties","RSC Advances","2020","10","52","31165","31170","10.1039/D0RA05756H","","","0.71073","MoKα","","0.0381","0.0379","","","0.0937","0.0938","","","","","","1.213","","","","has coordinates","258042","2020-10-21","18:00:00",""
"7241135","10.1639","0.0003","8.8011","0.0003","12.5028","0.0004","90","","109.928","0.002","90","","1051.45","0.06","99.97","","99.97","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C14 H21 Cl2 F3 Fe N5 O4 S -","- C14 H21 Cl2 F3 Fe N5 O4 S -","- C28 H42 Cl4 F6 Fe2 N10 O8 S2 -","2","0.5","","Mekhail, Magy A.; Pota, Kristof; Schwartz, Timothy M.; Green, Kayla N.","Functionalized pyridine in pyclen-based iron(iii) complexes: evaluation of fundamental properties","RSC Advances","2020","10","52","31165","31170","10.1039/D0RA05756H","","","0.71073","MoKα","","0.0628","0.0502","","","0.0947","0.0994","","","","","","1.117","","","","has coordinates,has disorder","258042","2020-10-21","18:00:00",""
"7241136","6.8687","0.0002","8.6082","0.0002","13.7369","0.0004","80.288","0.002","81.571","0.002","88.256","0.002","791.92","0.04","102.49","","102.49","","","","","","","","","6","P -1","-P 1","2","","","","- C11 H19.161 Cl3 Fe N4 O1.907 -","- C11 H19.16 Cl3 Fe N4 O1.91 -","- C22 H38.32 Cl6 Fe2 N8 O3.82 -","2","1","","Mekhail, Magy A.; Pota, Kristof; Schwartz, Timothy M.; Green, Kayla N.","Functionalized pyridine in pyclen-based iron(iii) complexes: evaluation of fundamental properties","RSC Advances","2020","10","52","31165","31170","10.1039/D0RA05756H","","","0.71073","MoKα","","0.0611","0.0411","","","0.0819","0.089","","","","","","1.0563","","","","has coordinates,has disorder","258042","2020-10-21","18:00:00",""
"7241137","6.9632","0.0003","10.2625","0.0005","14.6539","0.0007","90","","97.751","0.002","90","","1037.6","0.08","100.01","","100.01","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C13 H17 Cl2 F6 Fe N4 O3 S -","- C13 H17 Cl2 F6 Fe N4 O3 S -","- C26 H34 Cl4 F12 Fe2 N8 O6 S2 -","2","0.5","","Mekhail, Magy A.; Pota, Kristof; Schwartz, Timothy M.; Green, Kayla N.","Functionalized pyridine in pyclen-based iron(iii) complexes: evaluation of fundamental properties","RSC Advances","2020","10","52","31165","31170","10.1039/D0RA05756H","","","0.71073","MoKα","","0.0337","0.03","","","0.0761","0.0786","","","","","","1.0543","","","","has coordinates","258042","2020-10-21","18:00:00",""
"7241138","6.9779","0.0004","10.3829","0.0006","13.9933","0.0008","90","","97.673","0.002","90","","1004.75","0.1","100.01","","100.01","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C12 H17 Cl3 F3 Fe N4 O3 S -","- C12 H17 Cl3 F3 Fe N4 O3 S -","- C24 H34 Cl6 F6 Fe2 N8 O6 S2 -","2","0.5","","Mekhail, Magy A.; Pota, Kristof; Schwartz, Timothy M.; Green, Kayla N.","Functionalized pyridine in pyclen-based iron(iii) complexes: evaluation of fundamental properties","RSC Advances","2020","10","52","31165","31170","10.1039/D0RA05756H","","","0.71073","MoKα","","0.0267","0.0261","","","0.0608","0.0613","","","","","","1.0497","","","","has coordinates","258042","2020-10-21","18:00:00",""
"7241139","16.587","0.009","10.184","0.005","17.383","0.009","90","","108.815","0.018","90","","2779","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H27 B N2 O3 -","- C34 H27 B N2 O3 -","- C136 H108 B4 N8 O12 -","4","1","","Lara-Cerón, Jesús A.; Jiménez Pérez, Víctor M.; Xochicale-Santana, Leonardo; Ochoa, María E.; Chávez-Reyes, Arturo; Muñoz-Flores, Blanca M.","Boron Schiff bases derived from α-amino acids as nucleoli/cytoplasm cell-staining fluorescent probes in vitro","RSC Advances","2020","10","53","31748","31757","10.1039/D0RA05948J","","","0.71073","MoKα","","0.1033","0.0587","","","0.1194","0.1374","","","","","","1.074","","","","has coordinates","258008","2020-10-21","18:00:00",""
"7241140","3.8428","0.0003","36.328","0.003","11.0693","0.0008","90","","91.93","0.004","90","","1544.4","0.2","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H12 O3 S -","- C21 H12 O3 S -","- C84 H48 O12 S4 -","4","1","","Boufroura, Hamza; Plais, Romain; Poyer, Salomé; Gaucher, Anne; Marrot, Jérome; Clavier, Gilles; Legrand, François-Xavier; Huin, Cécile; Guégan, Philippe; Prim, Damien; Salpin, Jean-Yves","Helically shaped cation receptor: design, synthesis, characterisation and first application to ion transport","RSC Advances","2020","10","52","31670","31679","10.1039/D0RA05519K","","","0.71073","MoKα","","0.0818","0.067","","","0.1602","0.1709","","","","","","1.021","","","","has coordinates","258041","2020-10-21","18:00:00",""
"7241141","7.7624","0.0012","13.253","0.002","10.4256","0.0016","90","","104.1","0.002","90","","1040.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H2 N8 O6 -","- C6 H2 N8 O6 -","- C24 H8 N32 O24 -","4","1","","Zhang, Jiarong; Bi, Fuqiang; Zhai, Lianjie; Huo, Huan; Yang, Zhi; Wang, Bozhou","A comparative study of the structures, thermal stabilities and energetic performances of two energetic regioisomers: 3(4)-(4-aminofurazan-3-yl)-4(3)-(4-nitrofurazan-3-yl)furoxan","RSC Advances","2020","10","53","31800","31807","10.1039/D0RA06186G","","","0.71073","MoKα","","0.0371","0.0319","","","0.0837","0.0883","","","","","","1.027","","","","has coordinates","258004","2020-10-21","18:00:00",""
"7241142","6.188","0.008","9.187","0.011","10.3","0.013","71.902","0.018","84.505","0.018","82.972","0.019","551.4","1.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H2 N8 O6 -","- C6 H2 N8 O6 -","- C12 H4 N16 O12 -","2","1","","Zhang, Jiarong; Bi, Fuqiang; Zhai, Lianjie; Huo, Huan; Yang, Zhi; Wang, Bozhou","A comparative study of the structures, thermal stabilities and energetic performances of two energetic regioisomers: 3(4)-(4-aminofurazan-3-yl)-4(3)-(4-nitrofurazan-3-yl)furoxan","RSC Advances","2020","10","53","31800","31807","10.1039/D0RA06186G","","","0.71073","MoKα","","0.0668","0.063","","","0.201","0.2053","","","","","","1.024","","","","has coordinates","258004","2020-10-21","18:00:00",""
"7241143","14.7203","0.0009","5.3408","0.0003","16.4985","0.0009","90","","106.533","0.006","90","","1243.46","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O S -","- C14 H12 N2 O S -","- C56 H48 N8 O4 S4 -","4","1","","Hu, Jingyan; Ji, Xiaoming; Hao, Shuai; Zhao, Mingqin; Lai, Miao; Ren, Tianbao; Xi, Gaolei; Wang, Erbin; Wang, Juanjuan; Wu, Zhiyong","Regioselective C‒H sulfenylation of N-sulfonyl protected 7-azaindoles promoted by TBAI: a rapid synthesis of 3-thio-7-azaindoles","RSC Advances","2020","10","53","31819","31823","10.1039/D0RA06635D","","x-ray","1.54184","CuKα","","0.064","0.0454","","","0.1081","0.1234","","","","","","1.038","","","","has coordinates","258007","2020-10-21","18:00:00",""
"7241152","17.861","0.004","11.063","0.002","22.252","0.005","90","","108.15","0.03","90","","4178.1","1.7","113.15","","113.15","","","","","","","","","11","P 1 21/c 1","-P 2ybc","14","","","","- C40 H35 B Cl F4 Fe N Ni O P2 S2 -","- C40 H35 B Cl F4 Fe N Ni O P2 S2 -","- C160 H140 B4 Cl4 F16 Fe4 N4 Ni4 O4 P8 S8 -","4","1","","Song, Li-Cheng; Liu, Bei-Bei; Liu, Wen-Bo; Tan, Zheng-Lei","Heterodinuclear nickel(ii)‒iron(ii) azadithiolates as structural and functional models for the active site of [NiFe]-hydrogenases","RSC Advances","2020","10","53","32069","32077","10.1039/D0RA04344C","","","0.71073","MoKα","","0.0866","0.0693","","","0.1538","0.1648","","","","","","1.127","","","","has coordinates","258005","2020-10-21","18:00:00",""
"7241153","10.113","0.002","12.365","0.003","18.383","0.004","75.55","0.03","87.96","0.03","77.76","0.03","2175.1","0.9","113","2","113.15","","","","","","","","","11","P -1","-P 1","2","","","","- C43 H42 B Cl2 F4 Fe N Ni O3 P2 S2 -","- C43 H42 B Cl2 F4 Fe N Ni O3 P2 S2 -","- C86 H84 B2 Cl4 F8 Fe2 N2 Ni2 O6 P4 S4 -","2","1","","Song, Li-Cheng; Liu, Bei-Bei; Liu, Wen-Bo; Tan, Zheng-Lei","Heterodinuclear nickel(ii)‒iron(ii) azadithiolates as structural and functional models for the active site of [NiFe]-hydrogenases","RSC Advances","2020","10","53","32069","32077","10.1039/D0RA04344C","","","0.71073","MoKα","","0.0756","0.0567","","","0.1441","0.1575","","","","","","1.06","","","","has coordinates,has disorder","258005","2020-10-21","18:00:00",""
"7241154","17.8793","0.0011","11.0429","0.0005","22.4895","0.001","90","","108.615","0.006","90","","4208","0.4","293","2","293","2","","","","","","","","11","P 1 21/c 1","-P 2ybc","14","","","","- C42 H40 B Cl2 F4 Fe N Ni O P2 S2 -","- C42 H40 B Cl2 F4 Fe N Ni O P2 S2 -","- C168 H160 B4 Cl8 F16 Fe4 N4 Ni4 O4 P8 S8 -","4","1","","Song, Li-Cheng; Liu, Bei-Bei; Liu, Wen-Bo; Tan, Zheng-Lei","Heterodinuclear nickel(ii)‒iron(ii) azadithiolates as structural and functional models for the active site of [NiFe]-hydrogenases","RSC Advances","2020","10","53","32069","32077","10.1039/D0RA04344C","","x-ray","0.71073","MoKα","","0.0924","0.0712","","","0.1847","0.1987","","","","","","1.061","","","","has coordinates,has disorder","258005","2020-10-21","18:00:00",""
"7241163","13.7591","0.0006","13.7591","0.0006","24.7686","0.0015","90","","90","","90","","4689","0.4","120","2","120","2","","","","","","","","4","I 4/m","-I 4","87","","","","- C28 H16 Ca2 O10.25 -","- C29 H16 Ca2 O9.44 -","- C116 H64 Ca8 O37.76 -","4","0.25","","Almáši, Miroslav; Zeleňák, Vladimír; Gyepes, Róbert; Zauška, Ľuboš; Bourrelly, Sandrine","A series of four novel alkaline earth metal‒organic frameworks constructed of Ca(ii), Sr(ii), Ba(ii) ions and tetrahedral MTB linker: structural diversity, stability study and low/high-pressure gas adsorption properties","RSC Advances","2020","10","54","32323","32334","10.1039/D0RA05145D","","","1.54178","CuKα","","0.1404","0.1211","","","0.3851","0.4089","","","","","","1.059","","","","has coordinates,has disorder","258130","2020-10-21","18:00:00",""
"7241164","15.6159","0.0006","21.5936","0.0008","28.5465","0.001","90","","102.488","0.001","90","","9398.2","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H32 N0 O16 Sr3 -","- C58 H32 O16 Sr3 -","- C232 H128 O64 Sr12 -","4","1","","Almáši, Miroslav; Zeleňák, Vladimír; Gyepes, Róbert; Zauška, Ľuboš; Bourrelly, Sandrine","A series of four novel alkaline earth metal‒organic frameworks constructed of Ca(ii), Sr(ii), Ba(ii) ions and tetrahedral MTB linker: structural diversity, stability study and low/high-pressure gas adsorption properties","RSC Advances","2020","10","54","32323","32334","10.1039/D0RA05145D","","","0.71073","MoKα","","0.1144","0.0647","","","0.1632","0.1792","","","","","","1.03","","","","has coordinates,has disorder","258130","2020-10-21","18:00:00",""
"7241165","30.7615","0.0016","11.9378","0.0006","25.851","0.002","90","","122.448","0.001","90","","8011","0.9","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C58 H34 Ba3 O17 -","- C58 H34 Ba3 O17 -","- C232 H136 Ba12 O68 -","4","0.5","","Almáši, Miroslav; Zeleňák, Vladimír; Gyepes, Róbert; Zauška, Ľuboš; Bourrelly, Sandrine","A series of four novel alkaline earth metal‒organic frameworks constructed of Ca(ii), Sr(ii), Ba(ii) ions and tetrahedral MTB linker: structural diversity, stability study and low/high-pressure gas adsorption properties","RSC Advances","2020","10","54","32323","32334","10.1039/D0RA05145D","","","0.71073","MoKα","","0.0646","0.0397","","","0.0897","0.097","","","","","","1.048","","","","has coordinates","258130","2020-10-21","18:00:00",""
"7241166","12.4203","0.0006","22.333","0.0008","28.082","0.0012","90","","90","","90","","7789.5","0.6","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C58 H32 Ca4 O16 -","- C58 H32 Ca4 O16 -","- C232 H128 Ca16 O64 -","4","1","","Almáši, Miroslav; Zeleňák, Vladimír; Gyepes, Róbert; Zauška, Ľuboš; Bourrelly, Sandrine","A series of four novel alkaline earth metal‒organic frameworks constructed of Ca(ii), Sr(ii), Ba(ii) ions and tetrahedral MTB linker: structural diversity, stability study and low/high-pressure gas adsorption properties","RSC Advances","2020","10","54","32323","32334","10.1039/D0RA05145D","","","0.71073","MoKα","","0.1054","0.0572","","","0.1402","0.1622","","","","","","1.003","","","","has coordinates","258130","2020-10-21","18:00:00",""
"7241167","9.3026","0.0008","17.5625","0.0014","11.3369","0.0009","90","","94.35","0.001","90","","1846.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 N2 O17 Y2 -","- C28 H36 N2 O17 Y2 -","- C56 H72 N4 O34 Y4 -","2","0.5","","Liu, Hongyan; Liu, Yang; Meng, Yu; Shi, Xiaolei; Sun, Junshan; Zhao, Limin; Chen, Diming; Hao, Hongguo; Li, Dacheng; Dou, Jianmin; Han, Jun","Di-functional luminescent sensors based on Y3+ doped Eu3+ and Tb3+ coordination polymers: fast response and visible detection of Cr3+, Fe3+ ions in aqueous solutions and acetone","RSC Advances","2020","10","53","32232","32240","10.1039/D0RA06407F","","","0.71073","MoKα","","0.167","0.0938","","","0.2072","0.2286","","","","","","1.059","","","","has coordinates,has disorder","258003","2020-10-21","18:00:00",""
"7241168","8.7427","0.0006","11.4201","0.0007","12.4832","0.0009","82.935","0.006","73.455","0.007","75.613","0.006","1155.45","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H19 Br N O P S -","- C27 H19 Br N O P S -","- C54 H38 Br2 N2 O2 P2 S2 -","2","1","","Liu, Yang; Yao, Shijie; Wang, Chaoli; Zhang, Yahui; Hao, Wenyan","Copper(ii)-catalyzed tandem cyclization for the synthesis of benzo[d][1,3]thiazin-2-yl phosphonates involving C‒P and C‒S bond formation","RSC Advances","2020","10","53","32211","32215","10.1039/D0RA06671K","","x-ray","0.71073","MoKα","","0.0705","0.0465","","","0.1157","0.1287","","","","","","1.056","","","","has coordinates,has disorder","258006","2020-10-21","18:00:00",""
"7241176","11.4106","0.0003","12.2137","0.0003","20.5158","0.0006","87.203","0.002","76.153","0.002","70.627","0.002","2617.46","0.13","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C52 H32 N8 O4 Zn2 -","- C55 H32 N8 O14 Zn2 -","- C110 H64 N16 O28 Zn4 -","2","1","","Li, Shanji; Wen, Huawen; Yuan, Ningning; Xie, Pengbo; Qin, Jinlan; Wang, Zhengfang","Synthesis, characterization and computational studies of Zn complex based on the 8-hydroxyquinoline group containing benzimidazole","RSC Advances","2020","10","54","32490","32496","10.1039/D0RA05168C","","x-ray","1.54178","CuKα","","0.0841","0.0673","","","0.1809","0.1992","","","","","","1.04","","","","has coordinates","258131","2020-10-21","18:00:00",""
"7241177","8.8401","0.0002","15.7704","0.0003","16.9216","0.0005","90","","104.928","0.003","90","","2279.45","0.1","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N4 O3 -","- C28 H18 N4 O3 -","- C112 H72 N16 O12 -","4","1","","Li, Shanji; Wen, Huawen; Yuan, Ningning; Xie, Pengbo; Qin, Jinlan; Wang, Zhengfang","Synthesis, characterization and computational studies of Zn complex based on the 8-hydroxyquinoline group containing benzimidazole","RSC Advances","2020","10","54","32490","32496","10.1039/D0RA05168C","","x-ray","1.54184","CuKα","","0.0537","0.0431","","","0.1188","0.1309","","","","","","1.024","","","","has coordinates,has disorder","258131","2020-10-21","18:00:00",""
"7241186","8.3108","0.0003","11.6756","0.0003","25.7039","0.0008","81.273","0.006","88.301","0.006","83.153","0.006","2447.51","0.14","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H33 N4 O10 P -","- C20 H33 N4 O10 P -","- C80 H132 N16 O40 P4 -","4","2","","Ma, Su; Kurihara, Seiji; Tomimori, Yasuhiro; Kim, Sunnam; Kwon, Eunsang; Muramatsu, Atsushi; Kanie, Kiyoshi","Self-assembly of photoresponsive azo-containing phospholipids with a polar group as the tail","RSC Advances","2020","10","54","32984","32991","10.1039/D0RA06803A","","x-ray","1.54187","CuKα","","0.1871","0.106","","","0.2386","0.2852","","","","","","0.914","","","","has coordinates","258129","2020-10-21","18:00:00",""
"7241202","12.9799","0.0006","12.19","0.0007","15.9375","0.0008","90","","102.703","0.005","90","","2460","0.2","100","","100","","","","","","","","synthesis","5","P 1 21 1","P 2yb","4","","[Tbu]ASC","","- C43 H68 N10 O8 S2 -","- C43 H68 N10 O8 S2 -","- C86 H136 N20 O16 S4 -","2","1","","Asano, Akiko; Minoura, Katsuhiko; Kojima, Yuki; Yoshii, Taishi; Ito, Ryoya; Yamada, Takeshi; Kato, Takuma; Doi, Mitsunobu","NMR-based quantitative studies of the conformational equilibrium between their square and folded forms of ascidiacyclamide and its analogues","RSC Advances","2020","10","55","33317","33326","10.1039/D0RA07396B","","","1.54178","CuKα","","0.1108","0.0993","","","0.2545","0.2599","","","","","","0.858","","","","has coordinates,has disorder","257992","2020-10-21","18:00:00",""
"7241203","15.917","0.003","12.1964","0.0019","12.962","0.002","90","","102.303","0.002","90","","2458.5","0.7","240","2","240","2","","","","","","","synthesis","5","C 1 2 1","C 2y","5","","cyclo(Tle-Oxz-D-Val-Thz-Ile-Oxz-D-Val-Thz).DMF","","- C42 H66 N10 O8 S2 -","- C42 H66 N10 O8 S2 -","- C84 H132 N20 O16 S4 -","2","0.5","","Asano, Akiko; Minoura, Katsuhiko; Kojima, Yuki; Yoshii, Taishi; Ito, Ryoya; Yamada, Takeshi; Kato, Takuma; Doi, Mitsunobu","NMR-based quantitative studies of the conformational equilibrium between their square and folded forms of ascidiacyclamide and its analogues","RSC Advances","2020","10","55","33317","33326","10.1039/D0RA07396B","","","0.71073","MoKα","","0.1005","0.0962","","","0.2606","0.2644","","","","","","1.153","","","","has coordinates,has disorder","257992","2020-10-21","18:00:00",""
"7241204","12.9682","0.0009","12.9682","0.0009","30.798","0.003","90","","90","","90","","5179.4","0.7","200","2","200","2","","","","","","","synthesis","5","P 41","P 4w","76","","cyclo(Chg-Oxz-D-Val-Thz-Ile-Oxz-D-Val-Thz).H2O.2DMA","","- C46 H74 N10 O9 S2 -","- C46 H74 N10 O9 S2 -","- C184 H296 N40 O36 S8 -","4","1","","Asano, Akiko; Minoura, Katsuhiko; Kojima, Yuki; Yoshii, Taishi; Ito, Ryoya; Yamada, Takeshi; Kato, Takuma; Doi, Mitsunobu","NMR-based quantitative studies of the conformational equilibrium between their square and folded forms of ascidiacyclamide and its analogues","RSC Advances","2020","10","55","33317","33326","10.1039/D0RA07396B","","","0.71073","MoKα","","0.0907","0.0799","","","0.2149","0.2243","","","","","","1.034","","","","has coordinates","257992","2020-10-21","18:00:00",""
"7241216","17.14","0.003","18.38","0.003","12.352","0.002","90","","103.53","0.003","90","","3783.3","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4d","","- C37 H39 N O5 S -","- C37 H39 N O5 S -","- C148 H156 N4 O20 S4 -","4","1","","Wang, Junwei; Pan, Xiang; Rong, Quanjin; Zhao, Lei; Zhao, Lin; Dai, Weichen; Zhao, Kun; Hu, Lihong","One-pot synthesis of indoles and quinolinones from ortho-tosylaminophenyl-substituted para-quinone methides","RSC Advances","2020","10","55","33455","33460","10.1039/D0RA05497F","","","0.71073","MoKα","","0.0678","0.048","","","0.1392","0.1553","","","","","","1.047","","","","has coordinates","257991","2020-10-21","18:00:00",""
"7241217","9.4365","0.0005","9.6809","0.0007","20.5558","0.0011","89.393","0.003","88.231","0.003","74.156","0.003","1805.64","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 Br N S2 -","- C21 H14 Br N S2 -","- C84 H56 Br4 N4 S8 -","4","2","","Qi, Liang; Liu, Shiwen; Xiao, Linxia","Regio- and stereoselective thiocyanatothiolation of alkynes and alkenes by using NH4SCN and N-thiosuccinimides","RSC Advances","2020","10","55","33450","33454","10.1039/D0RA06913B","","","0.71073","MoKα","","0.0927","0.0537","","","0.1525","0.1764","","","","","","0.984","","","","has coordinates","257990","2020-10-21","18:00:00",""
"7241218","24.293","0.008","24.293","0.008","9.537","0.005","90","","90","","120","","4874","3","296","2","296","2","","","","","","","","5","P -3","-P 3","147","","","","- C132 H123 Mn18 N18 O73 -","- C132 H108 Mn18 N18 O66 -","- C132 H108 Mn18 N18 O66 -","1","0.166667","","Li, Ning-Fang; Han, Ye-Min; Li, Jia-Nian; Cao, Jia-Peng; Du, Ze-Yu; Xu, Yan","Two 3D Mn-based coordination polymers: synthesis, structure and magnetocaloric effect","RSC Advances","2020","10","56","33628","33634","10.1039/D0RA05926A","","","0.71073","MoKα","","0.0459","0.0365","","","0.1071","0.1114","","","","","","1.081","","","","has coordinates,has disorder","258020","2020-10-21","18:00:00",""
"7241219","15.513","0.002","10.486","0.002","22.374","0.004","90","","107.311","0.003","90","","3474.7","1","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H58 Mn6 N8 O27 -","- C62 H58 Mn6 N8 O27 -","- C124 H116 Mn12 N16 O54 -","2","0.25","","Li, Ning-Fang; Han, Ye-Min; Li, Jia-Nian; Cao, Jia-Peng; Du, Ze-Yu; Xu, Yan","Two 3D Mn-based coordination polymers: synthesis, structure and magnetocaloric effect","RSC Advances","2020","10","56","33628","33634","10.1039/D0RA05926A","","","0.71073","MoKα","","0.0308","0.0268","","","0.067","0.0692","","","","","","1.037","","","","has coordinates,has disorder","258020","2020-10-21","18:00:00",""
"7241239","9.5893","0.0002","14.2652","0.0005","15.8257","0.0005","104.318","0.003","104.565","0.003","103.319","0.003","1928.87","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H24 N4 O3 -","- C21 H24 N4 O3 -","- C84 H96 N16 O12 -","4","2","","Said, Awad I.; Palkó, Márta; Haukka, Matti; Fülöp, Ferenc","Retro Diels Alder protocol for regioselective synthesis of novel [1,2,4]triazolo[4,3-a]pyrimidin-7(1H)-ones","RSC Advances","2020","10","56","33937","33943","10.1039/D0RA04345A","","","0.71073","MoKα","","0.0714","0.0492","","","0.1219","0.1363","","","","","","1.03","","","","has coordinates","258021","2020-10-21","18:00:00",""
"7241240","15.9134","0.0001","8.3868","0.0001","16.4808","0.0001","90","","113.86","0.001","90","","2011.59","0.03","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N5 O2 -","- C24 H21 N5 O2 -","- C96 H84 N20 O8 -","4","1","","Said, Awad I.; Palkó, Márta; Haukka, Matti; Fülöp, Ferenc","Retro Diels Alder protocol for regioselective synthesis of novel [1,2,4]triazolo[4,3-a]pyrimidin-7(1H)-ones","RSC Advances","2020","10","56","33937","33943","10.1039/D0RA04345A","","","1.54184","CuKα","","0.039","0.0373","","","0.0978","0.0996","","","","","","1.031","","","","has coordinates","258021","2020-10-21","18:00:00",""
"7241278","13.24395","0.00006","15.4088","0.00009","18.44394","0.00011","90","","90.3886","0.0005","90","","3763.83","0.04","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C94 H80 N6 O6 -","- C94 H80 N6 O6 -","- C188 H160 N12 O12 -","2","1","","Sakagami, Ryoko; Saito, Yuuki; Mori, Ryuichi; Satake, Misa; Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Cylindrical macrocyclic compounds synthesized by connecting two bowl-shaped calix[3]aramide moieties: structures and chiroptical properties","RSC Advances","2020","10","57","34549","34555","10.1039/D0RA07060B","","","1.54187","CuKα","","0.0384","0.0367","","","0.0996","0.1012","","","","","","1.05","","","","has coordinates","259628","2020-12-06","14:55:12",""
"7241279","13.94016","0.00011","20.05398","0.00018","23.6535","0.0002","90","","90","","90","","6612.47","0.1","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C66 H51 N6 O6 -","- C66 H51 N6 O6 -","- C264 H204 N24 O24 -","4","1","","Sakagami, Ryoko; Saito, Yuuki; Mori, Ryuichi; Satake, Misa; Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Cylindrical macrocyclic compounds synthesized by connecting two bowl-shaped calix[3]aramide moieties: structures and chiroptical properties","RSC Advances","2020","10","57","34549","34555","10.1039/D0RA07060B","","","1.54187","CuKα","","0.0488","0.0443","","","0.1174","0.1209","","","","","","1.042","","","","has coordinates,has disorder","259628","2020-12-06","14:55:12",""
"7241280","15.6247","0.0001","16.1764","0.0001","27.9001","0.0002","90","","97.4931","0.0007","90","","6991.57","0.08","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C87 H72 N6 O6 -","- C87 H72 N6 O6 -","- C348 H288 N24 O24 -","4","1","","Sakagami, Ryoko; Saito, Yuuki; Mori, Ryuichi; Satake, Misa; Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Cylindrical macrocyclic compounds synthesized by connecting two bowl-shaped calix[3]aramide moieties: structures and chiroptical properties","RSC Advances","2020","10","57","34549","34555","10.1039/D0RA07060B","","","1.54187","CuKα","","0.0521","0.0443","","","0.1195","0.125","","","","","","1.027","","","","has coordinates,has disorder","259628","2020-12-06","14:55:12",""
"7241284","6.02107","0.00003","12.63736","0.00006","23.03193","0.0001","90","","90","","90","","1752.51","0.014","170","0.12","170","0.12","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H29 N O3 -","- C19 H29 N O3 -","- C76 H116 N4 O12 -","4","1","","Zhao, Ru; Zeng, Bing-Lin; Jia, Wen-Qiang; Zhao, Hong-Yi; Shen, Long-Ying; Wang, Xiao-Jian; Pan, Xian-Dao","LiCl-promoted amination of β-methoxy amides (γ-lactones)","RSC Advances","2020","10","57","34938","34942","10.1039/D0RA07170F","","x-ray","1.54184","CuKα","","0.03","0.0299","","","0.0773","0.0774","","","","","","1.092","","","","has coordinates","258063","2020-10-21","18:00:00",""
"7241286","22.951","0.005","10.686","0.002","16.444","0.003","90","","118.415","0.004","90","","3547.1","1.2","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H34 N6 Ni O10 -","- C38 H34 N6 Ni O10 -","- C152 H136 N24 Ni4 O40 -","4","0.5","","Zhu, Bin; Huang, Guimei; He, Yanni; Xie, Jisheng; He, Tao; Wang, Junli; Zong, Ziao","Synthesis and characterization of MOFs constructed from 5-(benzimidazole-1-yl)isophthalic acid and highly selective fluorescence detection of Fe(iii) and Cr(vi) in water","RSC Advances","2020","10","57","34943","34952","10.1039/D0RA06529C","","","0.71073","MoKα","","0.0714","0.0513","","","0.1154","0.1256","","","","","","1.075","","","","has coordinates","258062","2020-10-21","18:00:00",""
"7241287","10.947","0.0003","12.8845","0.0004","13.5188","0.0004","90","","109.207","0.001","90","","1800.64","0.09","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H8 Co N2 O4 -","- C15 H8 Co N2 O4 -","- C60 H32 Co4 N8 O16 -","4","1","","Zhu, Bin; Huang, Guimei; He, Yanni; Xie, Jisheng; He, Tao; Wang, Junli; Zong, Ziao","Synthesis and characterization of MOFs constructed from 5-(benzimidazole-1-yl)isophthalic acid and highly selective fluorescence detection of Fe(iii) and Cr(vi) in water","RSC Advances","2020","10","57","34943","34952","10.1039/D0RA06529C","","","0.71073","MoKα","","0.0747","0.0651","","","0.1603","0.1645","","","","","","1.039","","","","has coordinates","258062","2020-10-21","18:00:00",""
"7241288","11.1911","0.0004","13.766","0.0004","13.1938","0.0004","90","","108.267","0.001","90","","1930.16","0.11","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H8 Cd N2 O4 -","- C15 H8 Cd N2 O4 -","- C60 H32 Cd4 N8 O16 -","4","1","","Zhu, Bin; Huang, Guimei; He, Yanni; Xie, Jisheng; He, Tao; Wang, Junli; Zong, Ziao","Synthesis and characterization of MOFs constructed from 5-(benzimidazole-1-yl)isophthalic acid and highly selective fluorescence detection of Fe(iii) and Cr(vi) in water","RSC Advances","2020","10","57","34943","34952","10.1039/D0RA06529C","","","0.71073","MoKα","","0.053","0.0333","","","0.071","0.078","","","","","","1.052","","","","has coordinates","258062","2020-10-21","18:00:00",""
"7241289","21.655","0.0006","10.8019","0.0003","15.3693","0.0004","90","","108.469","0.001","90","","3409.95","0.16","170","","170.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 N4 O10 Zn2 -","- C34 H28 N4 O10 Zn2 -","- C136 H112 N16 O40 Zn8 -","4","1","","Zhu, Bin; Huang, Guimei; He, Yanni; Xie, Jisheng; He, Tao; Wang, Junli; Zong, Ziao","Synthesis and characterization of MOFs constructed from 5-(benzimidazole-1-yl)isophthalic acid and highly selective fluorescence detection of Fe(iii) and Cr(vi) in water","RSC Advances","2020","10","57","34943","34952","10.1039/D0RA06529C","","","0.71073","MoKα","","0.1023","0.0458","","","0.0954","0.1169","","","","","","1.106","","","","has coordinates,has disorder","258062","2020-10-21","18:00:00",""
"7241290","10.233","0.003","6.631","0.002","10.447","0.003","90","","95.3","0.005","90","","705.9","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- As2 Cd2 Cs2 S6 -","- As2 Cd2 Cs2 S6 -","- As4 Cd4 Cs4 S12 -","2","0.5","","Tian, Xin-Yu; Du, Cui-Xia; ZhaoRi, GeTu; SheLe, MuGe; Bao, Yongsheng; Baiyin, Menghe","The solvothermal synthesis and characterization of quaternary arsenic chalcogenides CsTMAsQ3 (TM = Hg, Cd; Q = S, Se) using Cs+ as a structure directing agent: from 1D anionic chains to 2D anionic layers","RSC Advances","2020","10","57","34903","34909","10.1039/D0RA05058J","","","0.71073","MoKα","","0.0386","0.0311","","","0.0886","0.0916","","","","","","1.09","","","","has coordinates","258061","2020-10-21","18:00:00",""
"7241291","6.957","0.005","14.917","0.011","7.415","0.006","90","","96.926","0.013","90","","763.9","1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- As Cs Hg Se3 -","- As Cs Hg Se3 -","- As4 Cs4 Hg4 Se12 -","4","1","","Tian, Xin-Yu; Du, Cui-Xia; ZhaoRi, GeTu; SheLe, MuGe; Bao, Yongsheng; Baiyin, Menghe","The solvothermal synthesis and characterization of quaternary arsenic chalcogenides CsTMAsQ3 (TM = Hg, Cd; Q = S, Se) using Cs+ as a structure directing agent: from 1D anionic chains to 2D anionic layers","RSC Advances","2020","10","57","34903","34909","10.1039/D0RA05058J","","","0.71073","MoKα","","0.0463","0.0357","","","0.0846","0.0879","","","","","","1.025","","","","has coordinates","258061","2020-10-21","18:00:00",""
"7241292","10.09","0.002","6.651","0.0016","10.428","0.003","90","","94.686","0.004","90","","697.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- As2 Cs2 Hg2 S6 -","- As2 Cs2 Hg2 S6 -","- As4 Cs4 Hg4 S12 -","2","0.5","","Tian, Xin-Yu; Du, Cui-Xia; ZhaoRi, GeTu; SheLe, MuGe; Bao, Yongsheng; Baiyin, Menghe","The solvothermal synthesis and characterization of quaternary arsenic chalcogenides CsTMAsQ3 (TM = Hg, Cd; Q = S, Se) using Cs+ as a structure directing agent: from 1D anionic chains to 2D anionic layers","RSC Advances","2020","10","57","34903","34909","10.1039/D0RA05058J","","","0.71073","MoKα","","0.0719","0.0666","","","0.171","0.1725","","","","","","1.18","","","","has coordinates","258061","2020-10-21","18:00:00",""
"7241293","10.428","0.006","6.869","0.005","10.794","0.007","90","","93.676","0.01","90","","771.6","0.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- As Cd Cs Se3 -","- As Cd Cs Se3 -","- As4 Cd4 Cs4 Se12 -","4","1","","Tian, Xin-Yu; Du, Cui-Xia; ZhaoRi, GeTu; SheLe, MuGe; Bao, Yongsheng; Baiyin, Menghe","The solvothermal synthesis and characterization of quaternary arsenic chalcogenides CsTMAsQ3 (TM = Hg, Cd; Q = S, Se) using Cs+ as a structure directing agent: from 1D anionic chains to 2D anionic layers","RSC Advances","2020","10","57","34903","34909","10.1039/D0RA05058J","","","0.71073","MoKα","","0.0854","0.0758","","","0.1663","0.1695","","","","","","1.085","","","","has coordinates","258061","2020-10-21","18:00:00",""
"7241297","10.2758","0.0006","14.8286","0.0008","18.2612","0.001","90","","99.346","0.003","90","","2745.6","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C50 H63 N8 O15 P S -","- C50 H63 N8 O15 P S -","- C100 H126 N16 O30 P2 S2 -","2","1","","Radzikowska, Ewa; Kaczmarek, Renata; Korczyński, Dariusz; Krakowiak, Agnieszka; Mikołajczyk, Barbara; Baraniak, Janina; Guga, Piotr; Wheeler, Kraig A.; Pawlak, Tomasz; Nawrot, Barbara","P-stereocontrolled synthesis of oligo(nucleoside N3′\ρightarrow O5′ phosphoramidothioate)s ‒ opportunities and limitations","RSC Advances","2020","10","58","35185","35197","10.1039/D0RA04987E","","x-ray","1.54178","CuKα","","0.1227","0.1196","","","0.3665","0.3702","","","","","","1.802","","","","has coordinates,has disorder","256707","2020-10-21","18:00:00",""
"7241298","12.53","0.006","12.767","0.006","15.21","0.007","90","","90","","90","","2433","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 Au Cl N2 -","- C25 H32 Au Cl N2 -","- C100 H128 Au4 Cl4 N8 -","4","1","","Zhan, Licheng; Zhang, Gengtao; Wang, Jiwei; Zhang, Jun","Syntheses of tetrahydroquinoline-based chiral carbene precursors and the related chiral NHC‒Au(i) complex","RSC Advances","2020","10","58","35253","35256","10.1039/D0RA07271K","","","0.71073","MoKα","","0.0386","0.033","","","0.0715","0.073","","","","","","0.974","","","","has coordinates","256708","2020-10-21","18:00:00",""
"7241305","12.0453","0.0014","20.437","0.002","13.1306","0.0016","90","","96.88","0.002","90","","3209.1","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 Bi4 I16 N4 O8 S2 -","- C24 H36 Bi4 I16 N4 O8 S2 -","- C48 H72 Bi8 I32 N8 O16 S4 -","2","0.5","","Ben Ali, Saida; Feki, Amal; Ferretti, Valeria; Nasri, Moncef; Belhouchet, Mohamed","Crystal structure, spectroscopic measurement, optical properties, thermal studies and biological activities of a new hybrid material containing iodide anions of bismuth(iii)","RSC Advances","2020","10","58","35174","35184","10.1039/D0RA05646D","","","0.71073","MoKα","","0.0559","0.0507","","","0.1241","0.1278","","","","","","1.1","","","","has coordinates","256760","2020-10-21","18:00:00",""
"7241320","8.2197","0.0002","10.4608","0.0002","14.4752","0.0003","77.0948","0.0008","79.6924","0.0008","81.5655","0.0009","1186.21","0.04","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H22 N2 O3 -","- C31 H22 N2 O3 -","- C62 H44 N4 O6 -","2","1","","Kadiyala, Veerabhushanam; Kumar, Perla Bharath; Sunil, Komalla; Raju, Chittala Emmaniel; Sridhar, Balasubramanian; Karunakar, Galla V.","Gold(iii) promoted formation of dihydroquinazolinones: double X‒H activation by gold","RSC Advances","2020","10","59","35681","35691","10.1039/D0RA06537D","","","0.71073","MoKα","","0.1111","0.0634","","","0.1459","0.1669","","","","","","1.021","","","","has coordinates","256823","2020-10-21","18:00:00",""
"7241321","9.1182","0.0006","13.8291","0.001","23.4126","0.0016","103.581","0.001","91.205","0.002","98.758","0.002","2831.3","0.3","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H26.5 N2 O4.5 -","- C35 H26.5 N2 O4.5 -","- C140 H106 N8 O18 -","4","2","","Kadiyala, Veerabhushanam; Kumar, Perla Bharath; Sunil, Komalla; Raju, Chittala Emmaniel; Sridhar, Balasubramanian; Karunakar, Galla V.","Gold(iii) promoted formation of dihydroquinazolinones: double X–H activation by gold","RSC Advances","2020","10","59","35681","35691","10.1039/D0RA06537D","","","0.71073","MoKα","","0.1601","0.0774","","","0.1557","0.2035","","","","","","1.037","","","","has coordinates","295543","2024-10-18","15:17:09",""
"7241335","8.4812","0.0018","24.898","0.005","7.7969","0.0016","90","","95.961","0.004","90","","1637.5","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 N18 O4 -","- C6 H16 N18 O4 -","- C24 H64 N72 O16 -","4","1","","Cong, Zhang; Xiang, Chen; Yongpeng, Hu; Yang, Bai; Zhaoqi, Guo; Daidi, Fan; Haixia, Ma","A series of guanidine salts of 3,6-bis-nitroguanyl-1,2,4,5-tetrazine: green nitrogen-rich gas-generating agent","RSC Advances","2020","10","60","36287","36294","10.1039/D0RA06766K","","","0.71073","MoKα","","0.1191","0.0552","","","0.0855","0.1047","","","","","","1.03","","","","has coordinates","256918","2020-10-21","18:00:00",""
"7241336","7.472","0.0016","7.8861","0.0016","8.2265","0.0018","80.222","0.004","64.653","0.003","84.717","0.004","431.61","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H18 N20 O4 -","- C6 H18 N20 O4 -","- C6 H18 N20 O4 -","1","0.5","","Cong, Zhang; Xiang, Chen; Yongpeng, Hu; Yang, Bai; Zhaoqi, Guo; Daidi, Fan; Haixia, Ma","A series of guanidine salts of 3,6-bis-nitroguanyl-1,2,4,5-tetrazine: green nitrogen-rich gas-generating agent","RSC Advances","2020","10","60","36287","36294","10.1039/D0RA06766K","","","0.71073","MoKα","","0.11","0.0713","","","0.1601","0.1844","","","","","","1.036","","","","has coordinates","256918","2020-10-21","18:00:00",""
"7241337","13.0663","0.0001","12.9391","0.0001","46.62","0.0005","90","","98.001","0.001","90","","7805.14","0.12","298","2","298.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","C84H98N8Zn","","- C84 H98 N8 Zn -","- C84 H98 N8 Zn -","- C336 H392 N32 Zn4 -","4","1","","Loke, Shiva K.; Pagadala, Eswar; Devaraju, S.; Srinivasadesikan, V.; Kottalanka, Ravi K.","New zinc complexes derived from “self-adaptable” acyclic diiminodipyrromethanes as potent catalysts for the reduction of curing temperature of bisphenol-A/F benzoxazines","RSC Advances","2020","10","60","36275","36286","10.1039/D0RA07837A","","x-ray","1.54184","CuKα","","0.0585","0.0553","","","0.1332","0.1361","","","","","","1.004","","","","has coordinates","256919","2020-10-21","18:00:00",""
"7241338","12.0275","0.0007","12.8465","0.0006","14.5982","0.0008","104.022","0.004","93.333","0.005","108.901","0.004","2047.3","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H53 N4 O2 -","- C44 H53 N4 O2 -","- C88 H106 N8 O4 -","2","1","","Loke, Shiva K.; Pagadala, Eswar; Devaraju, S.; Srinivasadesikan, V.; Kottalanka, Ravi K.","New zinc complexes derived from “self-adaptable” acyclic diiminodipyrromethanes as potent catalysts for the reduction of curing temperature of bisphenol-A/F benzoxazines","RSC Advances","2020","10","60","36275","36286","10.1039/D0RA07837A","","","0.71073","MoKα","","0.1384","0.0744","","","0.1677","0.2128","","","","","","1.042","","","","has coordinates,has disorder","256919","2020-10-21","18:00:00",""
"7241339","11.8769","0.0003","13.4192","0.0004","17.2498","0.0004","85.646","0.002","89.156","0.002","73.944","0.003","2634.32","0.13","298.15","","298.15","","","","","","","","","5","P -1","-P 1","2","","ZnCl2N4C63H54","","- C63 H54 Cl2 N4 Zn -","- C63 H54 Cl2 N4 Zn -","- C126 H108 Cl4 N8 Zn2 -","2","1","","Loke, Shiva K.; Pagadala, Eswar; Devaraju, S.; Srinivasadesikan, V.; Kottalanka, Ravi K.","New zinc complexes derived from “self-adaptable” acyclic diiminodipyrromethanes as potent catalysts for the reduction of curing temperature of bisphenol-A/F benzoxazines","RSC Advances","2020","10","60","36275","36286","10.1039/D0RA07837A","","x-ray","1.54184","CuKα","","0.0642","0.0576","","","0.1512","0.156","","","","","","1.0445","","","","has coordinates","256919","2020-10-21","18:00:00",""
"7241347","13.7013","0.0006","6.4058","0.0004","17.3373","0.001","90","","96.021","0.005","90","","1513.26","0.15","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H33 N6 O8 P -","- C28 H33 N6 O8 P -","- C56 H66 N12 O16 P2 -","2","1","","Li, Long; Yin, Xian-Hong; Diao, Kai-Sheng","Improving the solubility and bioavailability of anti-hepatitis B drug PEC via PEC‒fumaric acid cocrystal","RSC Advances","2020","10","59","36125","36134","10.1039/D0RA06608G","","x-ray","0.71073","MoKα","","0.0596","0.0456","","","0.0985","0.1093","","","","","","1.024","","","","has coordinates","256974","2020-10-21","18:00:00",""
"7241371","14.5546","0.0002","4.9907","0.0005","17.1813","0.0003","90","","113.268","0.002","90","","1146.5","0.12","160","1","160","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 N3 O S2 -","- C11 H9 N3 O S2 -","- C44 H36 N12 O4 S8 -","4","1","","Al-Wahaibi, Lamya H.; Chakraborty, Kushumita; Al-Shaalan, Nora H.; Syed Majeed, Mohamed Yehya Annavi; Blacque, Olivier; Al-Mutairi, Aamal A.; El-Emam, Ali A.; Percino, M. Judith; Thamotharan, Subbiah","Quantitative analysis of hydrogen and chalcogen bonds in two pyrimidine-5-carbonitrile derivatives, potential DHFR inhibitors: an integrated crystallographic and theoretical study","RSC Advances","2020","10","60","36806","36817","10.1039/D0RA07215J","","","1.54184","CuKα","","0.027","0.0249","","","0.0674","0.0687","","","","","","1.064","","","","has coordinates","258222","2020-10-21","18:00:00",""
"7241372","4.6908","0.0002","9.2376","0.0003","14.6613","0.0003","94.308","0.002","93.766","0.002","100.924","0.003","619.95","0.04","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 N3 O S -","- C13 H11 N3 O S -","- C26 H22 N6 O2 S2 -","2","1","","Al-Wahaibi, Lamya H.; Chakraborty, Kushumita; Al-Shaalan, Nora H.; Syed Majeed, Mohamed Yehya Annavi; Blacque, Olivier; Al-Mutairi, Aamal A.; El-Emam, Ali A.; Percino, M. Judith; Thamotharan, Subbiah","Quantitative analysis of hydrogen and chalcogen bonds in two pyrimidine-5-carbonitrile derivatives, potential DHFR inhibitors: an integrated crystallographic and theoretical study","RSC Advances","2020","10","60","36806","36817","10.1039/D0RA07215J","","","1.54184","CuKα","","0.0383","0.0327","","","0.0859","0.0888","","","","","","1.024","","","","has coordinates,has disorder","258222","2020-10-21","18:00:00",""
"7241390","13.1097","0.0007","8.0041","0.0005","14.2334","0.0008","90","","117.105","0.003","90","","1329.5","0.14","293.15","","293.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O4 -","- C16 H14 O4 -","- C64 H56 O16 -","4","1","","Du, Yanqing; Liang, Fengying; Hu, Mixia; Bu, Ren; Wang, Meiling; Tsuda, Akihiko; Eerdun, Chaolu","Hydroxychalcone dyes that serve as color indicators for pH and fluoride ions","RSC Advances","2020","10","61","37463","37472","10.1039/D0RA06719A","","","1.54178","CuKα","","0.079","0.0605","","","0.1583","0.1716","","","","","","1.061","","","","has coordinates","258326","2020-10-21","18:00:00",""
"7241402","9.3081","0.0002","9.3081","0.0002","6.67419","0.00018","90","","90","","120","","500.78","0.02","293","","293","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Dy4 Mg O13 Si3 -","- Dy4 Mg O13 Si3 -","- Dy8 Mg2 O26 Si6 -","2","0.166667","","Kazin, Pavel E.; Zykin, Mikhail A.; Trusov, Lev A.; Vasiliev, Alexander V.; Kremer, Reinhard K.; Dinnebier, Robert E.; Jansen, Martin","Dysprosium magnesium silicate apatite featuring field and temperature stable slow magnetization relaxation","RSC Advances","2020","10","62","37588","37595","10.1039/D0RA07069F","powder diffraction","x-ray","1.5406","CuKalpha1","","0.0294","0.0282","","0.0318","0.0317","","","","1.43","","","","","","","has coordinates","258418","2020-10-21","18:00:00",""
"7241403","21.8709","0.0008","6.3608","0.0003","25.3626","0.0009","90","","113.674","0.0019","90","","3231.4","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 F12 Fe N6 P2 S6 -","- C18 H30 F12 Fe N6 P2 S6 -","- C72 H120 F48 Fe4 N24 P8 S24 -","4","1","","Colston, Kyle J.; Dille, Sara A.; Mogesa, Benjamin; Brant, Jacilynn; Nemykin, Victor N.; Zeller, Matthias; Basu, Partha","Syntheses, spectroscopic, redox, and structural properties of homoleptic Iron(III/II) dithione complexes","RSC Advances","2020","10","63","38294","38303","10.1039/D0RA07371G","","","0.71073","MoKα","","0.0769","0.0525","","","0.1374","0.1508","","","","","","1.082","","","","has coordinates,has disorder","258446","2020-10-21","18:00:00",""
"7241404","11.227","0.0005","11.927","0.0005","27.9572","0.0012","90","","90","","90","","3743.6","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","trans communic acid","trans communic acid","","- C20 H30 O2 -","- C20 H30 O2 -","- C160 H240 O16 -","8","2","","Colston, Kyle J.; Dille, Sara A.; Mogesa, Benjamin; Brant, Jacilynn; Nemykin, Victor N.; Zeller, Matthias; Basu, Partha","Syntheses, spectroscopic, redox, and structural properties of homoleptic Iron(III/II) dithione complexes","RSC Advances","2020","10","63","38294","38303","10.1039/D0RA07371G","","","1.54178","CuKα","","0.0538","0.0488","","","0.1306","0.1374","","","","","","1.075","","","","has coordinates","258446","2020-10-21","18:00:00",""
"7241405","13.7287","0.0013","18.656","0.002","7.4592","0.0007","90","","105.962","0.006","90","","1836.8","0.3","210","2","210","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C88 H88 N8 O16 -","4","1","","Liu, Xiling; Gu, Fangyuan; Zhou, Xinyi; Zhou, Wei; Zhang, Shuping; Cui, Lei; Guo, Ting","A naphthalimide-based turn-on fluorescence probe for peroxynitrite detection and imaging in living cells","RSC Advances","2020","10","63","38281","38286","10.1039/D0RA06564A","","","1.34139","GaKα","","0.1473","0.0616","","","0.1407","0.1823","","","","","","0.96","","","","has coordinates","258447","2020-10-21","18:00:00",""
"7241406","6.1241","0.0002","12.8424","0.0003","20.6476","0.0004","90","","90.852","0.002","90","","1623.72","0.07","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[La2(H2O)2(nmp)2(C6H2N2O4)3]","","- C28 H28 La2 N8 O16 -","- C28 H28 La2 N8 O16 -","- C56 H56 La4 N16 O32 -","2","0.5","","Barsukova, Marina O.; Cherezova, Sofia V.; Sapianik, Aleksandr A.; Lundovskaya, Olga V.; Samsonenko, Denis G.; Fedin, Vladimir P.","Lanthanide contraction effect and white-emitting luminescence in a series of metal‒organic frameworks based on 2,5-pyrazinedicarboxylic acid","RSC Advances","2020","10","63","38252","38259","10.1039/D0RA08485A","","x-ray","0.71073","MoKα","","0.0322","0.0285","","","0.0685","0.07","","","","","","1.097","","","","has coordinates,has disorder","258448","2020-10-21","18:00:00",""
"7241407","6.0453","0.0002","12.686","0.0005","13.2051","0.0005","62.174","0.004","86.835","0.003","87.582","0.003","894.09","0.07","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","[Y2(H2O)4(C6H2N2O4)3]*NMP*5H2O","","- C23 H33 N7 O22 Y2 -","- C18 H18 N6 O18 Y2 -","- C18 H18 N6 O18 Y2 -","1","0.5","","Barsukova, Marina O.; Cherezova, Sofia V.; Sapianik, Aleksandr A.; Lundovskaya, Olga V.; Samsonenko, Denis G.; Fedin, Vladimir P.","Lanthanide contraction effect and white-emitting luminescence in a series of metal‒organic frameworks based on 2,5-pyrazinedicarboxylic acid","RSC Advances","2020","10","63","38252","38259","10.1039/D0RA08485A","","x-ray","0.71073","MoKα","","0.0449","0.0378","","","0.0871","0.0896","","","","","","1.065","","","","has coordinates","258448","2020-10-21","18:00:00",""
"7241417","8.3923","0.0009","12.7253","0.0014","14.656","0.0015","90","","90.072","0.002","90","","1565.2","0.3","298","2","298","2","","","","","","","synthesis","6","P 1 21/c 1","-P 2ybc","14","","((E)-1-(2,6-dichlorophenyl)-3-((methylselanyl)methylene)indolin-2-one","","- C16 H11 Cl2 N O Se -","- C16 H11 Cl2 N O Se -","- C64 H44 Cl8 N4 O4 Se4 -","4","1","","Ruberte, Ana Carolina; Aydillo, Carlos; Sharma, Arun K.; Sanmartín, Carmen; Plano, Daniel","Vilsmeier reagent, NaHSe and diclofenac acid chloride: one-pot synthesis of a novel selenoindolinone with potent anticancer activity","RSC Advances","2020","10","63","38404","38408","10.1039/D0RA07332F","","x-ray","0.71073","MoKα","","0.0531","0.0365","","","0.0966","0.1049","","","","","","1.037","","","","has coordinates","258491","2020-10-21","18:00:00",""
"7241418","17.2953","0.0007","13.8502","0.0005","20.9305","0.0007","90","","90","","90","","5013.8","0.3","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H23 Br Cl3 N7 O -","- C23 H23 Br Cl3 N7 O -","- C184 H184 Br8 Cl24 N56 O8 -","8","1","","Nandikolla, Adinarayana; Srinivasarao, Singireddi; Karan Kumar, Banoth; Murugesan, Sankaranarayanan; Aggarwal, Himanshu; Major, Louise L.; Smith, Terry K.; Chandra Sekhar, Kondapalli Venkata Gowri","Synthesis, study of antileishmanial and antitrypanosomal activity of imidazo pyridine fused triazole analogues","RSC Advances","2020","10","63","38328","38343","10.1039/D0RA07881F","","x-ray","0.71073","MoKα","","0.0411","0.0292","","","0.0725","0.0791","","","","","","1.0393","","","","has coordinates,has disorder","258492","2020-10-21","18:00:00",""
"7241421","8.8768","0.0017","8.8907","0.0018","9.3073","0.0018","87.751","0.003","68.299","0.002","82.837","0.003","677.1","0.2","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C31 H26 Cl Cu N3 P -","- C31 H26 Cl Cu N3 P -","- C31 H26 Cl Cu N3 P -","1","1","","Li, Si-Jia; Huang, Jian; He, Jin-Yu; Zhang, Rui-Jin; Qian, Hao-Dong; Dai, Xue-Lin; Kong, Han-Han; Xu, Hao","Highly enantioselective copper-catalyzed propargylic amination to access N-tethered 1,6-enynes","RSC Advances","2020","10","63","38478","38483","10.1039/D0RA07698H","","","0.71073","MoKα","","0.0443","0.036","","","0.0894","0.093","","","","","","0.999","","","","has coordinates","258506","2020-10-21","04:06:08",""
"7241422","28.442","0.001","11.1139","0.0004","11.4467","0.0004","90","","90.78","0.002","90","","3618","0.2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Methyl-2-(1-(4-(methylsulfonyl)phenyl)-3-phenyl-1H-pyrazol-5-yl)acetate","","- C19 H18 N2 O4 S -","- C19 H18 N2 O4 S -","- C152 H144 N16 O32 S8 -","8","1","","Laube, Markus; Gassner, Cemena; Neuber, Christin; Wodtke, Robert; Ullrich, Martin; Haase-Kohn, Cathleen; Löser, Reik; Köckerling, Martin; Kopka, Klaus; Kniess, Torsten; Hey-Hawkins, Evamarie; Pietzsch, Jens","Deuteration versus ethylation ‒ strategies to improve the metabolic fate of an 18F-labeled celecoxib derivative","RSC Advances","2020","10","63","38601","38611","10.1039/D0RA04494F","","","0.71073","MoKα","","0.0445","0.0358","","","0.1041","0.1124","","","","","","1.033","","","","has coordinates","258507","2020-10-21","04:06:41",""
"7241423","11.2831","0.0003","11.9926","0.0003","14.2709","0.0004","92.663","0.001","105.904","0.001","115.409","0.001","1647.31","0.08","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","3-(2-Fluoroethyl)-1-(4-(methylsulfonyl)phenyl)-5-phenyl-1H-pyrazole","","- C18 H17 F N2 O2 S -","- C18 H17 F N2 O2 S -","- C72 H68 F4 N8 O8 S4 -","4","2","","Laube, Markus; Gassner, Cemena; Neuber, Christin; Wodtke, Robert; Ullrich, Martin; Haase-Kohn, Cathleen; Löser, Reik; Köckerling, Martin; Kopka, Klaus; Kniess, Torsten; Hey-Hawkins, Evamarie; Pietzsch, Jens","Deuteration versus ethylation ‒ strategies to improve the metabolic fate of an 18F-labeled celecoxib derivative","RSC Advances","2020","10","63","38601","38611","10.1039/D0RA04494F","","","0.71073","MoKα","","0.0491","0.0391","","","0.1069","0.1149","","","","","","1.032","","","","has coordinates,has disorder","258507","2020-10-21","04:06:44",""
"7241424","8.4964","0.0004","14.0972","0.0006","11.1992","0.0005","90","","95.924","0.004","90","","1334.23","0.1","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C56 H60 N12 O16 -","4","1","","Pisk, Jana; Đilović, Ivica; Hrenar, Tomica; Cvijanović, Danijela; Pavlović, Gordana; Vrdoljak, Višnja","Effective methods for the synthesis of hydrazones, quinazolines, and Schiff bases: reaction monitoring using a chemometric approach","RSC Advances","2020","10","63","38566","38577","10.1039/D0RA06845D","","x-ray","0.71073","MoKα","","0.0477","0.039","","","0.1024","0.1083","","","","","","1.02","","","","has coordinates","258508","2020-10-21","04:08:27",""
"7241425","15.8673","0.0007","10.0421","0.0004","24.2618","0.0012","90","","91.637","0.004","90","","3864.3","0.3","296.15","","293.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H21 N3 O6 -","- C22 H21 N3 O6 -","- C176 H168 N24 O48 -","8","1","","Pisk, Jana; Đilović, Ivica; Hrenar, Tomica; Cvijanović, Danijela; Pavlović, Gordana; Vrdoljak, Višnja","Effective methods for the synthesis of hydrazones, quinazolines, and Schiff bases: reaction monitoring using a chemometric approach","RSC Advances","2020","10","63","38566","38577","10.1039/D0RA06845D","","x-ray","0.71073","MoKα","","0.0927","0.0595","","","0.1282","0.1445","","","","","","1.013","","","","has coordinates,has disorder","258508","2020-10-21","04:08:29",""
"7241426","8.3319","0.0003","12.7546","0.0006","12.3732","0.0007","90","","99.089","0.004","90","","1298.39","0.11","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N3 O4 -","- C13 H13 N3 O4 -","- C52 H52 N12 O16 -","4","1","","Pisk, Jana; Đilović, Ivica; Hrenar, Tomica; Cvijanović, Danijela; Pavlović, Gordana; Vrdoljak, Višnja","Effective methods for the synthesis of hydrazones, quinazolines, and Schiff bases: reaction monitoring using a chemometric approach","RSC Advances","2020","10","63","38566","38577","10.1039/D0RA06845D","","x-ray","0.71073","MoKα","","0.0813","0.0461","","","0.0895","0.1021","","","","","","1.017","","","","has coordinates","258508","2020-10-21","04:08:29",""
"7241427","15.2515","0.0004","6.7577","0.0002","13.2137","0.0003","90","","101.876","0.002","90","","1332.72","0.06","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O5 -","- C14 H14 N2 O5 -","- C56 H56 N8 O20 -","4","1","","Pisk, Jana; Đilović, Ivica; Hrenar, Tomica; Cvijanović, Danijela; Pavlović, Gordana; Vrdoljak, Višnja","Effective methods for the synthesis of hydrazones, quinazolines, and Schiff bases: reaction monitoring using a chemometric approach","RSC Advances","2020","10","63","38566","38577","10.1039/D0RA06845D","","x-ray","1.54184","CuKα","","0.0549","0.0499","","","0.1444","0.1531","","","","","","1.035","","","","has coordinates","258508","2020-10-21","04:08:29",""
"7241428","24.7572","0.0013","7.6282","0.0005","13.3499","0.0006","90","","90","","90","","2521.2","0.2","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N3 O3 -","- C14 H13 N3 O3 -","- C112 H104 N24 O24 -","8","1","","Pisk, Jana; Đilović, Ivica; Hrenar, Tomica; Cvijanović, Danijela; Pavlović, Gordana; Vrdoljak, Višnja","Effective methods for the synthesis of hydrazones, quinazolines, and Schiff bases: reaction monitoring using a chemometric approach","RSC Advances","2020","10","63","38566","38577","10.1039/D0RA06845D","","x-ray","0.71073","MoKα","","0.0986","0.0511","","","0.0894","0.1052","","","","","","0.899","","","","has coordinates","258508","2020-10-21","04:08:30",""
"7241429","9.788","0.002","8.4727","0.001","18.273","0.003","90","","103.86","0.02","90","","1471.3","0.4","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N3 O4 -","- C15 H17 N3 O4 -","- C60 H68 N12 O16 -","4","1","","Pisk, Jana; Đilović, Ivica; Hrenar, Tomica; Cvijanović, Danijela; Pavlović, Gordana; Vrdoljak, Višnja","Effective methods for the synthesis of hydrazones, quinazolines, and Schiff bases: reaction monitoring using a chemometric approach","RSC Advances","2020","10","63","38566","38577","10.1039/D0RA06845D","","x-ray","0.71073","MoKα","","0.1854","0.0815","","","0.1226","0.1578","","","","","","0.991","","","","has coordinates","258508","2020-10-21","04:08:30",""
"7241430","39.4655","0.0016","5.4865","0.0003","16.4148","0.0007","90","","95.157","0.004","90","","3539.9","0.3","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H17 N3 O5 -","- C21 H17 N3 O5 -","- C168 H136 N24 O40 -","8","1","","Pisk, Jana; Đilović, Ivica; Hrenar, Tomica; Cvijanović, Danijela; Pavlović, Gordana; Vrdoljak, Višnja","Effective methods for the synthesis of hydrazones, quinazolines, and Schiff bases: reaction monitoring using a chemometric approach","RSC Advances","2020","10","63","38566","38577","10.1039/D0RA06845D","","x-ray","1.54184","CuKα","","0.0573","0.0439","","","0.1273","0.1402","","","","","","1.054","","","","has coordinates","258508","2020-10-21","04:08:30",""
"7241431","6.5511","0.0006","22.351","0.003","9.0707","0.0012","90","","97.757","0.011","90","","1316","0.3","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N3 O3 -","- C14 H13 N3 O3 -","- C56 H52 N12 O12 -","4","1","","Pisk, Jana; Đilović, Ivica; Hrenar, Tomica; Cvijanović, Danijela; Pavlović, Gordana; Vrdoljak, Višnja","Effective methods for the synthesis of hydrazones, quinazolines, and Schiff bases: reaction monitoring using a chemometric approach","RSC Advances","2020","10","63","38566","38577","10.1039/D0RA06845D","","x-ray","0.71073","MoKα","","0.1038","0.0586","","","0.143","0.1809","","","","","","1.01","","","","has coordinates","258508","2020-10-21","04:08:31",""
"7241432","24.7095","0.0014","10.1996","0.0007","20.762","0.0014","90","","99.252","0.005","90","","5164.5","0.6","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O3 -","- C14 H13 N3 O3 -","- C224 H208 N48 O48 -","16","4","","Pisk, Jana; Đilović, Ivica; Hrenar, Tomica; Cvijanović, Danijela; Pavlović, Gordana; Vrdoljak, Višnja","Effective methods for the synthesis of hydrazones, quinazolines, and Schiff bases: reaction monitoring using a chemometric approach","RSC Advances","2020","10","63","38566","38577","10.1039/D0RA06845D","","x-ray","0.71073","MoKα","","0.1312","0.0598","","","0.1132","0.1427","","","","","","0.985","","","","has coordinates","258508","2020-10-21","04:08:31",""
"7241433","8.056","0.007","9.746","0.009","10.356","0.01","116.09","0.017","91.31","0.017","108.693","0.016","678.8","1.1","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H11 F3 O2 -","- C16 H11 F3 O2 -","- C32 H22 F6 O4 -","2","1","","Jha, Babli K.; Prudhviraj, Jaggaraju; Mainkar, Prathama S.; Punna, Nagender; Chandrasekhar, Srivari","Diastereoselective synthesis of CF3-dihydrobenzofurans by [4+1] annulation of in situ-generated CF3-o-quinone methides and sulfur ylides","RSC Advances","2020","10","63","38588","38591","10.1039/D0RA08289A","","","0.71073","MoKα","","0.0722","0.0538","","","0.1353","0.1524","","","","","","1.049","","","","has coordinates","258509","2020-10-21","04:09:30",""
"7241624","10.7532","0.0004","22.6105","0.0009","13.3665","0.0006","90","","93.588","0.004","90","","3243.5","0.2","100","0.11","100","0.11","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H36 Cl N3 O6 -","- C33 H36 Cl N3 O6 -","- C132 H144 Cl4 N12 O24 -","4","2","","Cheng, Cheng; Li, Ying-Xian; Jia, Xue-Min; Zhang, Ji-Quan; Zhao, Yong-Long; Feng, Wei; Tang, Lei; Yang, Yuan-Yong","Enantioselective amination of 4-alkylisoquinoline-1,3(2H,4H)-dione derivatives","RSC Advances","2020","10","70","42912","42915","10.1039/D0RA07806A","","x-ray","1.54184","CuKα","","0.0785","0.075","","","0.2168","0.2191","","","","","","1.061","","","","has coordinates","259345","2020-11-30","04:58:26",""
"7241625","13.7938","0.0002","14.3012","0.0002","19.4614","0.0002","78.627","0.001","72.479","0.001","74.717","0.001","3502.43","0.08","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C82 H96 N6 O -","- C82 H96 N6 O -","- C164 H192 N12 O2 -","2","1","","Kinney, Zacharias J.; Rheingold, Arnold L.; Protasiewicz, John D.","Preferential N‒H⋯:C hydrogen bonding involving ditopic NH-containing systems and N-heterocyclic carbenes","RSC Advances","2020","10","69","42164","42171","10.1039/D0RA08490E","","x-ray","1.54178","CuKα","","0.0505","0.0453","","","0.1199","0.1249","","","","","","1.045","","","","has coordinates","259346","2020-11-30","04:59:06",""
"7241626","12.2815","0.0002","10.7523","0.0003","23.4308","0.0004","90","","94.34","0.001","90","","3085.27","0.11","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C72 H88 N6 -","- C72 H88 N6 -","- C144 H176 N12 -","2","0.5","","Kinney, Zacharias J.; Rheingold, Arnold L.; Protasiewicz, John D.","Preferential N‒H⋯:C hydrogen bonding involving ditopic NH-containing systems and N-heterocyclic carbenes","RSC Advances","2020","10","69","42164","42171","10.1039/D0RA08490E","","x-ray","1.54178","CuKα","","0.0599","0.0489","","","0.1226","0.1307","","","","","","1.025","","","","has coordinates,has disorder","259346","2020-11-30","04:59:06",""
"7241627","9.7054","0.0002","9.9914","0.0002","17.4974","0.0003","98.095","0.001","90.767","0.001","90.03","0.001","1679.67","0.06","100","","100","","","","","","","","","3","P 1","P 1","1","","","","- C24 H18 N2 -","- C24 H18 N2 -","- C96 H72 N8 -","4","4","","Kinney, Zacharias J.; Rheingold, Arnold L.; Protasiewicz, John D.","Preferential N‒H⋯:C hydrogen bonding involving ditopic NH-containing systems and N-heterocyclic carbenes","RSC Advances","2020","10","69","42164","42171","10.1039/D0RA08490E","","x-ray","1.54178","CuKα","","0.0472","0.0422","","","0.1124","0.1157","","","","","","1.054","","","","has coordinates","259346","2020-11-30","04:59:06",""
"7241628","14.469","0.0008","8.495","0.0005","16.6496","0.001","90","","103.033","0.002","90","","1993.8","0.2","100","2","100","2","","","","","","","Streptomyces sp. DASNCL29","3","P 1 21 1","P 2yb","4","","Nigericin","","- C40 H66 O11 -","- C40 H68 O11 -","- C80 H136 O22 -","2","1","","Sahu, Amit Kumar; Said, Madhukar S.; Hingamire, Tejashri; Gaur, Megha; Khan, Abujunaid; Shanmugam, Dhanasekaran; Barvkar, Vitthal T.; Dharne, Mahesh S.; Bharde, Atul A.; Dastager, Syed G.","Approach to nigericin derivatives and their therapeutic potential","RSC Advances","2020","10","70","43085","43091","10.1039/D0RA05137C","","","0.71073","MoKα","","0.0555","0.045","","","0.1019","0.1077","","","","","","1.046","","","","has coordinates","259347","2020-11-30","04:59:49",""
"7241629","12.0282","0.0003","14.464","0.0004","24.0974","0.0008","90","","90","","90","","4192.4","0.2","100","2","100","2","","","","","","","Streptomyces sp DASNCL29","3","P 21 21 21","P 2ac 2ab","19","","NIGERICIN","","- C40 H68 O11 -","- C40 H70 O12 -","- C160 H280 O48 -","4","1","","Sahu, Amit Kumar; Said, Madhukar S.; Hingamire, Tejashri; Gaur, Megha; Khan, Abujunaid; Shanmugam, Dhanasekaran; Barvkar, Vitthal T.; Dharne, Mahesh S.; Bharde, Atul A.; Dastager, Syed G.","Approach to nigericin derivatives and their therapeutic potential","RSC Advances","2020","10","70","43085","43091","10.1039/D0RA05137C","","","0.71073","MoKα","","0.0428","0.0416","","","0.1238","0.125","","","","","","1.197","","","","has coordinates","259347","2020-11-30","04:59:50",""
"7241630","9.46352","0.00014","12.66738","0.00018","12.98267","0.00014","116.784","0.0013","100.583","0.0012","98.7407","0.0012","1315.96","0.04","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C64 H54 P4 Ru S2 -","- C64 H54 P4 Ru S2 -","- C64 H54 P4 Ru S2 -","1","0.5","","Kuhrt, Robert; Ho, Po-Yuen; Hantusch, Martin; Lissel, Franziska; Blacque, Olivier; Knupfer, Martin; Büchner, Bernd","Synthesis and charge transfer characteristics of a ruthenium‒acetylide complex","RSC Advances","2020","10","70","43242","43247","10.1039/D0RA08390A","","x-ray","1.54184","CuKα","","0.0254","0.025","","","0.0641","0.0643","","","","","","1.049","","","","has coordinates,has disorder","259348","2020-11-30","05:00:12",""
"7241631","9.7692","0.0018","6.5564","0.0012","19.064","0.004","90","","91.926","0.007","90","","1220.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 Cu2 N2 O10 -","- C22 H26 Cu2 N2 O10 -","- C44 H52 Cu4 N4 O20 -","2","0.5","","Su, Hao; Li, Zhongkui; Tan, Junrui; Ma, Hongwei; Yan, Li; Li, Hui","Structural conversion of three copper(ii) complexes with snapshot observations based on the different crystal colours and morphology","RSC Advances","2020","10","70","42964","42970","10.1039/D0RA07231A","","","0.71073","MoKα","","0.0632","0.0367","","","0.0768","0.0841","","","","","","1.081","","","","has coordinates","259349","2020-11-30","05:00:49",""
"7241632","9.735","0.002","8.646","0.002","13.038","0.003","90","","96.096","0.007","90","","1091.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cu2 N2 O10 -","- C20 H22 Cu2 N2 O10 -","- C40 H44 Cu4 N4 O20 -","2","0.5","","Su, Hao; Li, Zhongkui; Tan, Junrui; Ma, Hongwei; Yan, Li; Li, Hui","Structural conversion of three copper(ii) complexes with snapshot observations based on the different crystal colours and morphology","RSC Advances","2020","10","70","42964","42970","10.1039/D0RA07231A","","","0.71073","MoKα","","0.1399","0.0778","","","0.1955","0.2237","","","","","","1.038","","","","has coordinates","259349","2020-11-30","05:00:50",""
"7241633","7.4851","0.0004","13.4109","0.0007","21.5161","0.0011","90","","90","","90","","2159.8","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H11 Cu N O5 -","- C10 H11 Cu N O5 -","- C80 H88 Cu8 N8 O40 -","8","1","","Su, Hao; Li, Zhongkui; Tan, Junrui; Ma, Hongwei; Yan, Li; Li, Hui","Structural conversion of three copper(ii) complexes with snapshot observations based on the different crystal colours and morphology","RSC Advances","2020","10","70","42964","42970","10.1039/D0RA07231A","","","0.71073","MoKα","","0.0471","0.0385","","","0.1115","0.1167","","","","","","1.062","","","","has coordinates","259349","2020-11-30","05:00:50",""
"7241634","5.8738","0.0002","9.4468","0.0004","13.2892","0.0005","90","","90.263","0.003","90","","737.39","0.05","293","","293","","","","","","","","Synthetic","4","P 1 c 1","P -2yc","7","","","","- C19 H17 N O -","- C19 H17 N O -","- C38 H34 N2 O2 -","2","1","","Merchán-Arenas, Diego R.; Sojo, Felipe; Arvelo, Francisco; Kouznetsov, Vladimir V.","Synthesis of dihydroisoindolo[2,1-a]quinolin-11-ones, their in silico ADMET properties and in vitro antitumor activities","RSC Advances","2020","10","69","42287","42296","10.1039/D0RA04555A","","x-ray","1.54184","CuKα","","0.0526","0.0447","","","0.1158","0.123","","","","","","1.068","","","","has coordinates","259350","2020-11-30","05:01:19",""
"7241653","10.8316","0.0006","13.2433","0.0008","14.1413","0.0009","65.148","0.003","89.961","0.003","71.017","0.003","1718.55","0.19","99.99","","99.99","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H36 N2 Ni O4 P2 S4 -","- C32 H36 N2 Ni O4 P2 S4 -","- C64 H72 N4 Ni2 O8 P4 S8 -","2","1","","Yusuf, Tunde L.; Quadri, Taiwo W.; Tolufashe, Gideon F.; Olasunkanmi, Lukman O.; Ebenso, Eno E.; van Zyl, Werner E.","Synthesis and structures of divalent Co, Ni, Zn and Cd complexes of mixed dichalcogen and dipnictogen ligands with corrosion inhibition properties: experimental and computational studies","RSC Advances","2020","10","69","41967","41982","10.1039/D0RA07770D","","x-ray","0.71073","MoKα","","0.0611","0.0562","","","0.1379","0.1413","","","","","","1.112","","","","has coordinates","259575","2020-12-06","08:33:56",""
"7241654","10.8831","0.0002","12.4185","0.0002","14.1718","0.0003","91.535","0.001","97.539","0.001","109.807","0.001","1781.23","0.06","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H36 Co N2 O4 P2 S4 -","- C32 H36 Co N2 O4 P2 S4 -","- C64 H72 Co2 N4 O8 P4 S8 -","2","1","","Yusuf, Tunde L.; Quadri, Taiwo W.; Tolufashe, Gideon F.; Olasunkanmi, Lukman O.; Ebenso, Eno E.; van Zyl, Werner E.","Synthesis and structures of divalent Co, Ni, Zn and Cd complexes of mixed dichalcogen and dipnictogen ligands with corrosion inhibition properties: experimental and computational studies","RSC Advances","2020","10","69","41967","41982","10.1039/D0RA07770D","","x-ray","0.71073","MoKα","","0.0346","0.0268","","","0.0623","0.0666","","","","","","1.043","","","","has coordinates","259575","2020-12-06","08:33:57",""
"7241655","22.977","0.0004","10.7463","0.0002","15.6178","0.0003","90","","113.004","0.001","90","","3549.65","0.12","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H36 Co N2 O4 P2 S4 -","- C32 H36 Co N2 O4 P2 S4 -","- C128 H144 Co4 N8 O16 P8 S16 -","4","0.5","","Yusuf, Tunde L.; Quadri, Taiwo W.; Tolufashe, Gideon F.; Olasunkanmi, Lukman O.; Ebenso, Eno E.; van Zyl, Werner E.","Synthesis and structures of divalent Co, Ni, Zn and Cd complexes of mixed dichalcogen and dipnictogen ligands with corrosion inhibition properties: experimental and computational studies","RSC Advances","2020","10","69","41967","41982","10.1039/D0RA07770D","","x-ray","0.71073","MoKα","","0.0247","0.0226","","","0.0614","0.0629","","","","","","1.05","","","","has coordinates","259575","2020-12-06","08:33:57",""
"7241656","49.6546","0.001","11.0919","0.0002","34.707","0.0007","90","","112.976","0.001","90","","17598.9","0.6","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H36 Cd N2 O4 P2 S4 -","- C32 H36 Cd N2 O4 P2 S4 -","- C640 H720 Cd20 N40 O80 P40 S80 -","20","2.5","","Yusuf, Tunde L.; Quadri, Taiwo W.; Tolufashe, Gideon F.; Olasunkanmi, Lukman O.; Ebenso, Eno E.; van Zyl, Werner E.","Synthesis and structures of divalent Co, Ni, Zn and Cd complexes of mixed dichalcogen and dipnictogen ligands with corrosion inhibition properties: experimental and computational studies","RSC Advances","2020","10","69","41967","41982","10.1039/D0RA07770D","","x-ray","0.71073","MoKα","","0.0525","0.0417","","","0.0891","0.0931","","","","","","1.189","","","","has coordinates","259575","2020-12-06","08:33:57",""
"7241657","10.0298","0.0001","12.6887","0.0002","14.1918","0.0002","87.038","0.001","78.878","0.001","73.535","0.001","1699.52","0.04","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C31.72 H35.16 N2 O4 P2 S4 Zn -","- C31.72 H35.16 N2 O4 P2 S4 Zn -","- C63.44 H70.32 N4 O8 P4 S8 Zn2 -","2","1","","Yusuf, Tunde L.; Quadri, Taiwo W.; Tolufashe, Gideon F.; Olasunkanmi, Lukman O.; Ebenso, Eno E.; van Zyl, Werner E.","Synthesis and structures of divalent Co, Ni, Zn and Cd complexes of mixed dichalcogen and dipnictogen ligands with corrosion inhibition properties: experimental and computational studies","RSC Advances","2020","10","69","41967","41982","10.1039/D0RA07770D","","x-ray","0.71073","MoKα","","0.0307","0.0282","","","0.0764","0.0785","","","","","","1.0372","","","","has coordinates,has disorder","259575","2020-12-06","08:33:57",""
"7241658","13.5359","0.0014","5.1353","0.0006","13.931","0.002","90","","103.691","0.005","90","","940.8","0.2","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","EG607_200K","","","- C22 H24 N4 O2 -","- C22 H24 N4 O2 -","- C44 H48 N8 O4 -","2","1","","de Miguel, Gustavo; Garzón-Ruiz, Andrés; Navarro, Amparo; García-Frutos, Eva M.","Synthesis and photophysical studies of an indigo derivative: N-octyl-7,7′-diazaindigo","RSC Advances","2020","10","69","42014","42020","10.1039/D0RA06451C","","","0.71073","MoKα","","0.1391","0.064","","","0.1181","0.164","","","","","","1.041","","","","has coordinates","259576","2020-12-06","08:34:39",""
"7241659","10.1667","0.0012","12.3453","0.0013","12.6574","0.0015","62.592","0.004","68.79","0.005","68.138","0.004","1273.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H30 Cl2 Cu N6 O11 -","- C15 H30 Cl2 Cu N6 O11 -","- C30 H60 Cl4 Cu2 N12 O22 -","2","1","","Muddassir, Mohd.; Alarifi, Abdullah; Afzal, Mohd; Alshali, Khulud Abdullah; Abduh, Naaser A. Y.; Beagan, Abeer","A fluorescent Cu(ii) complex as a dual functional sensor for selective and sensitive detection of acetone and Cd(ii) pollutants","RSC Advances","2020","10","69","42137","42146","10.1039/D0RA08073J","","","0.71073","MoKα","","0.0925","0.0503","","","0.0907","0.1041","","","","","","1.047","","","","has coordinates","259577","2020-12-06","08:35:04",""
"7241660","29.8768","0.0016","29.8768","0.0016","74.341","0.003","90","","90","","120","","57468","5","150","0.1","150","0.1","","","","","","","","6","R -3 :H","-R 3","148","Pd6L12","","","- C74 H84 Au2 I2 N8 Pd -","- C74 H84 Au2 I2 N8 Pd -","- C1332 H1512 Au36 I36 N144 Pd18 -","18","1","","Zeng, Lihua; Sun, Shujian; Wei, Zhang-Wen; Xin, Yu; Liu, Liping; Zhang, Jianyong","Confinement of a Au‒N-heterocyclic carbene in a Pd6L12 metal‒organic cage","RSC Advances","2020","10","64","39323","39327","10.1039/D0RA07509D","","x-ray","1.54184","CuKα","","0.1033","0.0888","","","0.2668","0.2821","","","","","","1.059","","","","has coordinates,has disorder","259578","2020-12-06","08:35:36",""
"7241661","11.8959","0.0004","11.5231","0.0004","10.6044","0.0004","90","","102.613","0.004","90","","1418.55","0.09","112.05","0.1","112.05","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O2 S -","- C16 H14 N2 O2 S -","- C64 H56 N8 O8 S4 -","4","1","","Shang, Hai; Li, Ling-Yu; Tian, Yu; Jia, Hong-Mei; Zou, Zhong-Mei","A facile metal-free one-pot synthesis of 3-aminoisoquinolines by intramolecular transannulation of 1-sulfonyl-4-(2-aminomethylphenyl)-1,2,3-triazoles","RSC Advances","2020","10","64","39067","39071","10.1039/D0RA06563C","","x-ray","0.71073","MoKα","","0.0494","0.0399","","","0.0934","0.1001","","","","","","1.047","","","","has coordinates","259579","2020-12-06","08:35:58",""
"7241662","17.2172","0.0004","10.339","0.0003","22.6719","0.0005","90","","101.889","0.002","90","","3949.22","0.17","130","2","130","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C48 H52 O P2 -","- C48 H52 O P2 -","- C192 H208 O4 P8 -","4","1","","Ganushevich, Yulia; Zagidullin, Almaz; Kondrashova, Svetlana; Latypov, Shamil; Miluykov, Vasili; Lönnecke, Peter; Hey-Hawkins, Evamarie","Asymmetric 1,3-dipolar cycloaddition reaction of chiral 1-alkyl-1,2-diphospholes with diphenyldiazomethane","RSC Advances","2020","10","64","39060","39066","10.1039/D0RA08080B","","","0.71073","MoKα","","0.0745","0.0524","","","0.1224","0.1356","","","","","","1.006","","","","has coordinates,has disorder","259580","2020-12-06","08:36:20",""
"7241663","28.349","0.011","9.848","0.003","19.498","0.007","90","","124.168","0.005","90","","4504","3","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H21 N3 O12 -","- C21 H21 N3 O12 -","- C168 H168 N24 O96 -","8","1","","Awatani, Ayano; Suzuki, Masaaki","Circular linkage of intramolecular multi-hydrogen bonding frameworks through nucleophilic substitutions of β-dicarbonyls onto cyanuric chloride and subsequent tautomerisation","RSC Advances","2020","10","64","39033","39036","10.1039/D0RA07677E","","","1.54187","CuKα","","0.0781","0.0502","","","0.119","0.1301","","","","","","1.009","","","","has coordinates","259581","2020-12-06","08:37:36",""
"7241664","13.202","0.007","13.202","0.007","6.454","0.004","90","","90","","120","","974.2","0.9","93","2","93","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- C3.67 H4.17 N0.5 O1.17 -","- C3.6667 H4.1668 N0.5 O1.1667 -","- C44.0004 H50.0016 N6 O14.0004 -","12","1","","Awatani, Ayano; Suzuki, Masaaki","Circular linkage of intramolecular multi-hydrogen bonding frameworks through nucleophilic substitutions of β-dicarbonyls onto cyanuric chloride and subsequent tautomerisation","RSC Advances","2020","10","64","39033","39036","10.1039/D0RA07677E","","","1.54187","CuKα","","0.0564","0.0502","","","0.1146","0.1171","","","","","","1.013","","","","has coordinates,has disorder","259581","2020-12-06","08:37:36",""
"7241665","11.271","0.0011","11.3037","0.0002","12.5205","0.0008","73.166","0.014","87.132","0.018","65.188","0.016","1381.2","0.3","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H35 Cl2 N3 O6 -","- C28 H35 Cl2 N3 O6 -","- C56 H70 Cl4 N6 O12 -","2","1","","Awatani, Ayano; Suzuki, Masaaki","Circular linkage of intramolecular multi-hydrogen bonding frameworks through nucleophilic substitutions of β-dicarbonyls onto cyanuric chloride and subsequent tautomerisation","RSC Advances","2020","10","64","39033","39036","10.1039/D0RA07677E","","","1.54187","CuKα","","0.0553","0.053","","","0.1671","0.1694","","","","","","1.097","","","","has coordinates","259581","2020-12-06","08:37:37",""
"7241666","17.963","0.002","7.3777","0.0008","20.201","0.002","90","","105.543","0.003","90","","2579.2","0.5","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 N3 O6 -","- C27 H33 N3 O6 -","- C108 H132 N12 O24 -","4","1","","Awatani, Ayano; Suzuki, Masaaki","Circular linkage of intramolecular multi-hydrogen bonding frameworks through nucleophilic substitutions of β-dicarbonyls onto cyanuric chloride and subsequent tautomerisation","RSC Advances","2020","10","64","39033","39036","10.1039/D0RA07677E","","","1.54187","CuKα","","0.0573","0.0375","","","0.0752","0.0782","","","","","","1.002","","","","has coordinates","259581","2020-12-06","08:37:37",""
"7241667","19.0132","0.001","3.943","0.0002","23.6198","0.0012","90","","108.101","0.002","90","","1683.12","0.15","130","2","130","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","1,3,5-Triethynylbenzene","","- C12 H6 -","- C12 H6 -","- C96 H48 -","8","1","","Abdi, Gisya; Filip, Anna; Krajewski, Michał; Kazimierczuk, Krzysztof; Strawski, Marcin; Szarek, Paweł; Hamankiewicz, Bartosz; Mazej, Zoran; Cichowicz, Grzegorz; Leszczyński, Piotr J.; Fijałkowski, Karol J.; Szczurek, Andrzej","Toward the synthesis, fluorination and application of N‒graphyne","RSC Advances","2020","10","66","40019","40029","10.1039/D0RA08143D","","","0.71073","MoKα","","0.0479","0.0335","","","0.0815","0.0901","","","","","","1.039","","","","has coordinates","259582","2020-12-06","08:38:28",""
"7241668","10.768","0.004","11.89","0.004","16.12","0.006","104.401","0.005","98.576","0.006","108.158","0.005","1841","1.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","Ru(II)","C30 H28 N8 Ru2(F6P)","","- C30 H28 F12 N8 O0 P2 Ru -","- C30 H28 F12 N8 P2 Ru -","- C60 H56 F24 N16 P4 Ru2 -","2","1","","Muddassir, Mohd.","Blue light-induced low mechanical stability of ruthenium-based coordination bonds: an AFM-based single-molecule force spectroscopy study","RSC Advances","2020","10","66","40543","40551","10.1039/D0RA07274E","","","0.71073","MoKα","","0.1834","0.1384","","","0.3396","0.3835","","","","","","1.234","","","","has coordinates","259583","2020-12-06","08:38:52",""
"7241669","10.005","0.004","12.857","0.005","22.495","0.009","98.332","0.005","97.908","0.005","104.389","0.006","2727.4","1.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C97.12 H32.31 N2 O0.59 -","- C97.124 H32.31 N2 O0.593 -","- C194.248 H64.62 N4 O1.186 -","2","1","","Hashikawa, Yoshifumi; Kizaki, Kazuro; Hirose, Takashi; Murata, Yasujiro","An orifice design: water insertion into C60","RSC Advances","2020","10","66","40406","40410","10.1039/D0RA09067K","","","0.71073","MoKα","","0.072","0.0532","","","0.1399","0.1554","","","","","","1.028","","","","has coordinates,has disorder","259584","2020-12-06","08:39:21",""
"7241670","9.591","0.0002","9.316","0.0002","15.982","0.0003","90","","97.514","0.001","90","","1415.73","0.05","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N7 -","- C14 H13 N7 -","- C56 H52 N28 -","4","1","","Ciou, Ji-Ming; Zhu, Hong-Feng; Chang, Chia-Wen; Chen, Jing-Yun; Lin, Ya-Fan","Physical organic studies and dynamic covalent chemistry of picolyl heterocyclic amino aminals","RSC Advances","2020","10","66","40421","40427","10.1039/D0RA08527H","","","0.71073","MoKα","","0.096","0.0497","","0.1565","0.1254","","","","1.034","1.105","1.105","","","","","has coordinates","259585","2020-12-06","08:40:07",""
"7241671","16.876","0.0003","8.689","0.0001","19.621","0.0004","90","","90","","90","","2877.14","0.08","295","2","295","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C16 H16 N5 -","- C16 H16 N5 -","- C128 H128 N40 -","8","1","","Ciou, Ji-Ming; Zhu, Hong-Feng; Chang, Chia-Wen; Chen, Jing-Yun; Lin, Ya-Fan","Physical organic studies and dynamic covalent chemistry of picolyl heterocyclic amino aminals","RSC Advances","2020","10","66","40421","40427","10.1039/D0RA08527H","","","0.71073","MoKα","","0.089","0.0578","","0.1778","0.1471","","","","1.112","1.129","1.129","","","","","has coordinates","259585","2020-12-06","08:40:07",""
"7241672","16.8629","0.0017","7.7228","0.0007","14.8431","0.0014","90","","104.655","0.003","90","","1870.1","0.3","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 N4 -","- C10 H10 N4 -","- C80 H80 N32 -","8","1","","Ciou, Ji-Ming; Zhu, Hong-Feng; Chang, Chia-Wen; Chen, Jing-Yun; Lin, Ya-Fan","Physical organic studies and dynamic covalent chemistry of picolyl heterocyclic amino aminals","RSC Advances","2020","10","66","40421","40427","10.1039/D0RA08527H","","","0.71073","MoKα","","0.0422","0.0352","","","0.0844","0.0901","","","","","","1.04","","","","has coordinates","259585","2020-12-06","08:40:07",""
"7241673","8.1377","0.0005","9.0021","0.0006","9.7827","0.0007","106.504","0.002","94.684","0.002","93.115","0.002","682.57","0.08","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Cl2 Cu N8 O10 -","- C20 H18 Cl2 Cu N8 O10 -","- C20 H18 Cl2 Cu N8 O10 -","1","0.5","","Ciou, Ji-Ming; Zhu, Hong-Feng; Chang, Chia-Wen; Chen, Jing-Yun; Lin, Ya-Fan","Physical organic studies and dynamic covalent chemistry of picolyl heterocyclic amino aminals","RSC Advances","2020","10","66","40421","40427","10.1039/D0RA08527H","","","0.71073","MoKα","","0.0449","0.0419","","","0.1054","0.1079","","","","","","1.081","","","","has coordinates","259585","2020-12-06","08:40:08",""
"7241674","7.2577","0.0003","17.3639","0.0008","13.362","0.0006","90","","95.789","0.002","90","","1675.32","0.13","136","2","136","2","","","","","","","plant Crepis sancta, family Asteraceae, collected Southern Jordan","3","P 1 21 1","P 2yb","4","chrysosplentin","","","- C19 H18 O8 -","- C19 H18 O8 -","- C76 H72 O32 -","4","2","","Ebada, Sherif S.; Al-Jawabri, Nariman A.; Youssef, Fadia S.; El-Kashef, Dina H.; Knedel, Tim-Oliver; Albohy, Amgad; Korinek, Michal; Hwang, Tsong-Long; Chen, Bing-Hung; Lin, Guan-Hua; Lin, Chia-Yi; Aldalaien, Sa'ed M.; Disi, Ahmad M.; Janiak, Christoph; Proksch, Peter","Anti-inflammatory, antiallergic and COVID-19 protease inhibitory activities of phytochemicals from the Jordanian hawksbeard: identification, structure‒activity relationships, molecular modeling and impact on its folk medicinal uses","RSC Advances","2020","10","62","38128","38141","10.1039/D0RA04876C","","","0.71073","MoKα","","0.0693","0.0475","","","0.0987","0.1112","","","","","","1.043","","","","has coordinates","259586","2020-12-06","08:40:38",""
"7241675","9.2977","0.0007","18.1902","0.001","23.3996","0.0017","90","","100.702","0.007","90","","3888.7","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 Cl N2 O -","- C24 H21 Cl N2 O -","- C192 H168 Cl8 N16 O8 -","8","2","","Leduskrasts, Kaspars; Suna, Edgars","Aggregation induced emission in one easy step: pyridinium AIEgens and counter ion effect","RSC Advances","2020","10","62","38107","38113","10.1039/D0RA07137D","","x-ray","1.54184","CuKα","","0.1212","0.0897","","","0.2275","0.2553","","","","","","1.052","","","","has coordinates","259587","2020-12-06","08:41:45",""
"7241676","7.011","0.0001","9.8156","0.0001","17.0473","0.0002","90","","90","","90","","1173.15","0.02","160","0.1","160","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 Cl N O2 -","- C11 H14 Cl N O2 -","- C44 H56 Cl4 N4 O8 -","4","1","","Leduskrasts, Kaspars; Suna, Edgars","Aggregation induced emission in one easy step: pyridinium AIEgens and counter ion effect","RSC Advances","2020","10","62","38107","38113","10.1039/D0RA07137D","","x-ray","1.54184","CuKα","","0.0693","0.0678","","","0.199","0.2025","","","","","","1.101","","","","has coordinates","259587","2020-12-06","08:41:46",""
"7241677","7.7267","0.0002","13.0423","0.0003","36.875","0.0009","90","","90","","90","","3716.04","0.16","140","1","140","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 Cl N O4 S -","- C21 H16 Cl N O4 S -","- C168 H128 Cl8 N8 O32 S8 -","8","2","","Leduskrasts, Kaspars; Suna, Edgars","Aggregation induced emission in one easy step: pyridinium AIEgens and counter ion effect","RSC Advances","2020","10","62","38107","38113","10.1039/D0RA07137D","","x-ray","1.54184","CuKα","","0.0726","0.0649","","","0.1724","0.1832","","","","","","1.056","","","","has coordinates","259587","2020-12-06","08:41:46",""
"7241678","5.14553","0.00005","8.93108","0.00011","40.8075","0.0005","90","","90","","90","","1875.31","0.04","120","0.1","120","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 Cl N2 O4 -","- C23 H17 Cl N2 O4 -","- C92 H68 Cl4 N8 O16 -","4","1","","Leduskrasts, Kaspars; Suna, Edgars","Aggregation induced emission in one easy step: pyridinium AIEgens and counter ion effect","RSC Advances","2020","10","62","38107","38113","10.1039/D0RA07137D","","x-ray","1.54184","CuKα","","0.0318","0.0317","","","0.0844","0.0845","","","","","","1.041","","","","has coordinates","259587","2020-12-06","08:41:48",""
"7241679","6.8571","0.0001","18.2247","0.0002","9.2749","0.0001","90","","109.383","0.002","90","","1093.38","0.03","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Cl N O4 -","- C11 H10 Cl N O4 -","- C44 H40 Cl4 N4 O16 -","4","1","","Leduskrasts, Kaspars; Suna, Edgars","Aggregation induced emission in one easy step: pyridinium AIEgens and counter ion effect","RSC Advances","2020","10","62","38107","38113","10.1039/D0RA07137D","","x-ray","1.54184","CuKα","","0.0442","0.0414","","","0.1144","0.1164","","","","","","1.0242","","","","has coordinates","259587","2020-12-06","08:41:48",""
"7241680","11.7838","0.0001","7.8328","0.0001","23.338","0.0002","90","","103.889","0.001","90","","2091.12","0.04","160","0.1","160","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 Cl N2 O5 -","- C24 H21 Cl N2 O5 -","- C96 H84 Cl4 N8 O20 -","4","1","","Leduskrasts, Kaspars; Suna, Edgars","Aggregation induced emission in one easy step: pyridinium AIEgens and counter ion effect","RSC Advances","2020","10","62","38107","38113","10.1039/D0RA07137D","","x-ray","1.54184","CuKα","","0.0888","0.0836","","","0.2264","0.2318","","","","","","1.0517","","","","has coordinates","259587","2020-12-06","08:41:48",""
"7241681","9.3493","0.0002","6.9787","0.0001","9.155","0.0002","90","","90","","90","","597.33","0.02","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","methyl ammonium methyl carbamate","methyl ammonium methyl carbamate","","- C3 H10 N2 O2 -","- C3 H10 N2 O2 -","- C12 H40 N8 O8 -","4","1","","Lee, Kyu Hyung; Kim, Sun Joo; Park, Hee Sun; Lim, Byung Wook; Lee, Byeongno; Park, Young Jun; Nam, Wonwoo; Hur, Nam Hwi","Stable carbamate pathway towards organic‒inorganic hybrid perovskites and aromatic imines","RSC Advances","2020","10","62","38055","38062","10.1039/D0RA07814J","","","0.71073","","","0.0243","0.0243","","","0.0588","0.0589","","","","","","1.19","","","","has coordinates","259588","2020-12-06","08:42:38",""
"7241682","7.4527","0.0002","18.3181","0.0004","11.3999","0.0002","90","","90.869","0.001","90","","1556.13","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-nitrobenzylidene methanamine","3-nitrobenzylidene methanamine","","- C8 H8 N2 O2 -","- C8 H8 N2 O2 -","- C64 H64 N16 O16 -","8","2","","Lee, Kyu Hyung; Kim, Sun Joo; Park, Hee Sun; Lim, Byung Wook; Lee, Byeongno; Park, Young Jun; Nam, Wonwoo; Hur, Nam Hwi","Stable carbamate pathway towards organic‒inorganic hybrid perovskites and aromatic imines","RSC Advances","2020","10","62","38055","38062","10.1039/D0RA07814J","","","0.71073","","","0.0518","0.0379","","","0.0979","0.1055","","","","","","1.014","","","","has coordinates","259588","2020-12-06","08:42:39",""
"7241683","12.3238","0.0012","21.6586","0.0019","9.7902","0.0011","90","","111.208","0.003","90","","2436.2","0.4","300","2","300","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C22 H16 Cu N4 O5 -","- C22 H16 Cu N4 O5 -","- C88 H64 Cu4 N16 O20 -","4","1","","Li, Jingyang; He, Ying; Wang, Li; Li, Guanghua; Zou, Yongcun; Yan, Yan; Li, Dandan; Shi, Xinli; Song, Zhiguang; Shi, Xiaodong","Construction of fluorescence active MOFs with symmetrical and conformationally rigid N-2-aryl-triazole ligands","RSC Advances","2020","10","68","41921","41925","10.1039/D0RA09305J","","","0.71073","MoKα","","0.0749","0.0685","","","0.2026","0.2099","","","","","","1.035","","","","has coordinates","259589","2020-12-06","08:43:24",""
"7241684","34.01","0.002","9.0351","0.0005","38.6788","0.0018","90","","115.365","0.004","90","","10739.6","1.1","202","2","202","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C41 H28 Cd N7 O9 -","- C41 H28 Cd N7 O9 -","- C328 H224 Cd8 N56 O72 -","8","1","","Li, Jingyang; He, Ying; Wang, Li; Li, Guanghua; Zou, Yongcun; Yan, Yan; Li, Dandan; Shi, Xinli; Song, Zhiguang; Shi, Xiaodong","Construction of fluorescence active MOFs with symmetrical and conformationally rigid N-2-aryl-triazole ligands","RSC Advances","2020","10","68","41921","41925","10.1039/D0RA09305J","","","0.71073","MoKα","","0.0748","0.0656","","","0.1688","0.173","","","","","","1.101","","","","has coordinates","259589","2020-12-06","08:43:24",""
"7241685","16.418","0.002","6.5616","0.0009","17.993","0.002","90","","94.892","0.002","90","","1931.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 N O -","- C11 H15 N O -","- C88 H120 N8 O8 -","8","2","","Zhang, Yuewei; Bao, Qingqing; Zhang, Ning; Wang, Shuohang; Yu, Xue","Stereocontrolled addition of Grignard reagents to oxa-bridged benzazepines: highly efficient synthesis of functionalized benzazepine scaffolds","RSC Advances","2020","10","68","41802","41806","10.1039/D0RA08758K","","","0.71073","MoKα","","0.1178","0.0505","","","0.1074","0.1383","","","","","","0.964","","","","has coordinates","259590","2020-12-06","08:43:49",""
"7241686","26.47","0.05","10.667","0.019","17.28","0.03","90","","125.389","0.018","90","","3978","12","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H28 Ga2 N6 O20 -","- C40 H28 Ga2 N6 O20 -","- C160 H112 Ga8 N24 O80 -","4","0.5","","Wu, Junbiao; Lou, Luqi; Han, Yide; Xu, Yan; Zhang, Xia; Wang, Zhuopeng","Ionothermal synthesis of a photochromic inorganic‒organic complex for colorimetric and portable UV index indication and UVB detection","RSC Advances","2020","10","68","41720","41726","10.1039/D0RA08300C","","","0.71073","MoKα","","0.1349","0.089","","","0.2226","0.2599","","","","","","1.085","","","","has coordinates","259591","2020-12-06","08:44:09",""
"7241687","12.834","0.009","18.991","0.01","8.136","0.006","90","","113.36","0.03","90","","1820","2","293","2","293","2","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- C25 H22 -","- C25 H22 -","- C100 H88 -","4","1","","Arumugam, Selvakumar; Reddy, Pulikanti Guruprasad; Francis, Maria; Kulkarni, Aditya; Roy, Sudipta; Mondal, Kartik Chandra","Highly fluorescent aryl-cyclopentadienyl ligands and their tetra-nuclear mixed metallic potassium‒dysprosium clusters","RSC Advances","2020","10","65","39366","39372","10.1039/D0RA05316C","","","0.71076","MoKα","","0.1106","0.0786","","","0.1879","0.2075","","","","","","1.05","","","","has coordinates","259592","2020-12-06","08:45:00",""
"7241688","22.059","0.002","22.2927","0.0012","7.6696","0.0003","90","","90","","90","","3771.6","0.4","296","2","296","2","","","","","","","","2","I b a 2","I 2 -2c","45","","","","- C26 H24 -","- C26 H24 -","- C208 H192 -","8","1","","Arumugam, Selvakumar; Reddy, Pulikanti Guruprasad; Francis, Maria; Kulkarni, Aditya; Roy, Sudipta; Mondal, Kartik Chandra","Highly fluorescent aryl-cyclopentadienyl ligands and their tetra-nuclear mixed metallic potassium‒dysprosium clusters","RSC Advances","2020","10","65","39366","39372","10.1039/D0RA05316C","","","0.71073","MoKα","","0.0473","0.0386","","","0.0952","0.1011","","","","","","1.04","","","","has coordinates","259592","2020-12-06","08:45:01",""
"7241689","17.1088","0.0007","17.778","0.0008","20.6046","0.0009","69.756","0.002","79.617","0.002","62.673","0.002","5222","0.4","296","2","200","","","","","","","","","5","P -1","-P 1","2","","","","- C125 H116 Cl4 Dy2 K2 -","- C125 H116 Cl4 Dy2 K2 -","- C250 H232 Cl8 Dy4 K4 -","2","1","","Arumugam, Selvakumar; Reddy, Pulikanti Guruprasad; Francis, Maria; Kulkarni, Aditya; Roy, Sudipta; Mondal, Kartik Chandra","Highly fluorescent aryl-cyclopentadienyl ligands and their tetra-nuclear mixed metallic potassium‒dysprosium clusters","RSC Advances","2020","10","65","39366","39372","10.1039/D0RA05316C","","","0.71073","MoKα","","0.0633","0.0391","","","0.0839","0.0946","","","","","","1.019","","","","has coordinates","259592","2020-12-06","08:45:01",""
"7241690","15.0406","0.0005","18.9527","0.0006","21.4668","0.0008","65.202","0.001","78.557","0.002","67.699","0.001","5134","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C249 H224 Cl8 Dy4 K4 -","- C249 H224 Cl8 Dy4 K4 -","- C249 H224 Cl8 Dy4 K4 -","1","0.5","","Arumugam, Selvakumar; Reddy, Pulikanti Guruprasad; Francis, Maria; Kulkarni, Aditya; Roy, Sudipta; Mondal, Kartik Chandra","Highly fluorescent aryl-cyclopentadienyl ligands and their tetra-nuclear mixed metallic potassium‒dysprosium clusters","RSC Advances","2020","10","65","39366","39372","10.1039/D0RA05316C","","","0.71073","MoKα","","0.0386","0.028","","","0.0667","0.0763","","","","","","1.072","","","","has coordinates,has disorder","259592","2020-12-06","08:45:01",""
"7241691","13.2192","0.0007","10.713","0.0005","13.2447","0.0007","90","","112.909","0.002","90","","1727.73","0.15","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H36 Ag2 Cl2 N4 O8 -","- C34 H36 Ag2 Cl2 N4 O8 -","- C68 H72 Ag4 Cl4 N8 O16 -","2","1","","Cui, Minghui; Wang, Ai-Ling; Liu, Yingfan; Xiao, Hongping; Li, Fengcai; Zhou, Liming; Fang, Shaoming; Li, Xi-Li","A pair of 2D chiral Ag(i) enantiomers with dual chiral elements: syntheses, structures, and photoluminescent and chiroptical properties","RSC Advances","2020","10","65","39359","39365","10.1039/D0RA07237K","","","0.71073","MoKα","","0.0475","0.0333","","","0.0558","0.0584","","","","","","1.038","","","","has coordinates","259593","2020-12-06","08:45:33",""
"7241692","13.1734","0.0007","10.6736","0.0006","13.2327","0.0007","90","","112.887","0.002","90","","1714.14","0.16","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H36 Ag2 Cl2 N4 O8 -","- C34 H36 Ag2 Cl2 N4 O8 -","- C68 H72 Ag4 Cl4 N8 O16 -","2","1","","Cui, Minghui; Wang, Ai-Ling; Liu, Yingfan; Xiao, Hongping; Li, Fengcai; Zhou, Liming; Fang, Shaoming; Li, Xi-Li","A pair of 2D chiral Ag(i) enantiomers with dual chiral elements: syntheses, structures, and photoluminescent and chiroptical properties","RSC Advances","2020","10","65","39359","39365","10.1039/D0RA07237K","","","0.71073","MoKα","","0.0612","0.0373","","","0.053","0.057","","","","","","1.005","","","","has coordinates","259593","2020-12-06","08:45:33",""
"7241693","9.9847","0.0008","13.2497","0.001","14.3535","0.0011","81.6299","0.0012","73.8538","0.001","83.2186","0.0011","1798.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H27 N9 O18 Sm2 -","- C30 H27 N9 O18 Sm2 -","- C60 H54 N18 O36 Sm4 -","2","1","","Yuan, Fei; Yuan, Chunmei; Cao, Baoyue; Di, Youying; Wang, Shumin; Liu, Mingbao; Kumar, Abhinav; Shi, Chuncheng; Muddassir, Mohd.","Two Ln-based metal‒organic frameworks based on the 5-(1H-1,2,4-triazol-1-yl)-1,3-benzenedicarboxylic acid ligand: syntheses, structures, and photocatalytic properties","RSC Advances","2020","10","65","39771","39778","10.1039/D0RA07159E","","","0.71073","MoKα","","0.027","0.0234","","","0.0608","0.0628","","","","","","1.024","","","","has coordinates","259594","2020-12-06","08:46:01",""
"7241694","9.9419","0.0006","13.1775","0.0008","14.3215","0.0009","81.79","0.0009","74.0669","0.0009","83.0217","0.001","1778.99","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H27 N9 O18 Tb2 -","- C30 H27 N9 O18 Tb2 -","- C60 H54 N18 O36 Tb4 -","2","1","","Yuan, Fei; Yuan, Chunmei; Cao, Baoyue; Di, Youying; Wang, Shumin; Liu, Mingbao; Kumar, Abhinav; Shi, Chuncheng; Muddassir, Mohd.","Two Ln-based metal‒organic frameworks based on the 5-(1H-1,2,4-triazol-1-yl)-1,3-benzenedicarboxylic acid ligand: syntheses, structures, and photocatalytic properties","RSC Advances","2020","10","65","39771","39778","10.1039/D0RA07159E","","","0.71073","MoKα","","0.0286","0.026","","","0.0693","0.0708","","","","","","1.046","","","","has coordinates","259594","2020-12-06","08:46:01",""
"7241695","10.6437","0.0004","14.3165","0.001","16.2402","0.0011","96.269","0.006","104.683","0.005","96.637","0.005","2353","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H66 Mo N3 O4 -","- C49 H66 Mo N3 O4 -","- C98 H132 Mo2 N6 O8 -","2","1","","Nasibipour, Mina; Safaei, Elham; Wojtczak, Andrzej; Jagličić, Zvonko; Galindo, Agustín; Masoumpour, Marzieh Sadat","A biradical oxo-molybdenum complex containing semiquinone and o-aminophenol benzoxazole-based ligands","RSC Advances","2020","10","67","40853","40866","10.1039/D0RA06351G","","","0.71073","MoKα","","0.1407","0.0887","","","0.2086","0.2612","","","","","","1.039","","","","has coordinates,has disorder","259595","2020-12-06","08:46:41",""
"7241696","9.3905","0.0004","14.9547","0.0006","17.6271","0.0006","109.496","0.003","94.616","0.003","99.025","0.003","2281.02","0.16","180","","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H40 Br2 Cu2 N11 O15.5 -","- C38 H40 Br2 Cu2 N11 O15.5 -","- C76 H80 Br4 Cu4 N22 O31 -","2","1","","Peewasan, Krisana; Merkel, Marcel P.; Fuhr, Olaf; Anson, Christopher E.; Powell, Annie K.","A multifunctional use of bis(methylene)bis(5-bromo-2-hydroxyl salicyloylhydrazone): from metal sensing to ambient catalysis of A3 coupling reactions","RSC Advances","2020","10","67","40739","40744","10.1039/D0RA07687B","","x-ray","1.34143","GaKα","","0.0662","0.0426","","","0.1056","0.115","","","","","","1.039","","","","has coordinates,has disorder","259596","2020-12-06","08:47:01",""
"7241697","10.094","0.005","11.277","0.005","11.815","0.005","99.224","0.008","106.772","0.007","111.122","0.007","1147.4","0.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 N4 O2 S2 -","- C22 H26 N4 O2 S2 -","- C44 H52 N8 O4 S4 -","2","1","","Liu, Hong-Yan; Chen, Yu; Hao, Li-Qiang; Wang, Guo-Dong; Li, Hong-Shuang; Xia, Cheng-Cai","The synthesis of N,N′-disulfanediyl-bis(N′-((E)-benzylidene)acetohydrazide) from (E)-N′-benzylideneacetohydrazide and S8","RSC Advances","2020","10","67","41041","41046","10.1039/D0RA08441G","","","0.71073","MoKα","","0.0592","0.0475","","","0.1304","0.1429","","","","","","1.022","","","","has coordinates","259597","2020-12-06","08:47:20",""
"7241698","10.598","0.005","13.049","0.005","14.218","0.005","90","0.005","93.964","0.005","90","0.005","1961.6","1.4","150","0.1","150","0.1","","","","","","","","5","P 1 n 1","P -2yac","7","tipyzdime","Pz2Ti2","","- C31 H64 N4 O7 Ti2 -","- C31 H64 N4 O7 Ti2 -","- C62 H128 N8 O14 Ti4 -","2","1","","Wang, Tzu-Fang; Kosuru, Someswara Rao; Yu, Shu-Chun; Chang, Yung-Chi; Lai, Hsin-Yu; Chang, Yu-Lun; Wu, Kuo-Hui; Ding, Shangwu; Chen, Hsuan-Ying","Use of pyrazoles as ligands greatly enhances the catalytic activity of titanium iso-propoxide for the ring-opening polymerization of l-lactide: a cooperation effect","RSC Advances","2020","10","67","40690","40696","10.1039/D0RA07824G","","","0.71073","MoKα","","0.0634","0.0481","","","0.1014","0.1093","","","","","","1.032","","","","has coordinates,has disorder","259598","2020-12-06","08:47:40",""
"7241787","9.9455","0.0003","8.2022","0.0003","15.9136","0.0006","90","","93.461","0.002","90","","1295.78","0.08","298.15","","298.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H33 N5 O6 -","- C26 H33 N5 O6 -","- C52 H66 N10 O12 -","2","1","","Posada, Laura; Davyt, Danilo; Serra, Gloria","First total synthesis of versicotide A, B and C","RSC Advances","2020","10","71","43653","43659","10.1039/D0RA09635K","","","1.54178","CuKα","","0.0522","0.0442","","","0.1125","0.121","","","","","","1.059","","","","has coordinates","295835","2024-11-08","15:48:26",""
"7241788","12.2177","0.0002","16.0747","0.0002","25.66","0.0003","90","","98.643","0.001","90","","4982.29","0.12","169.98","0.11","169.98","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H57 Cl2 Co N3 O4 -","- C56 H57 Cl2 Co N3 O4 -","- C224 H228 Cl8 Co4 N12 O16 -","4","1","","Yuan, Shi-Fang; Fan, Zhe; Yan, Yi; Ma, Yanping; Han, Mingyang; Liang, Tongling; Sun, Wen-Hua","Achieving polydispersive HDPE by N,N,N-Co precatalysts appended with N-2,4-bis(di(4-methoxyphenyl)methyl)-6-methylphenyl","RSC Advances","2020","10","71","43400","43411","10.1039/D0RA09333E","","x-ray","1.54184","CuKα","","0.0661","0.0513","","","0.1302","0.1419","","","","","","1.025","","","","has coordinates","259809","2020-12-11","05:24:08",""
"7241789","12.3277","0.0003","15.5549","0.0004","26.352","0.0007","90","","98.564","0.002","90","","4996.8","0.2","169.99","0.13","169.99","0.13","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H55 Cl2 Co N3 O4 -","- C55 H55 Cl2 Co N3 O4 -","- C220 H220 Cl8 Co4 N12 O16 -","4","1","","Yuan, Shi-Fang; Fan, Zhe; Yan, Yi; Ma, Yanping; Han, Mingyang; Liang, Tongling; Sun, Wen-Hua","Achieving polydispersive HDPE by N,N,N-Co precatalysts appended with N-2,4-bis(di(4-methoxyphenyl)methyl)-6-methylphenyl","RSC Advances","2020","10","71","43400","43411","10.1039/D0RA09333E","","x-ray","1.54184","CuKα","","0.0688","0.0528","","","0.156","0.1733","","","","","","1.2723","","","","has coordinates","259809","2020-12-11","05:24:09",""
"7241790","14.6617","0.0018","19.303","0.003","7.5546","0.0009","90","","104.276","0.003","90","","2072","0.5","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 Co N4 O5 -","- C21 H26 Co N4 O5 -","- C84 H104 Co4 N16 O20 -","4","1","","Mitsuhashi, Ryoji; Hosoya, Satoshi; Suzuki, Takayoshi; Sunatsuki, Yukinari; Sakiyama, Hiroshi; Mikuriya, Masahiro","Zero-field slow relaxation of magnetization in cobalt(ii) single-ion magnets: suppression of quantum tunneling of magnetization by tailoring the intermolecular magnetic coupling","RSC Advances","2020","10","71","43472","43479","10.1039/D0RA08286D","","","0.71073","MoKα","","0.1542","0.0651","","","0.1296","0.1515","","","","","","0.911","","","","has coordinates","259810","2020-12-11","05:24:36",""
"7241888","7.6012","0.0004","7.6086","0.0005","9.9648","0.0004","111.477","0.005","92.248","0.004","92.294","0.005","534.96","0.05","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H6 Au Cl3 N2 -","- C8 H6 Au Cl3 N2 -","- C16 H12 Au2 Cl6 N4 -","2","1","","Glišić, Biljana Đ.; Warżajtis, Beata; Hoffmann, Marcin; Rychlewska, Urszula; Djuran, Miloš I.","Mononuclear gold(iii) complexes with diazanaphthalenes: the influence of the position of nitrogen atoms in the aromatic rings on the complex crystalline properties","RSC Advances","2020","10","72","44481","44493","10.1039/D0RA08731A","","","0.71073","MoKα","","0.0217","0.0196","","","0.0426","0.0436","","","","","","1.074","","","","has coordinates","260010","2020-12-19","06:01:51",""
"7241889","12.9111","0.0004","12.1129","0.0004","6.7647","0.0002","90","","90","","90","","1057.94","0.06","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H6 Au Cl3 N2 -","- C8 H6 Au Cl3 N2 -","- C32 H24 Au4 Cl12 N8 -","4","1","","Glišić, Biljana Đ.; Warżajtis, Beata; Hoffmann, Marcin; Rychlewska, Urszula; Djuran, Miloš I.","Mononuclear gold(iii) complexes with diazanaphthalenes: the influence of the position of nitrogen atoms in the aromatic rings on the complex crystalline properties","RSC Advances","2020","10","72","44481","44493","10.1039/D0RA08731A","","","0.71073","MoKα","","0.02","0.0172","","","0.0343","0.0353","","","","","","1.058","","","","has coordinates","260010","2020-12-19","06:01:51",""
"7241890","4.0553","0.0001","11.2233","0.0002","11.6686","0.0003","90","","93.193","0.002","90","","530.26","0.02","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H6 Au Cl3 N2 -","- C8 H6 Au Cl3 N2 -","- C16 H12 Au2 Cl6 N4 -","2","1","","Glišić, Biljana Đ.; Warżajtis, Beata; Hoffmann, Marcin; Rychlewska, Urszula; Djuran, Miloš I.","Mononuclear gold(iii) complexes with diazanaphthalenes: the influence of the position of nitrogen atoms in the aromatic rings on the complex crystalline properties","RSC Advances","2020","10","72","44481","44493","10.1039/D0RA08731A","","","0.71073","MoKα","","0.0207","0.0196","","","0.0458","0.0465","","","","","","1.08","","","","has coordinates","260010","2020-12-19","06:01:52",""
"7241891","7.5601","0.0002","22.2124","0.0005","13.5335","0.0003","90","","103.107","0.003","90","","2213.45","0.1","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H6 Au Cl3 N2 -","- C8 H6 Au Cl3 N2 -","- C64 H48 Au8 Cl24 N16 -","8","2","","Glišić, Biljana Đ.; Warżajtis, Beata; Hoffmann, Marcin; Rychlewska, Urszula; Djuran, Miloš I.","Mononuclear gold(iii) complexes with diazanaphthalenes: the influence of the position of nitrogen atoms in the aromatic rings on the complex crystalline properties","RSC Advances","2020","10","72","44481","44493","10.1039/D0RA08731A","","","0.71073","MoKα","","0.0205","0.0197","","","0.0429","0.0435","","","","","","1.04","","","","has coordinates","260010","2020-12-19","06:01:52",""
"7241892","7.8424","0.0004","8.1614","0.0004","9.7794","0.0005","113.353","0.005","95.989","0.004","104.639","0.004","541.06","0.06","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H6 Au Cl3 N2 -","- C8 H6 Au Cl3 N2 -","- C16 H12 Au2 Cl6 N4 -","2","1","","Glišić, Biljana Đ.; Warżajtis, Beata; Hoffmann, Marcin; Rychlewska, Urszula; Djuran, Miloš I.","Mononuclear gold(iii) complexes with diazanaphthalenes: the influence of the position of nitrogen atoms in the aromatic rings on the complex crystalline properties","RSC Advances","2020","10","72","44481","44493","10.1039/D0RA08731A","","","0.71073","MoKα","","0.0203","0.0181","","","0.0388","0.0397","","","","","","1.117","","","","has coordinates","260010","2020-12-19","06:01:52",""
"7241893","21.7453","0.0006","10.7363","0.0002","25.254","0.0007","90","","106.562","0.003","90","","5651.3","0.3","110.1","0.3","110.1","0.3","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H22 O6 -","- C22 H22 O6 -","- C264 H264 O72 -","12","6","","Yu, Xuan; Lan, Wenjie; Li, Jiaqi; Bai, Hui; Qin, Zhaohai; Fu, Bin","Enantioselective one-pot synthesis of 4H-chromene derivatives catalyzed by a chiral Ni(ii) complex","RSC Advances","2020","10","72","44437","44441","10.1039/D0RA08906K","","x-ray","1.54184","CuKα","","0.0649","0.0615","","","0.1652","0.1688","","","","","","1.06","","","","has coordinates","260011","2020-12-19","06:02:21",""
"7241894","10.9462","0.0009","13.6297","0.0011","19.4386","0.0016","90","","90","","90","","2900.1","0.4","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","1,5-pentanediamine-Isophthalate","","- C13 H22 N2 O5 -","- C13 H22 N2 O5 -","- C104 H176 N16 O40 -","8","1","","Li, Zihan; Xu, Mengjie; Liu, Haodong; Wen, Qingshi; Fu, Jinqiu; Zhuang, Wei; Yang, Pengpeng; Wu, Jinglan; Ying, Hanjie","Monohydrate and anhydrate of nylon 5I monomer 1,5-pentanediamine‒isophthalate","RSC Advances","2020","10","73","44774","44784","10.1039/D0RA08767J","","","0.71073","MoKα","","0.0708","0.0397","","","0.0944","0.1104","","","","","","1.025","","","","has coordinates","260012","2020-12-19","06:02:54",""
"7241895","13.4758","0.0012","11.6629","0.0011","18.8817","0.0016","90","","103.974","0.004","90","","2879.8","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,5-diaminopentane-Isophthalate","1,5-pentanediamine-Isophthalate","","- C13 H20 N2 O4 -","- C13 H20 N2 O4 -","- C104 H160 N16 O32 -","8","2","","Li, Zihan; Xu, Mengjie; Liu, Haodong; Wen, Qingshi; Fu, Jinqiu; Zhuang, Wei; Yang, Pengpeng; Wu, Jinglan; Ying, Hanjie","Monohydrate and anhydrate of nylon 5I monomer 1,5-pentanediamine‒isophthalate","RSC Advances","2020","10","73","44774","44784","10.1039/D0RA08767J","","","0.71073","MoKα","","0.1237","0.0646","","","0.1173","0.1324","","","","","","1.03","","","","has coordinates","260012","2020-12-19","06:02:54",""
"7241896","13.2356","0.0008","7.1744","0.0004","25.3234","0.0016","90","","90","","90","","2404.6","0.2","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H10 O3 -","- C17 H10 O3 -","- C136 H80 O24 -","8","1","","Pham, Quyen T.; Le, Phong Q.; Dang, Ha V.; Ha, Hiep Q.; Nguyen, Huong T. D.; Truong, Thanh; Le, Tri Minh","Iodine-mediated formal [3 + 2] annulation for synthesis of furocoumarin from oxime esters","RSC Advances","2020","10","72","44332","44338","10.1039/D0RA07566C","","","0.71073","MoKα","","0.0962","0.0519","","","0.1","0.1165","","","","","","1.0693","","","","has coordinates","260013","2020-12-19","06:03:21",""
"7241897","12.9006","0.0004","11.7117","0.0004","23.7556","0.0008","90","","105.593","0.001","90","","3457.1","0.2","193","1","193","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H24 O9 Os3 P2 -","- C33 H24 O9 Os3 P2 -","- C132 H96 O36 Os12 P8 -","4","1","","Joy, Md. Tuhinur R.; Bhoumik, Nikhil C.; Ghosh, Shishir; Richmond, Michael G.; Kabir, Shariff E.","A new synthetic route for the preparation of [Os3(CO)10(μ-OH)(μ-H)] and its reaction with bis(diphenylphosphino)methane (dppm): syntheses and X-ray structures of two isomers of [Os3(CO)8(μ-OH)(μ-H)(μ-dppm)] and [Os3(CO)7(μ3-CO)(μ3-O)(μ-dppm)]","RSC Advances","2020","10","73","44699","44711","10.1039/D0RA08783A","","","0.71073","MoKα","","0.0245","0.0186","","","0.036","0.0376","","","","","","1.046","","","","has coordinates","260015","2020-12-19","06:04:25",""
"7241898","12.403","0.005","13.586","0.007","14.093","0.006","63.446","0.014","81.056","0.013","68.94","0.02","1982.3","1.6","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C33 H22 O9 Os3 P2 -","- C33 H22 O9 Os3 P2 -","- C66 H44 O18 Os6 P4 -","2","1","","Joy, Md. Tuhinur R.; Bhoumik, Nikhil C.; Ghosh, Shishir; Richmond, Michael G.; Kabir, Shariff E.","A new synthetic route for the preparation of [Os3(CO)10(μ-OH)(μ-H)] and its reaction with bis(diphenylphosphino)methane (dppm): syntheses and X-ray structures of two isomers of [Os3(CO)8(μ-OH)(μ-H)(μ-dppm)] and [Os3(CO)7(μ3-CO)(μ3-O)(μ-dppm)]","RSC Advances","2020","10","73","44699","44711","10.1039/D0RA08783A","","","0.71073","MoKα","","0.0226","0.0212","","","0.0567","0.0573","","","","","","1.085","","","","has coordinates","260015","2020-12-19","06:04:26",""
"7241899","10.8434","0.0008","11.453","0.0009","16.7944","0.0012","70.658","0.003","87.463","0.003","76.322","0.003","1910.8","0.3","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H25 O12 Os3 P2 -","- C36 H25 O12 Os3 P2 -","- C72 H50 O24 Os6 P4 -","2","1","","Joy, Md. Tuhinur R.; Bhoumik, Nikhil C.; Ghosh, Shishir; Richmond, Michael G.; Kabir, Shariff E.","A new synthetic route for the preparation of [Os3(CO)10(μ-OH)(μ-H)] and its reaction with bis(diphenylphosphino)methane (dppm): syntheses and X-ray structures of two isomers of [Os3(CO)8(μ-OH)(μ-H)(μ-dppm)] and [Os3(CO)7(μ3-CO)(μ3-O)(μ-dppm)]","RSC Advances","2020","10","73","44699","44711","10.1039/D0RA08783A","","","0.71073","MoKα","","0.0362","0.0347","","","0.1112","0.1128","","","","","","1.051","","","","has coordinates,has disorder","260015","2020-12-19","06:04:26",""
"7241900","10.642","0.007","12.082","0.009","16.209","0.013","76.185","0.019","71.21","0.03","73.02","0.02","1863","2","193","1","193","1","","","","","","","","5","P -1","-P 1","2","","","","- C33 H23 O9 Os3 P2 -","- C33 H23 O9 Os3 P2 -","- C66 H46 O18 Os6 P4 -","2","1","","Joy, Md. Tuhinur R.; Bhoumik, Nikhil C.; Ghosh, Shishir; Richmond, Michael G.; Kabir, Shariff E.","A new synthetic route for the preparation of [Os3(CO)10(μ-OH)(μ-H)] and its reaction with bis(diphenylphosphino)methane (dppm): syntheses and X-ray structures of two isomers of [Os3(CO)8(μ-OH)(μ-H)(μ-dppm)] and [Os3(CO)7(μ3-CO)(μ3-O)(μ-dppm)]","RSC Advances","2020","10","73","44699","44711","10.1039/D0RA08783A","","","0.71073","MoKα","","0.0888","0.0504","","","0.0909","0.1013","","","","","","1.035","","","","has coordinates","260015","2020-12-19","06:04:26",""
"7241901","10.9749","0.0008","12.9394","0.001","14.3221","0.0011","74.898","0.004","89.703","0.003","72.437","0.003","1866.1","0.3","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 O11 Os3 P2 -","- C36 H28 O11 Os3 P2 -","- C72 H56 O22 Os6 P4 -","2","1","","Joy, Md. Tuhinur R.; Bhoumik, Nikhil C.; Ghosh, Shishir; Richmond, Michael G.; Kabir, Shariff E.","A new synthetic route for the preparation of [Os3(CO)10(μ-OH)(μ-H)] and its reaction with bis(diphenylphosphino)methane (dppm): syntheses and X-ray structures of two isomers of [Os3(CO)8(μ-OH)(μ-H)(μ-dppm)] and [Os3(CO)7(μ3-CO)(μ3-O)(μ-dppm)]","RSC Advances","2020","10","73","44699","44711","10.1039/D0RA08783A","","","0.71073","MoKα","","0.0221","0.0176","","","0.0363","0.0377","","","","","","1.04","","","","has coordinates","260015","2020-12-19","06:04:26",""
"7241929","8.492","0.006","13.445","0.006","13.518","0.006","83.69","0.009","86.778","0.009","85.131","0.006","1526.8","1.4","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H29 Ag N4 O12 -","- C32 H29 Ag N4 O12 -","- C64 H58 Ag2 N8 O24 -","2","1","","Ma, Jianxin; Wang, Yue; Liu, Guocheng; Xu, Na; Wang, Xiuli","A pH-stable Ag(i) multifunctional luminescent sensor for the efficient detection of organic solvents, organochlorine pesticides and heavy metal ions","RSC Advances","2020","10","73","44712","44718","10.1039/D0RA08991E","","x-ray","0.71073","MoKα","K-L~3~","0.1548","0.0842","","","0.2376","0.2803","","","","","","0.981","","","","has coordinates,has disorder","260039","2020-12-20","05:02:06",""
"7241934","6.8671","0.0006","9.1774","0.0014","14.373","0.003","108.299","0.017","91.374","0.012","94.052","0.01","856.8","0.2","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 N4 O2 -","- C20 H16 N4 O2 -","- C40 H32 N8 O4 -","2","1","","Sahu, Meman; Manna, Amit Kumar; Chowdhury, Shubhamoy; Patra, Goutam Kumar","A novel dihydro phenylquinazolinone-based two-in-one colourimetric chemosensor for nickel(ii), copper(ii) and its copper complex for the fluorescent colourimetric nanomolar detection of the cyanide anion","RSC Advances","2020","10","73","44860","44875","10.1039/D0RA09023A","","","0.71073","MoKα","","0.0718","0.0469","","","0.0911","0.1047","","","","","","1.0492","","","","has coordinates","260112","2020-12-23","05:26:50",""
"7241935","12.756","0.0009","14.7694","0.0011","15.2714","0.0012","97.98","0.002","111.813","0.002","107.16","0.002","2450.1","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C55 H70 O10 -","- C55 H70 O10 -","- C110 H140 O20 -","2","1","","Li, Bin; Xu, Kaidi; Wang, Yiliang; Su, Hang; Cui, Lei; Li, Chunju","Selective complexation and efficient separation of cis/trans-1,2-dichloroethene isomers by a pillar[5]arene","RSC Advances","2020","10","73","45112","45115","10.1039/D0RA09307F","","","0.71073","MoKα","","0.0916","0.0527","","","0.1112","0.1326","","","","","","1.044","","","","has coordinates","260113","2020-12-23","05:27:27",""
"7241936","22.214","0.004","20.8","0.004","25.875","0.005","90","","100.33","0.03","90","","11762","4","153","2","153.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C118 H147 Cl8 O20 -","- C118 H147 Cl8 O20 -","- C472 H588 Cl32 O80 -","4","1","","Li, Bin; Xu, Kaidi; Wang, Yiliang; Su, Hang; Cui, Lei; Li, Chunju","Selective complexation and efficient separation of cis/trans-1,2-dichloroethene isomers by a pillar[5]arene","RSC Advances","2020","10","73","45112","45115","10.1039/D0RA09307F","","","0.71073","MoKα","","0.1781","0.1578","","","0.4057","0.4279","","","","","","1.139","","","","has coordinates,has disorder","260113","2020-12-23","05:27:27",""
"7241937","9.8","0.0004","12.7411","0.0005","16.7622","0.0006","90","","100.024","0.0013","90","","2061.03","0.14","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H38 Br N O4 -","- C16 H38 Br N O4 -","- C64 H152 Br4 N4 O16 -","4","1","","Hull, Katherine L.; Schipper, Desmond E.; Oliver, Allen G.","Synthesis and structural characterization of CO2-soluble oxidizers [Bu4N]BrO3 and [Bu4N]ClO3 and their dissolution in cosolvent-modified CO2 for reservoir applications","RSC Advances","2020","10","73","44973","44980","10.1039/D0RA09563J","","","0.71073","MoKα","","0.0325","0.0244","","","0.0538","0.0571","","","","","","1.026","","","","has coordinates","260114","2020-12-23","05:28:57",""
"7241938","9.4093","0.0011","19.713","0.002","16.8064","0.0019","90","","103.68","0.004","90","","3028.9","0.6","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 Cl N O3 P2 -","- C36 H30 Cl N O3 P2 -","- C144 H120 Cl4 N4 O12 P8 -","4","1","","Hull, Katherine L.; Schipper, Desmond E.; Oliver, Allen G.","Synthesis and structural characterization of CO2-soluble oxidizers [Bu4N]BrO3 and [Bu4N]ClO3 and their dissolution in cosolvent-modified CO2 for reservoir applications","RSC Advances","2020","10","73","44973","44980","10.1039/D0RA09563J","","","0.71073","MoKα","","0.0604","0.0486","","","0.1078","0.113","","","","","","1.109","","","","has coordinates","260114","2020-12-23","05:29:07",""
"7241939","9.4724","0.0004","19.7442","0.0009","16.8171","0.0007","90","","103.818","0.0013","90","","3054.2","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 Br N O3 P2 -","- C36 H30 Br N O3 P2 -","- C144 H120 Br4 N4 O12 P8 -","4","1","","Hull, Katherine L.; Schipper, Desmond E.; Oliver, Allen G.","Synthesis and structural characterization of CO2-soluble oxidizers [Bu4N]BrO3 and [Bu4N]ClO3 and their dissolution in cosolvent-modified CO2 for reservoir applications","RSC Advances","2020","10","73","44973","44980","10.1039/D0RA09563J","","","0.71073","MoKα","","0.0393","0.0307","","","0.0663","0.0701","","","","","","1.049","","","","has coordinates","260114","2020-12-23","05:29:07",""
"7241940","12.0476","0.0016","24.535","0.003","14.501","0.002","90","","114.01","0.002","90","","3915.4","0.9","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H36 Cl N O3 -","- C16 H36 Cl N O3 -","- C128 H288 Cl8 N8 O24 -","8","2","","Hull, Katherine L.; Schipper, Desmond E.; Oliver, Allen G.","Synthesis and structural characterization of CO2-soluble oxidizers [Bu4N]BrO3 and [Bu4N]ClO3 and their dissolution in cosolvent-modified CO2 for reservoir applications","RSC Advances","2020","10","73","44973","44980","10.1039/D0RA09563J","","","0.71073","MoKα","","0.0602","0.0447","","","0.1113","0.121","","","","","","1.025","","","","has coordinates,has disorder","260114","2020-12-23","05:29:07",""
"7241941","8.9127","0.0004","9.861","0.0005","17.5409","0.0009","104.4","0.2","96.3","0.2","97.5","0.2","1464.1","1.9","100","","100","","","","","","","","","6","P -1","-P 1","2","","'[Co(hfacac)4(BisPyBz)2]'","","- C28 H18 Co F12 N2 O4 -","- C28 H18 Co F12 N2 O4 -","- C56 H36 Co2 F24 N4 O8 -","2","1","","Portolés-Gil, Núria; Gómez-Coca, Silvia; Vallcorba, Oriol; Marbán, Gregorio; Aliaga-Alcalde, Núria; López-Periago, Ana; Ayllón, José A.; Domingo, Concepción","Single molecule magnets of cobalt and zinc homo- and heterometallic coordination polymers prepared by a one-step synthetic procedure","RSC Advances","2020","10","73","45090","45104","10.1039/D0RA09132D","powder diffraction","","0.61978","Synchrotron","","","","","","","","","0.032","8.158","","","","","","","has coordinates","260115","2020-12-23","05:30:15",""
"7241942","8.9","0.002","9.894","0.0013","17.511","0.0017","104.699","0.01","96.02","0.02","97.45","0.03","1463.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[Zn(hfacac)4(BisPyBz)2]","","- C28 H18 F12 N2 O4 Zn -","- C28 H18 F12 N2 O4 Zn -","- C56 H36 F24 N4 O8 Zn2 -","2","1","","Portolés-Gil, Núria; Gómez-Coca, Silvia; Vallcorba, Oriol; Marbán, Gregorio; Aliaga-Alcalde, Núria; López-Periago, Ana; Ayllón, José A.; Domingo, Concepción","Single molecule magnets of cobalt and zinc homo- and heterometallic coordination polymers prepared by a one-step synthetic procedure","RSC Advances","2020","10","73","45090","45104","10.1039/D0RA09132D","","","0.72932","synchrotron","","0.0348","0.0331","","","0.0838","0.085","","","","","","1.063","","","","has coordinates,has disorder","260115","2020-12-23","05:30:16",""
"7241943","8.93","0.007","9.88","0.005","17.57","0.009","104.57","0.06","96.38","0.03","97.45","0.08","1470.9","1.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","[CoZn(hfacac)4(BisPyBz)2]","","- C28 H18 Co0.47 F12 N2 O4 Zn0.53 -","- C28 H18 Co0.466 F12 N2 O4 Zn0.534 -","- C56 H36 Co0.932 F24 N4 O8 Zn1.068 -","2","1","","Portolés-Gil, Núria; Gómez-Coca, Silvia; Vallcorba, Oriol; Marbán, Gregorio; Aliaga-Alcalde, Núria; López-Periago, Ana; Ayllón, José A.; Domingo, Concepción","Single molecule magnets of cobalt and zinc homo- and heterometallic coordination polymers prepared by a one-step synthetic procedure","RSC Advances","2020","10","73","45090","45104","10.1039/D0RA09132D","","","0.72929","synchrotron","","0.0357","0.0348","","","0.0964","0.0971","","","","","","1.065","","","","has coordinates,has disorder","260115","2020-12-23","05:30:16",""
"7241944","8.7704","0.00007","9.1599","0.00006","10.043","0.00011","62.972","0.0006","71.41","0.0007","80.889","0.0006","681.112","0.011","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[Co(hfacac)4(BisPyBz)2]","","- C14 H9 Co0.5 F6 N O2 -","- C14 H9 Co0.5 F6 N O2 -","- C28 H18 Co F12 N2 O4 -","2","1","","Portolés-Gil, Núria; Gómez-Coca, Silvia; Vallcorba, Oriol; Marbán, Gregorio; Aliaga-Alcalde, Núria; López-Periago, Ana; Ayllón, José A.; Domingo, Concepción","Single molecule magnets of cobalt and zinc homo- and heterometallic coordination polymers prepared by a one-step synthetic procedure","RSC Advances","2020","10","73","45090","45104","10.1039/D0RA09132D","","","0.72931","synchrotron","","0.0289","0.0288","","","0.079","0.0794","","","","","","1.096","","","","has coordinates","260115","2020-12-23","05:30:16",""
"8000325","5.124","0.003","5.124","0.003","9.039","0.005","90","","90","","90","","237.3","0.2","295","2","295.15","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C H6 I N -","- C H6 I N -","- C2 H12 I2 N2 -","2","0.125","","Wang, Ryan Taoran; Xu, Alex Fan; Chen, Jason Yuanzhe; Yang, Lory Wenjuan; Xu, Gu; Jarvis, Victoria; Britten, James F.","Reversing Organic-Inorganic Hybrid Perovskite Degradation in Water via pH and Hydrogen Bonds.","The journal of physical chemistry letters","2019","10","22","7245","7250","10.1021/acs.jpclett.9b02972","","","0.71073","MoKα","","0.0399","0.037","","","0.0952","0.0976","","","","","","1.16","","","","has coordinates,has disorder","246581","2020-10-21","18:00:00",""
"8000326","9.0182","0.0002","24.4582","0.0005","8.5723","0.0002","90","","116.569","0.003","90","","1691.11","0.08","100","0.02","100","0.02","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","caffeine:3-hydroxy-2-naphthoic acid","caffeine:3-hydroxy-2-naphthoic acid","","- C19 H18 N5 O4 -","- C19 H18 N4 O5 -","- C76 H72 N16 O20 -","4","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.0582","0.0467","","","0.1195","0.1247","","","","","","1.066","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000327","9.0479","0.0003","24.4512","0.0006","8.63","0.0003","90","","116.789","0.004","90","","1704.32","0.11","150","0.02","150","0.02","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N5 O4 -","- C19 H18 N4 O5 -","- C76 H72 N16 O20 -","4","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.0721","0.0511","","","0.1309","0.1404","","","","","","1.041","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000328","9.0743","0.0003","24.4428","0.0006","8.6752","0.0003","90","","117.006","0.004","90","","1714.36","0.11","200","0.02","200","0.02","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N5 O4 -","- C19 H18 N4 O5 -","- C76 H72 N16 O20 -","4","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.081","0.0539","","","0.1422","0.1536","","","","","","1.022","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000329","9.0145","0.0002","24.45","0.0005","8.565","0.0002","90","","116.585","0.003","90","","1688.17","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","caffeine:3-hydroxy-2-naphthoic acid","","","- C19 H18 N4 O5 -","- C19 H18 N4 O5 -","- C76 H72 N16 O20 -","4","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.057","0.034","","","","0.065","","","","","","1.366","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000330","7.3987","0.0002","7.8597","0.0002","13.983","0.0003","79.178","0.002","76.444","0.002","67.127","0.003","724.07","0.04","100","0.02","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N6 O6 -","- C13 H14 N6 O6 -","- C26 H28 N12 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.0415","0.0362","","","0.097","0.1","","","","","","1.063","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000331","7.4335","0.0003","7.8619","0.0003","14.0401","0.0004","78.971","0.003","76.114","0.003","67.082","0.003","729.26","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N6 O6 -","- C13 H14 N6 O6 -","- C26 H28 N12 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.0489","0.0405","","","0.1076","0.1128","","","","","","1.061","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000332","7.45886","0.00019","7.8664","0.0002","14.0846","0.0003","78.745","0.002","75.831","0.002","67.053","0.003","733.24","0.03","200","0.02","200","0.02","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 N6 O6 -","- C13 H14 N6 O6 -","- C26 H28 N12 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.0474","0.0393","","","0.1084","0.1131","","","","","","1.074","","","","has coordinates,has disorder","246582","2020-10-21","18:00:00",""
"8000333","7.4144","0.0001","7.8692","0.0002","13.9978","0.0002","79.205","0.002","76.448","0.002","67.097","0.002","727.15","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","caffeine:3,5-pyrazoledicarboxylic acid","","","- C13 H14 N6 O6 -","- C13 H14 N6 O6 -","- C26 H28 N12 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.034","0.023","","","","0.053","","","","","","1.116","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000334","7.47","0.0003","7.83","0.0003","14.1","0.0008","78.2","0.004","75.3","0.004","66.7","0.004","727.61","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N6 O6 -","- C13 H14 N6 O6 -","- C26 H28 N12 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","","0.85","neutrons","","0.0968","0.0582","","","0.1222","0.1382","","","","","","1.075","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000335","7.47","0.0003","7.83","0.0003","14.1","0.0008","78.2","0.004","75.3","0.004","66.7","0.004","727.61","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N6 O6 -","- C13 H14 N6 O6 -","- C26 H28 N12 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","","0.85","neutrons","","0.0917","0.0537","","","0.1073","0.1212","","","","","","1.093","","","","has coordinates,has disorder","246582","2020-10-21","18:00:00",""
"8000336","6.79266","0.00012","7.42265","0.00013","20.4135","0.0003","93.5078","0.0014","99.2464","0.0014","90.7721","0.0014","1013.68","0.03","100","0.02","100","0.02","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 F4 N4 O6 -","- C21 H16 F4 N4 O6 -","- C42 H32 F8 N8 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.0432","0.0368","","","0.1046","0.1093","","","","","","1.025","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000337","6.80954","0.00016","7.4556","0.0002","20.4333","0.0005","93.733","0.002","99.374","0.002","90.457","0.002","1021.18","0.04","150","0.02","150","0.02","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 F4 N4 O6 -","- C21 H16 F4 N4 O6 -","- C42 H32 F8 N8 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.0594","0.045","","","0.1197","0.1305","","","","","","1.027","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000338","6.8289","0.0002","7.4919","0.0002","20.4608","0.0005","94.001","0.002","99.524","0.003","90.156","0.003","1029.75","0.05","200","0.02","200","0.02","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 F4 N4 O6 -","- C21 H16 F4 N4 O6 -","- C42 H32 F8 N8 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.0714","0.0487","","","0.1303","0.1418","","","","","","1.048","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000339","6.7952","0.0001","7.4236","0.0001","20.4083","0.0002","93.501","0.001","99.23","0.001","90.718","0.001","1014.01","0.02","100","2","100.01","0.13","","","","","","","","5","P -1","-P 1","2","theophylline:2,5-diflurobenzoic acid","","","- C21 H16 F4 N4 O6 -","- C21 H16 F4 N4 O6 -","- C42 H32 F8 N8 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.048","0.026","","","","0.05","","","","","","1.085","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000340","6.8745","0.0002","7.5733","0.0003","20.5303","0.0006","94.526","0.003","99.28","0.002","90.55","0.003","1051.31","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 F4 N4 O6 -","- C21 H16 F4 N4 O6 -","- C42 H32 F8 N8 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","","0.85","neutrons","","0.2262","0.0823","","","0.0957","0.127","","","","","","1.077","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000341","6.8745","0.0002","7.5733","0.0003","20.5303","0.0006","94.526","0.003","99.28","0.002","90.55","0.003","1051.31","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 F4 N4 O6 -","- C21 H16 F4 N4 O6 -","- C42 H32 F8 N8 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","","0.85","neutrons","","0.2277","0.0846","","","0.1004","0.1327","","","","","","1.086","","","","has coordinates,has disorder","246582","2020-10-21","18:00:00",""
"8000342","3.80841","0.00013","8.3454","0.0003","8.5998","0.0003","81.922","0.003","80.362","0.003","85.796","0.003","266.446","0.016","100","0.02","100","0.02","","","","","","","","4","P -1","-P 1","2","2,3,5,6-tetramethylpyrazine:oxalic acid","","","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","1","0.5","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.0407","0.0359","","","0.1064","0.1097","","","","","","1.065","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000343","3.84026","0.00019","8.3386","0.0004","8.6155","0.0005","82.02","0.004","80.617","0.004","86.006","0.004","269.25","0.02","150","0.02","150","0.02","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","1","0.5","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.0434","0.0383","","","0.1161","0.1194","","","","","","1.067","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000344","3.87078","0.00013","8.3374","0.0003","8.6101","0.0003","82.173","0.003","80.895","0.003","86.179","0.003","271.521","0.017","200","0.02","200","0.02","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","1","0.5","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.0542","0.0456","","","0.1383","0.1454","","","","","","1.051","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000345","3.8078","0.0001","8.3463","0.0002","8.5971","0.0003","81.918","0.002","80.381","0.002","85.89","0.002","266.383","0.013","100","2","100","0.1","","","","","","","","4","P -1","-P 1","2","2,3,5,6-tetramethylpyrazine:oxalic acid","","","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","1","0.5","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.029","0.018","","","","0.044","","","","","","1.171","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000346","3.9491","0.0003","8.3309","0.0005","8.6409","0.0004","82.304","0.005","81.08","0.006","86.244","0.006","278.02","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","1","0.5","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","","0.85","neutrons","","0.12","0.0778","","","0.1703","0.1924","","","","","","1.102","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000347","3.9491","0.0003","8.3309","0.0005","8.6409","0.0004","82.304","0.005","81.08","0.006","86.244","0.006","278.02","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","1","0.5","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","","0.85","neutrons","","0.1044","0.0625","","","0.1432","0.1616","","","","","","1.196","","","","has coordinates,has disorder","246582","2020-10-21","18:00:00",""
"8000391","34.557","0.003","22.3796","0.0019","32.859","0.003","90","","90","","90","","25412","4","160","","160","","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C216 H144 Cu25 F36 P12 -","- C216 H144 Cu25 F36 P12 -","- C864 H576 Cu100 F144 P48 -","4","1","","Chen, Along; Kang, Xi; Jin, Shan; Du, Wenjun; Wang, Shuxin; Zhu, Manzhou","Gram-Scale Preparation of Stable Hydride M@Cu<sub>24</sub> (M = Au/Cu) Nanoclusters.","The journal of physical chemistry letters","2019","10","20","6124","6128","10.1021/acs.jpclett.9b02297","","","0.71073","MoKα","","0.1692","0.0956","","","0.2458","0.2819","","","","","","0.984","","","","has coordinates","236666","2020-10-21","18:00:00",""
"8000392","34.5313","0.0012","22.4275","0.0009","32.5487","0.0014","90","","90","","90","","25207.4","1.7","170","","170","","","","","","","","","6","P n c 2","P 2 -2bc","30","","","","- C216 H144 Au Cu24 F36 P12 -","- C216 H144 Au Cu24 F36 P12 -","- C864 H576 Au4 Cu96 F144 P48 -","4","1","","Chen, Along; Kang, Xi; Jin, Shan; Du, Wenjun; Wang, Shuxin; Zhu, Manzhou","Gram-Scale Preparation of Stable Hydride M@Cu<sub>24</sub> (M = Au/Cu) Nanoclusters.","The journal of physical chemistry letters","2019","10","20","6124","6128","10.1021/acs.jpclett.9b02297","","","0.71073","MoKα","","0.1369","0.0758","","","0.1897","0.2154","","","","","","0.94","","","","has coordinates","236668","2020-10-21","18:00:00",""
"8000393","33.383","0.0009","38.6374","0.0011","39.1118","0.001","90","","90","","90","","50448","2","161","","161","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C216 H180 Au Cu24 P12 -","- C216 H180 Au Cu24 P12 -","- C1728 H1440 Au8 Cu192 P96 -","8","1","","Chen, Along; Kang, Xi; Jin, Shan; Du, Wenjun; Wang, Shuxin; Zhu, Manzhou","Gram-Scale Preparation of Stable Hydride M@Cu<sub>24</sub> (M = Au/Cu) Nanoclusters.","The journal of physical chemistry letters","2019","10","20","6124","6128","10.1021/acs.jpclett.9b02297","","","0.71073","MoKα","","0.1036","0.0534","","","0.1259","0.1428","","","","","","0.97","","","","has coordinates","236670","2020-10-21","18:00:00",""
"8000394","35.5019","0.0005","16.1885","0.0002","33.0801","0.0005","90","","112.283","0.002","90","","17592.1","0.5","120","0.1","120","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C202 H181 N10 S -","- C202 H180.994 N10 S1.0064 -","- C808 H723.974 N40 S4.0256 -","4","0.5","","Zhou, Xuehong; Zhao, Manlin; Zhou, Jiadong; Liu, Linlin; Ma, Yuguang","Polarized Species in an Organic Semiconductor Laser.","The journal of physical chemistry letters","2019","10","24","7905","7909","10.1021/acs.jpclett.9b03198","","x-ray","1.54184","CuKα","","0.0568","0.0516","","","0.1528","0.1575","","","","","","1.031","","","","has coordinates,has disorder","246580","2020-10-21","18:00:00",""
"9000001","5.93","","5.93","","5.93","","90","","90","","90","","208.528","","","","","","","","","","","","Colorado, USA","2","F m -3 m","-F 4 2 3","225","","","Galena","- Pb S -","- Pb S -","- Pb4 S4 -","4","0.0208333","","Ramsdell, L. S.","The crystal structures of some metallic sulfides","American Mineralogist","1925","10","","281","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:58",""
"9000002","6.14","","6.14","","6.14","","90","","90","","90","","231.476","","","","","","","","","","","","Synthetic","2","F m -3 m","-F 4 2 3","225","","","Clausthalite","- Pb Se -","- Pb Se -","- Pb4 Se4 -","4","0.0208333","","Ramsdell, L. S.","The crystal structures of some metallic sulfides","American Mineralogist","1925","10","","281","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000003","6.34","","6.34","","6.34","","90","","90","","90","","254.84","","","","","","","","","","","","Synthetic","2","F m -3 m","-F 4 2 3","225","","","Altaite","- Pb Te -","- Pb Te -","- Pb4 Te4 -","4","0.0208333","","Ramsdell, L. S.","The crystal structures of some metallic sulfides","American Mineralogist","1925","10","","281","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000004","4.15","","4.15","","9.51","","90","","90","","120","","141.843","","","","","","","","","","","","unknown","2","P 32 2 1","P 32 2""","154","","","Cinnabar","- Hg S -","- Hg S -","- Hg3 S3 -","3","0.5","","Ramsdell, L. S.","The crystal structures of some metallic sulfides","American Mineralogist","1925","10","","281","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9004070","2.952","","2.952","","4.773","","90","","90","","120","","36.021","","","","","","","","","","","","Hi-Ho mine, Cobalt, Ontario, Canada","3","P 63/m m c","-P 6c 2c","194","","","Allargentum","- Ag0.865 Hg0.001 Sb0.134 -","- Ag0.865 Hg0.001 Sb0.134 -","- Ag1.73 Hg0.002 Sb0.268 -","2","0.0833333","","Petruk, W.; Cabri, L. J.; Harris, D. C.; Stewart, J. M.; Clark, L. A.","Allargentum, redefined","The Canadian Mineralogist","1970","10","","163","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004071","7.716","","7.716","","5.089","","90","","90","","90","","302.982","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","Gehlenite","- Al0.729 Ca0.968 O5.265 Si0.488 -","- Al0.729 Ca0.968 O5.265 Si0.488 -","- Al1.458 Ca1.936 O10.53 Si0.976 -","2","0.25","","Louisnathan S J","Refinement of the crystal structure of a natural gehlenite, Ca2Al(Al,Si)2O7","The Canadian Mineralogist","1971","10","","822","837","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9005322","9.001","","9.001","","9.001","","90","","90","","90","","729.243","","","","","","","","","","","","","5","P 2 3","P 2 2 3","195","","","Nosean","- C Al6 Na8 O27 Si6 -","- C Al6 Na8 O27.0001 Si6 -","- C Al6 Na8 O27.0001 Si6 -","1","0.0833333","","Gesing, T. M.; Buhl, J.-C.","Crystal structure of a carbonate-nosean Na8[AlSiO4]6CO3","European Journal of Mineralogy","1998","10","","71","77","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005323","9.01","","6.246","","7.391","","90","","115.52","","90","","375.358","","","","","","","","","","","","Tsumeb mine, Namibia","6","C 1 2/m 1","-C 2y","12","","","Ferrilotharmeyerite","- As2 Ca Fe0.994 H2 O10 Zn1.006 -","- As2 Ca Fe0.994 H2 O10 Zn1.006 -","- As4 Ca2 Fe1.988 H4 O20 Zn2.012 -","2","0.25","","Krause, W.; Belendorff, K.; Bernhardt, H. J.; McCammon, C. A.; Effenberger, H.; Mikenda, W.","Crystal chemistry of the tsumcorite-group minerals. New data on ferrilotharmeyerite, tsumcorite, thometzekite, mounanaite, helmutwinklerite, and a redefinition of gartrellite","European Journal of Mineralogy","1998","10","","179","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:46",""
"9005324","9.077","","6.3","","7.661","","90","","116.99","","90","","390.38","","","","","","","","","","","","Tsumeb mine, Namibia","6","C 1 2/m 1","-C 2y","12","","","Thometzekite","- As1.234 Cu2 H2 O10 Pb S0.766 -","- As1.234 Cu2 H2 O10 Pb S0.766 -","- As2.468 Cu4 H4 O20 Pb2 S1.532 -","2","0.25","","Krause, W.; Belendorff, K.; Bernhardt, H. J.; McCammon, C. A.; Effenberger, H.; Mikenda, W.","Crystal chemistry of the tsumcorite-group minerals. New data on ferrilotharmeyerite, tsumcorite, thometzekite, mounanaite, helmutwinklerite, and a redefinition of gartrellite","European Journal of Mineralogy","1998","10","","179","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:50",""
"9005325","9.294","","6.166","","7.713","","90","","115.57","","90","","398.717","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","Mounanaite","- F2 Fe2 O8 Pb V2 -","- F2 Fe2 O8 Pb V2 -","- F4 Fe4 O16 Pb2 V4 -","2","0.25","","Krause, W.; Belendorff, K.; Bernhardt, H. J.; McCammon, C. A.; Effenberger, H.; Mikenda, W.","Crystal chemistry of the tsumcorite-group minerals. New data on ferrilotharmeyerite, tsumcorite, thometzekite, mounanaite, helmutwinklerite, and a redefinition of gartrellite","European Journal of Mineralogy","1998","10","","179","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005326","5.431","","5.642","","7.573","","67.62","","69.57","","70.31","","195.422","","","","","","","","","","","","Tsumeb mine, Namibia","6","P -1","-P 1","2","","","Gartrellite","- As2 Cu Fe H2 O10 Pb -","- As2 Cu Fe H2 O10 Pb -","- As2 Cu Fe H2 O10 Pb -","1","0.5","","Krause, W.; Belendorff, K.; Bernhardt, H. J.; McCammon, C. A.; Effenberger, H.; Mikenda, W.","Crystal chemistry of the tsumcorite-group minerals. New data on ferrilotharmeyerite, tsumcorite, thometzekite, mounanaite, helmutwinklerite, and a redefinition of gartrellite","European Journal of Mineralogy","1998","10","","179","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:52:02",""
"9005327","5.606","","5.61","","7.617","","70.19","","69.91","","69.18","","203.771","","","","","","","","","","","","Tsumeb mine, Namibia","5","P -1","-P 1","2","","","Helmutwinklerite","- As2 H2 O10 Pb Zn2 -","- As2 H2 O10 Pb Zn2 -","- As2 H2 O10 Pb Zn2 -","1","0.5","","Krause, W.; Belendorff, K.; Bernhardt, H. J.; McCammon, C. A.; Effenberger, H.; Mikenda, W.","Crystal chemistry of the tsumcorite-group minerals. New data on ferrilotharmeyerite, tsumcorite, thometzekite, mounanaite, helmutwinklerite, and a redefinition of gartrellite","European Journal of Mineralogy","1998","10","","179","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:52:02",""
"9005328","14.1686","","14.1686","","30.0847","","90","","90","","120","","5230.34","","","","","","","","","","","","Kangerdlugssuaq intrusion, East Greenland","18","R 3 m :H","R 3 -2""","160","","","Kentbrooksite","- Al0.13 Ca3.27 Cl0.269 F1.51 Fe0.79 H0.22 Hf0.06 K0.3 Mg0.05 Mn3.68 Na14.479 Nb0.55 O75.81 Si25.1 Sr0.15 Ti0.23 Y0.42 Zr2.93 -","- Al0.1299 Ca3.27 Cl0.2695 F1.5103 Fe0.7899 Hf0.06 K0.3 Mg0.0501 Mn3.6801 Na14.4795 Nb0.55 O75.8101 Si25.1 Sr0.15 Ti0.2299 Y0.42 Zr2.9301 -","- Al0.3897 Ca9.81 Cl0.8085 F4.5309 Fe2.3697 Hf0.18 K0.9 Mg0.1503 Mn11.0403 Na43.4385 Nb1.65 O227.43 Si75.3 Sr0.45 Ti0.6897 Y1.26 Zr8.7903 -","3","0.166667","","Johnsen, O.; Grice, J. D.; Gault, R. A.","Kentbrooksite from the Kangerdlugssuaq intrusion, East Greenland, a new Mn-REE-Nb-F end-member in a series within the eudialyte group: Description and crystal structure","European Journal of Mineralogy","1998","10","","207","219","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005329","9.5374","","9.6127","","6.5233","","90","","90","","90","","598.057","","","","","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","Edingtonite","- Al2 Ba0.9 Ca0.1 H3.809 O13.08 Si3 -","- Al2 Ba0.9 Ca0.1 H6.16 O13.08 Si3 -","- Al4 Ba1.8 Ca0.2 H12.32 O26.16 Si6 -","2","0.5","","Stahl, K.; Hanson, J. C.","An in situ study of the edingtonite dehydration process from X-ray synchrotron powder diffraction Sample: 310 K","European Journal of Mineralogy","1998","10","","221","228","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005330","9.4903","","9.569","","6.529","","90","","90","","90","","592.916","","","","","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","Edingtonite","- Al2 Ba0.9 Ca0.1 H3.809 O12.46 Si3 -","- Al2 Ba0.9 Ca0.1 H4.92 O12.46 Si3 -","- Al4 Ba1.8 Ca0.2 H9.84 O24.92 Si6 -","2","0.5","","Stahl, K.; Hanson, J. C.","An in situ study of the edingtonite dehydration process from X-ray synchrotron powder diffraction Sample: 396 K","European Journal of Mineralogy","1998","10","","221","228","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005331","9.4393","","9.5089","","6.5042","","90","","90","","90","","583.8","","","","","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","Edingtonite","- Al2 Ba0.9 Ca0.1 H3.809 O12.04 Si3 -","- Al2 Ba0.9 Ca0.1 H4.08 O12.04 Si3 -","- Al4 Ba1.8 Ca0.2 H8.16 O24.08 Si6 -","2","0.5","","Stahl, K.; Hanson, J. C.","An in situ study of the edingtonite dehydration process from X-ray synchrotron powder diffraction Sample: 451 K","European Journal of Mineralogy","1998","10","","221","228","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005332","9.3758","","9.4097","","6.5377","","90","","90","","90","","576.779","","","","","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","Edingtonite","- Al2 Ba0.9 Ca0.1 H3.809 O10.68 Si3 -","- Al2 Ba0.9 Ca0.1 H1.36 O10.68 Si3 -","- Al4 Ba1.8 Ca0.2 H2.72 O21.36 Si6 -","2","0.5","","Stahl, K.; Hanson, J. C.","An in situ study of the edingtonite dehydration process from X-ray synchrotron powder diffraction Sample: 643 K","European Journal of Mineralogy","1998","10","","221","228","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005333","9.7483","","8.9246","","5.2505","","90","","105.882","","90","","439.355","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","Diopside","- Ca Mg O6 Si2 -","- Ca Mg O6 Si2 -","- Ca4 Mg4 O24 Si8 -","4","0.5","","Redhammer, G. J.","Mossbauer spectroscopy and Rietveld refinement on synthetic ferri-Tschermak's molecule CaFe3+(Fe3+Si)O6 substituted diopside Sample: Di#S2","European Journal of Mineralogy","1998","10","","439","452","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005334","9.7433","","8.941","","5.2511","","90","","105.936","","90","","439.869","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Diopside","- Ca Fe0.13 Mg0.943 O6 Si1.927 -","- Ca Fe0.13 Mg0.943 O6 Si1.927 -","- Ca4 Fe0.52 Mg3.772 O24 Si7.708 -","4","0.5","","Redhammer, G. J.","Mossbauer spectroscopy and Rietveld refinement on synthetic ferri-Tschermak's molecule CaFe3+(Fe3+Si)O6 substituted diopside Sample: fts6/#2","European Journal of Mineralogy","1998","10","","439","452","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005335","9.76","","8.9236","","5.267","","90","","105.89","","90","","441.198","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Diopside","- Ca Fe0.205 Mg0.895 O6 Si1.9 -","- Ca Fe0.205 Mg0.895 O6 Si1.9 -","- Ca4 Fe0.82 Mg3.58 O24 Si7.6 -","4","0.5","","Redhammer, G. J.","Mossbauer spectroscopy and Rietveld refinement on synthetic ferri-Tschermak's molecule CaFe3+(Fe3+Si)O6 substituted diopside Sample: fts10/#2","European Journal of Mineralogy","1998","10","","439","452","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005336","9.7578","","8.9226","","5.2639","","90","","105.886","","90","","440.798","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Diopside-ferrian","- Ca Fe0.194 Mg0.906 O6 Si1.9 -","- Ca Fe0.194 Mg0.906 O6 Si1.9 -","- Ca4 Fe0.776 Mg3.624 O24 Si7.6 -","4","0.5","","Redhammer, G. J.","Mossbauer spectroscopy and Rietveld refinement on synthetic ferri-Tschermak's molecule CaFe3+(Fe3+Si)O6 substituted diopside Sample: fts10/#3","European Journal of Mineralogy","1998","10","","439","452","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005337","9.7646","","8.92","","5.2709","","90","","105.889","","90","","441.556","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Diopside-ferrian","- Ca Fe0.267 Mg0.857 O6 Si1.876 -","- Ca Fe0.267 Mg0.857 O6 Si1.876 -","- Ca4 Fe1.068 Mg3.428 O24 Si7.504 -","4","0.5","","Redhammer, G. J.","Mossbauer spectroscopy and Rietveld refinement on synthetic ferri-Tschermak's molecule CaFe3+(Fe3+Si)O6 substituted diopside Sample: fts15/#2","European Journal of Mineralogy","1998","10","","439","452","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005338","9.7724","","8.9176","","5.2837","","90","","105.881","","90","","442.881","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Diopside-ferrian","- Ca Fe0.445 Mg0.805 O6 Si1.75 -","- Ca Fe0.445 Mg0.805 O6 Si1.75 -","- Ca4 Fe1.78 Mg3.22 O24 Si7 -","4","0.5","","Redhammer, G. J.","Mossbauer spectroscopy and Rietveld refinement on synthetic ferri-Tschermak's molecule CaFe3+(Fe3+Si)O6 substituted diopside Sample: fts20/#2","European Journal of Mineralogy","1998","10","","439","452","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005339","9.7844","","8.9132","","5.2989","","90","","105.883","","90","","444.476","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Diopside-subsilisic","- Ca Fe0.597 Mg0.733 O6 Si1.67 -","- Ca Fe0.597 Mg0.733 O6 Si1.67 -","- Ca4 Fe2.388 Mg2.932 O24 Si6.68 -","4","0.5","","Redhammer, G. J.","Mossbauer spectroscopy and Rietveld refinement on synthetic ferri-Tschermak's molecule CaFe3+(Fe3+Si)O6 substituted diopside Sample: fts30/#2","European Journal of Mineralogy","1998","10","","439","452","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005340","9.8007","","8.9002","","5.3214","","90","","105.856","","90","","446.515","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Diopside-subsilisic","- Ca Fe0.759 Mg0.641 O6 Si1.2 -","- Ca Fe0.759 Mg0.641 O6 Si1.2 -","- Ca4 Fe3.036 Mg2.564 O24 Si4.8 -","4","0.5","","Redhammer, G. J.","Mossbauer spectroscopy and Rietveld refinement on synthetic ferri-Tschermak's molecule CaFe3+(Fe3+Si)O6 substituted diopside Sample: fts40/#1","European Journal of Mineralogy","1998","10","","439","452","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005341","7.8791","","16.5425","","5.6329","","90","","90","","90","","734.192","","","","","","","","","","","synthesized at 25 kbar","","4","C c m m","-C 2c 2c","63","","","Staurolite","- Al4.39 Mg0.9 O12 Si1.96 -","- Al4.39 Mg0.9 O12 Si1.96 -","- Al17.56 Mg3.6 O48 Si7.84 -","4","0.25","","Koch-Muller M; Kahlenberg, V.; Bubenick, W.; Gottschalk, M.","Crystal-structure refinement of synthetic Fe- and Mg-staurolite by Rietveld analysis of X-ray powder-diffraction data Sample: Mg-staurolite synthesized at 25 kbar","European Journal of Mineralogy","1998","10","","453","460","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005342","7.8719","","16.6231","","5.6583","","90","","90","","90","","740.419","","","","","","","","","","","synthesized at 25 kbar","","4","C c m m","-C 2c 2c","63","","","Staurolite","- Al2.305 Fe0.44 O6 Si0.95 -","- Al2.305 Fe0.44 O6 Si0.95 -","- Al18.44 Fe3.52 O48 Si7.6 -","8","0.5","","Koch-Muller M; Kahlenberg, V.; Bubenick, W.; Gottschalk, M.","Crystal-structure refinement of synthetic Fe- and Mg-staurolite by Rietveld analysis of X-ray powder-diffraction data Sample: Fe-staurolite synthesized at 25 kbar","European Journal of Mineralogy","1998","10","","453","460","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005343","7.8783","","16.6172","","5.6591","","90","","90","","90","","740.863","","","","","","","","","","","synthesized at 5 kbar","","4","C c m m","-C 2c 2c","63","","","Staurolite","- Al2.29 Fe0.455 O6 Si0.95 -","- Al2.29 Fe0.455 O6 Si0.95 -","- Al18.32 Fe3.64 O48 Si7.6 -","8","0.5","","Koch-Muller M; Kahlenberg, V.; Bubenick, W.; Gottschalk, M.","Crystal-structure refinement of synthetic Fe- and Mg-staurolite by Rietveld analysis of X-ray powder-diffraction data Sample: Fe-staurolite synthesized at 5 kbar Note: These coordinates do not reproduce the reported bond lengths, but Koch-Muller tells me that the coordinates are correct, and the reported bond lengths were incorrect.","European Journal of Mineralogy","1998","10","","453","460","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005344","17.738","","17.974","","7.416","","90","","115.91","","90","","2126.73","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","Heulandite","- Al2.197 H38.907 N2.24 O22.88 Si6.803 -","- Al2.197 H17.26 N2.24 O22.88 Si6.803 -","- Al8.788 H69.04 N8.96 O91.52 Si27.212 -","4","0.5","","Yang, P.; Armbruster, T.","X-ray single-crystal structure refinement of NH4-exchanged heulandite at 100 K","European Journal of Mineralogy","1998","10","","461","471","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005345","8.1115","","8.1115","","8.1115","","90","","90","","90","","533.708","","","","","","","","","","","","xenoliths of the Alban Hills, Italy volcanic region","7","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.88 Fe0.225 Mg0.887 Mn0.005 Ni2 O4 Zn0.001 -","- Al1.8802 Cr0.0002 Fe0.2246 Mg0.8865 Mn0.0052 Ni2 O4 Si0.0007 Ti0.0005 Zn0.0012 -","- Al15.0416 Cr0.0016 Fe1.7968 Mg7.092 Mn0.0416 Ni16 O32 Si0.0056 Ti0.004 Zn0.0096 -","8","0.0416667","","Lucchesi, S.; Amoriello, M.; Della Giusta, A.","Crystal chemistry of spinels from xenoliths of the Alban Hills volcanic region Sample: SP46c","European Journal of Mineralogy","1998","10","","473","482","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005346","8.1103","","8.1103","","8.1103","","90","","90","","90","","533.471","","","","","","","","","","","","xenoliths of the Alban Hills, Italy volcanic region","6","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.897 Fe0.227 Mg0.866 Mn0.005 O4 Zn0.002 -","- Al1.8972 Cr0.0004 Fe0.2271 Mg0.866 Mn0.0055 O4 Si0.0006 Ti0.0004 Zn0.0021 -","- Al15.1776 Cr0.0032 Fe1.8168 Mg6.928 Mn0.044 O32 Si0.0048 Ti0.0032 Zn0.0168 -","8","0.0416667","","Lucchesi, S.; Amoriello, M.; Della Giusta, A.","Crystal chemistry of spinels from xenoliths of the Alban Hills volcanic region Sample: SP46g","European Journal of Mineralogy","1998","10","","473","482","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005347","8.1088","","8.1088","","8.1088","","90","","90","","90","","533.175","","","","","","","","","","","","xenoliths of the Alban Hills, Italy volcanic region","6","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.889 Fe0.192 Mg0.904 Mn0.006 O4 Zn0.007 -","- Al1.8893 Cr0.0004 Fe0.1922 Mg0.9036 Mn0.0056 Ni0.0002 O4 Si0.0008 Zn0.0069 -","- Al15.1144 Cr0.0032 Fe1.5376 Mg7.2288 Mn0.0448 Ni0.0016 O32 Si0.0064 Zn0.0552 -","8","0.0416667","","Lucchesi, S.; Amoriello, M.; Della Giusta, A.","Crystal chemistry of spinels from xenoliths of the Alban Hills volcanic region Sample: SP178c","European Journal of Mineralogy","1998","10","","473","482","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005348","8.1011","","8.1011","","8.1011","","90","","90","","90","","531.658","","","","","","","","","","","","xenoliths of the Alban Hills, Italy volcanic region","6","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.942 Fe0.141 Mg0.895 Mn0.01 O4 Zn0.01 -","- Al1.9423 Cr0.0004 Fe0.1414 Mg0.8949 Mn0.0098 Ni0.0007 O4 Si0.0001 Zn0.0099 -","- Al15.5384 Cr0.0032 Fe1.1312 Mg7.1592 Mn0.0784 Ni0.0056 O32 Si0.0008 Zn0.0792 -","8","0.0416667","","Lucchesi, S.; Amoriello, M.; Della Giusta, A.","Crystal chemistry of spinels from xenoliths of the Alban Hills volcanic region Sample: SP182b","European Journal of Mineralogy","1998","10","","473","482","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005349","8.0991","","8.0991","","8.0991","","90","","90","","90","","531.264","","","","","","","","","","","","xenoliths of the Alban Hills, Italy volcanic region","7","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.952 Fe0.128 Mg0.902 Mn0.009 O4 Ti2 Zn0.007 -","- Al1.9522 Cr0.0002 Fe0.1285 Mg0.9018 Mn0.009 O4 Si0.0001 Ti2 Zn0.0071 -","- Al15.6176 Cr0.0016 Fe1.028 Mg7.2144 Mn0.072 O32 Si0.0008 Ti16 Zn0.0568 -","8","0.0416667","","Lucchesi, S.; Amoriello, M.; Della Giusta, A.","Crystal chemistry of spinels from xenoliths of the Alban Hills volcanic region Sample: SP182f","European Journal of Mineralogy","1998","10","","473","482","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005350","8.1061","","8.1061","","8.1061","","90","","90","","90","","532.643","","","","","","","","","","","","xenoliths of the Alban Hills, Italy volcanic region","8","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.896 Cr2 Fe0.167 Mg0.927 Mn0.005 Ni2 O4 Zn0.003 -","- Al1.8961 Cr2 Fe0.1667 Mg0.9266 Mn0.0046 Ni2 O4 Si0.0007 Ti0.0008 Zn0.0032 -","- Al15.1688 Cr16 Fe1.3336 Mg7.4128 Mn0.0368 Ni16 O32 Si0.0056 Ti0.0064 Zn0.0256 -","8","0.0416667","","Lucchesi, S.; Amoriello, M.; Della Giusta, A.","Crystal chemistry of spinels from xenoliths of the Alban Hills volcanic region Sample: SP210d","European Journal of Mineralogy","1998","10","","473","482","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005351","8.0996","","8.0996","","8.0996","","90","","90","","90","","531.362","","","","","","","","","","","","xenoliths of the Alban Hills, Italy volcanic region","6","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.936 Fe0.119 Mg0.934 Mn0.006 O4 Zn0.004 -","- Al1.9355 Fe0.1186 Mg0.9344 Mn0.006 O4 Si0.0006 Zn0.0039 -","- Al15.484 Fe0.9488 Mg7.4752 Mn0.048 O32 Si0.0048 Zn0.0312 -","8","0.0416667","","Lucchesi, S.; Amoriello, M.; Della Giusta, A.","Crystal chemistry of spinels from xenoliths of the Alban Hills volcanic region Sample: SP238a","European Journal of Mineralogy","1998","10","","473","482","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005352","8.1041","","8.1041","","8.1041","","90","","90","","90","","532.248","","","","","","","","","","","","xenoliths of the Alban Hills, Italy volcanic region","6","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.901 Fe0.124 Mg0.963 Mn0.003 O4 Ti0.008 -","- Al1.9005 Fe0.1243 Mg0.9628 Mn0.0028 O4 Ti0.0084 -","- Al15.204 Fe0.9944 Mg7.7024 Mn0.0224 O32 Ti0.0672 -","8","0.0416667","","Lucchesi, S.; Amoriello, M.; Della Giusta, A.","Crystal chemistry of spinels from xenoliths of the Alban Hills volcanic region Sample: SP239a","European Journal of Mineralogy","1998","10","","473","482","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005353","8.1057","","8.1057","","8.1057","","90","","90","","90","","532.564","","","","","","","","","","","","xenoliths of the Alban Hills, Italy volcanic region","8","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.888 Fe0.124 Mg0.967 Mn0.003 O4 Si0.003 Ti0.012 Zn0.001 -","- Al1.8882 Fe0.1242 Mg0.9672 Mn0.0028 O4 Si0.0028 Ti0.0121 Zn0.0013 -","- Al15.1056 Fe0.9936 Mg7.7376 Mn0.0224 O32 Si0.0224 Ti0.0968 Zn0.0104 -","8","0.0416667","","Lucchesi, S.; Amoriello, M.; Della Giusta, A.","Crystal chemistry of spinels from xenoliths of the Alban Hills volcanic region Sample: SP239b","European Journal of Mineralogy","1998","10","","473","482","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005354","8.1067","","8.1067","","8.1067","","90","","90","","90","","532.761","","","","","","","","","","","","xenoliths of the Alban Hills, Italy volcanic region","8","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.886 Fe0.132 Mg0.958 Mn0.003 O4 Si0.005 Ti0.013 Zn0.001 -","- Al1.8856 Fe0.1317 Mg0.958 Mn0.0031 Ni0.0007 O4 Si0.0054 Ti0.0134 Zn0.001 -","- Al15.0848 Fe1.0536 Mg7.664 Mn0.0248 Ni0.0056 O32 Si0.0432 Ti0.1072 Zn0.008 -","8","0.0416667","","Lucchesi, S.; Amoriello, M.; Della Giusta, A.","Crystal chemistry of spinels from xenoliths of the Alban Hills volcanic region Sample: SP239h","European Journal of Mineralogy","1998","10","","473","482","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005355","8.1093","","8.1093","","8.1093","","90","","90","","90","","533.274","","","","","","","","","","","","xenoliths of the Alban Hills, Italy volcanic region","6","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.896 Fe0.214 Mg0.875 Mn0.01 O4 Zn0.004 -","- Al1.8956 Cr0.0006 Fe0.2136 Mg0.8745 Mn0.0099 O4 Si0.0005 Ti0.0004 Zn0.0039 -","- Al15.1648 Cr0.0048 Fe1.7088 Mg6.996 Mn0.0792 O32 Si0.004 Ti0.0032 Zn0.0312 -","8","0.0416667","","Lucchesi, S.; Amoriello, M.; Della Giusta, A.","Crystal chemistry of spinels from xenoliths of the Alban Hills volcanic region Sample: SP263b","European Journal of Mineralogy","1998","10","","473","482","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005356","8.1111","","8.1111","","8.1111","","90","","90","","90","","533.629","","","","","","","","","","","","xenoliths of the Alban Hills, Italy volcanic region","6","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.884 Fe0.219 Mg0.883 Mn0.009 O4 Zn0.003 -","- Al1.8839 Cr0.0007 Fe0.2194 Mg0.8826 Mn0.0088 O4 Si0.0005 Zn0.0031 -","- Al15.0712 Cr0.0056 Fe1.7552 Mg7.0608 Mn0.0704 O32 Si0.004 Zn0.0248 -","8","0.0416667","","Lucchesi, S.; Amoriello, M.; Della Giusta, A.","Crystal chemistry of spinels from xenoliths of the Alban Hills volcanic region Sample: SP263v","European Journal of Mineralogy","1998","10","","473","482","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005357","8.113","","8.113","","8.113","","90","","90","","90","","534.004","","","","","","","","","","","","xenoliths of the Alban Hills, Italy volcanic region","6","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.886 Fe0.235 Mg0.845 Mn0.019 O4 Zn0.008 -","- Al1.8862 Cr0.0009 Fe0.2347 Mg0.8447 Mn0.0193 O4 Si0.0003 Zn0.0078 -","- Al15.0896 Cr0.0072 Fe1.8776 Mg6.7576 Mn0.1544 O32 Si0.0024 Zn0.0624 -","8","0.0416667","","Lucchesi, S.; Amoriello, M.; Della Giusta, A.","Crystal chemistry of spinels from xenoliths of the Alban Hills volcanic region Sample: SP264h","European Journal of Mineralogy","1998","10","","473","482","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005358","8.1141","","8.1141","","8.1141","","90","","90","","90","","534.221","","","","","","","","","","","","xenoliths of the Alban Hills, Italy volcanic region","6","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.874 Fe0.258 Mg0.843 Mn0.018 O4 Zn0.006 -","- Al1.8736 Fe0.2581 Mg0.8427 Mn0.0182 O4 Si0.0005 Zn0.0058 -","- Al14.9888 Fe2.0648 Mg6.7416 Mn0.1456 O32 Si0.004 Zn0.0464 -","8","0.0416667","","Lucchesi, S.; Amoriello, M.; Della Giusta, A.","Crystal chemistry of spinels from xenoliths of the Alban Hills volcanic region Sample: SP264i","European Journal of Mineralogy","1998","10","","473","482","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005359","8.115","","8.115","","8.115","","90","","90","","90","","534.399","","","","","","","","","","","","xenoliths of the Alban Hills, Italy volcanic region","6","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.878 Fe0.266 Mg0.836 Mn0.016 O4 Zn0.003 -","- Al1.8778 Fe0.2658 Mg0.8355 Mn0.0165 O4 Si0.0008 Ti0.0003 Zn0.0026 -","- Al15.0224 Fe2.1264 Mg6.684 Mn0.132 O32 Si0.0064 Ti0.0024 Zn0.0208 -","8","0.0416667","","Lucchesi, S.; Amoriello, M.; Della Giusta, A.","Crystal chemistry of spinels from xenoliths of the Alban Hills volcanic region Sample: SP264m","European Journal of Mineralogy","1998","10","","473","482","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005360","8.1085","","8.1085","","8.1085","","90","","90","","90","","533.116","","","","","","","","","","","","xenoliths of the Alban Hills, Italy volcanic region","6","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.89 Fe0.182 Mg0.917 Mn0.006 O4 Zn0.002 -","- Al1.8904 Fe0.1824 Mg0.9174 Mn0.0057 O4 Si0.0005 Ti0.0006 Zn0.0021 -","- Al15.1232 Fe1.4592 Mg7.3392 Mn0.0456 O32 Si0.004 Ti0.0048 Zn0.0168 -","8","0.0416667","","Lucchesi, S.; Amoriello, M.; Della Giusta, A.","Crystal chemistry of spinels from xenoliths of the Alban Hills volcanic region Sample: SP265e","European Journal of Mineralogy","1998","10","","473","482","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005361","8.1103","","8.1103","","8.1103","","90","","90","","90","","533.471","","","","","","","","","","","","xenoliths of the Alban Hills, Italy volcanic region","7","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.884 Fe0.186 Mg0.914 Mn0.005 O4 Ti0.004 Zn0.003 -","- Al1.8844 Cr0.0005 Fe0.1862 Mg0.9144 Mn0.0055 Ni0.0009 O4 Si0.0009 Ti0.0038 Zn0.0027 -","- Al15.0752 Cr0.004 Fe1.4896 Mg7.3152 Mn0.044 Ni0.0072 O32 Si0.0072 Ti0.0304 Zn0.0216 -","8","0.0416667","","Lucchesi, S.; Amoriello, M.; Della Giusta, A.","Crystal chemistry of spinels from xenoliths of the Alban Hills volcanic region Sample: SP265h","European Journal of Mineralogy","1998","10","","473","482","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005362","8.0978","","8.0978","","8.0978","","90","","90","","90","","531.008","","","","","","","","","","","","xenoliths of the Alban Hills, Italy volcanic region","6","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.933 Fe0.075 Mg0.984 Mn0.002 O4 Ti0.001 -","- Al1.9333 Fe0.0755 Mg0.9843 Mn0.0025 Ni0.0003 O4 Si0.0008 Ti0.0013 Zn0.0009 -","- Al15.4664 Fe0.604 Mg7.8744 Mn0.02 Ni0.0024 O32 Si0.0064 Ti0.0104 Zn0.0072 -","8","0.0416667","","Lucchesi, S.; Amoriello, M.; Della Giusta, A.","Crystal chemistry of spinels from xenoliths of the Alban Hills volcanic region Sample: SP266a","European Journal of Mineralogy","1998","10","","473","482","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005363","8.1001","","8.1001","","8.1001","","90","","90","","90","","531.461","","","","","","","","","","","","xenoliths of the Alban Hills, Italy volcanic region","7","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.928 Fe0.06 Mg0.998 Mn0.002 O4 Ti0.006 Zn0.004 -","- Al1.9277 Cr0.0003 Fe0.0601 Mg0.9985 Mn0.0021 Ni0.0003 O4 Si0.0006 Ti0.0056 Zn0.0042 -","- Al15.4216 Cr0.0024 Fe0.4808 Mg7.988 Mn0.0168 Ni0.0024 O32 Si0.0048 Ti0.0448 Zn0.0336 -","8","0.0416667","","Lucchesi, S.; Amoriello, M.; Della Giusta, A.","Crystal chemistry of spinels from xenoliths of the Alban Hills volcanic region Sample: SP267d","European Journal of Mineralogy","1998","10","","473","482","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005364","8.1017","","8.1017","","8.1017","","90","","90","","90","","531.776","","","","","","","","","","","","xenoliths of the Alban Hills, Italy volcanic region","6","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.911 Fe0.071 Mg1.004 O4 Ti0.008 Zn0.003 -","- Al1.9114 Fe0.071 Mg1.004 Mn0.0005 Ni0.0002 O4 Si0.0006 Ti0.0084 Zn0.0028 -","- Al15.2912 Fe0.568 Mg8.032 Mn0.004 Ni0.0016 O32 Si0.0048 Ti0.0672 Zn0.0224 -","8","0.0416667","","Lucchesi, S.; Amoriello, M.; Della Giusta, A.","Crystal chemistry of spinels from xenoliths of the Alban Hills volcanic region Sample: SP267e","European Journal of Mineralogy","1998","10","","473","482","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005365","8.1077","","8.1077","","8.1077","","90","","90","","90","","532.958","","","","","","","","","","","","xenoliths of the Alban Hills, Italy volcanic region","7","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.884 Fe0.143 Mg0.956 Mn0.003 O4 Si0.002 Ti0.011 -","- Al1.8842 Cr0.0007 Fe0.1428 Mg0.9556 Mn0.0027 Ni0.0002 O4 Si0.0016 Ti0.0109 -","- Al15.0736 Cr0.0056 Fe1.1424 Mg7.6448 Mn0.0216 Ni0.0016 O32 Si0.0128 Ti0.0872 -","8","0.0416667","","Lucchesi, S.; Amoriello, M.; Della Giusta, A.","Crystal chemistry of spinels from xenoliths of the Alban Hills volcanic region Sample: SP268a","European Journal of Mineralogy","1998","10","","473","482","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005366","9.397","","9.397","","9.202","","90","","90","","120","","703.706","","","","","","","","","","","","","8","P 6/m c c","-P 6 2c","192","","","Stoppaniite","- Al0.42 Be3 Fe1.22 H2 Mg0.36 Na0.55 O19 Si6 -","- Al0.42 Be3.00003 Fe1.22 H2 Mg0.36 Na0.55 O19 Si5.99997 -","- Al0.84 Be6.00006 Fe2.44 H4 Mg0.72 Na1.1 O38 Si11.9999 -","2","0.0833333","","Ferraris, G.; Prencipe, M.; Rossi, P.","Stoppaniite, a new member of the beryl group: crystal structure and crystal-chemical implications","European Journal of Mineralogy","1998","10","","491","496","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005367","5.85928","","17.9801","","8.38395","","90","","90","","90","","883.253","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","Spinelloid","- Fe2.57 O4 Si0.43 -","- Fe2.57 O4 Si0.43 -","- Fe30.84 O48 Si5.16 -","12","0.75","","Angel, R. J.; Woodland, A. B.","Crystal structure of spinelloid II in the system Fe3O4-Fe2SiO4","European Journal of Mineralogy","1998","10","","607","611","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005368","14.86","","20.54","","5.29","","95.6","","92.3","","94.4","","1600.35","","","","","","","","","","","","Kola Peninsula, Russia","9","P -1","-P 1","2","","","Kalifersite","- Ca0.18 Fe4.95 H9.049 K3.6 Mg0.63 Mn0.72 Na1.4 O68 Si20 -","- Ca0.18 Fe4.95 H30 K3.6 Mg0.63 Mn0.72 Na1.4 O68 Si20 -","- Ca0.18 Fe4.95 H30 K3.6 Mg0.63 Mn0.72 Na1.4 O68 Si20 -","1","0.5","","Ferraris, G.; Khomyakov, A. P.; Belluso, E.; Soboleva, S. V.","Kalifersite, a new alkaline silicate from Kola Peninsula (Russia) based on a palygorskite-sepiolite polysomatic series","European Journal of Mineralogy","1998","10","","865","874","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005369","12.122","","12.122","","12.122","","90","","90","","90","","1781.24","","","","","","","","","","","","Baden-Wurtemburg, Germany","9","I a -3 d","-I 4bd 2c 3","230","","","Andradite","- Al0.224 Ca2.895 Fe1.486 Mg0.104 Mn0.024 Na0.018 O12 Si2.457 Ti0.792 -","- Al0.224 Ca2.895 Fe1.486 Mg0.104 Mn0.024 Na0.018 O12 Si2.457 Ti0.792 -","- Al1.792 Ca23.16 Fe11.888 Mg0.832 Mn0.192 Na0.144 O96 Si19.656 Ti6.336 -","8","0.0833333","","Armbruster, T.; Birrer, J.; Libowitzky, E.; Beran, A.","Crystal chemistry of Ti-bearing andradites Note: sample KAIS","European Journal of Mineralogy","1998","10","","907","921","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005370","12.122","","12.122","","12.122","","90","","90","","90","","1781.24","","","","","","","","","","","","Baden-Wurtemburg, Germany","11","I a -3 d","-I 4bd 2c 3","230","","","Andradite","- Al0.222 Ca2.864 Fe1.426 Mg0.112 Mn0.025 Na0.019 Ni0.002 O12 Si2.358 Ti0.827 V0.144 -","- Al0.222 Ca2.8641 Fe1.426 K0.0009 Mg0.1121 Mn0.0249 Na0.0189 Ni0.0021 O12 Si2.358 Ti0.827 V0.144 -","- Al1.776 Ca22.9128 Fe11.408 K0.0072 Mg0.8968 Mn0.1992 Na0.1512 Ni0.0168 O96 Si18.864 Ti6.616 V1.152 -","8","0.0833333","","Armbruster, T.; Birrer, J.; Libowitzky, E.; Beran, A.","Crystal chemistry of Ti-bearing andradites Note: sample KB166","European Journal of Mineralogy","1998","10","","907","921","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9005371","12.105","","12.105","","12.105","","90","","90","","90","","1773.76","","","","","","","","","","","","N'Zala, Atlas mountains, Morocco","9","I a -3 d","-I 4bd 2c 3","230","","","Andradite","- Al0.224 Ca2.895 Fe1.288 Mg0.104 Mn0.024 Na0.018 O12 Si2.744 Ti0.703 -","- Al0.224 Ca2.895 Fe1.288 Mg0.104 Mn0.024 Na0.018 O12 Si2.7441 Ti0.7029 -","- Al1.792 Ca23.16 Fe10.304 Mg0.832 Mn0.192 Na0.144 O96 Si21.9528 Ti5.6232 -","8","0.0833333","","Armbruster, T.; Birrer, J.; Libowitzky, E.; Beran, A.","Crystal chemistry of Ti-bearing andradites Note: sample NZALA","European Journal of Mineralogy","1998","10","","907","921","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005372","12.06","","12.06","","12.06","","90","","90","","90","","1754.05","","","","","","","","","","","","Zermatt, Valais, Switzerland","9","I a -3 d","-I 4bd 2c 3","230","","","Andradite","- Al0.278 Ca2.919 Fe1.412 Mg0.048 Mn0.012 Na0.003 O12 Si3 Ti0.328 -","- Al0.278 Ca2.919 Fe1.412 Mg0.048 Mn0.012 Na0.003 O12 Si3 Ti0.328 -","- Al2.224 Ca23.352 Fe11.296 Mg0.384 Mn0.096 Na0.024 O96 Si24 Ti2.624 -","8","0.0833333","","Armbruster, T.; Birrer, J.; Libowitzky, E.; Beran, A.","Crystal chemistry of Ti-bearing andradites Note: sample ZER1","European Journal of Mineralogy","1998","10","","907","921","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005373","12.038","","12.038","","12.038","","90","","90","","90","","1744.47","","","","","","","","","","","","Schaffhausen area, Switzerland","10","I a -3 d","-I 4bd 2c 3","230","","","Andradite","- Al0.496 Ca2.934 Fe1.306 Mg0.056 Mn0.048 Na0.012 O12 Si2.793 Ti0.299 V0.056 -","- Al0.496 Ca2.934 Fe1.306 Mg0.056 Mn0.048 Na0.012 O12 Si2.793 Ti0.299 V0.056 -","- Al3.968 Ca23.472 Fe10.448 Mg0.448 Mn0.384 Na0.096 O96 Si22.344 Ti2.392 V0.448 -","8","0.0833333","","Armbruster, T.; Birrer, J.; Libowitzky, E.; Beran, A.","Crystal chemistry of Ti-bearing andradites Note: sample SCHAFF","European Journal of Mineralogy","1998","10","","907","921","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9005374","11.764","","11.764","","11.764","","90","","90","","90","","1628.04","","","","","","","","","","","","Okahandja, Namibia","8","I a -3 d","-I 4bd 2c 3","230","","","Andradite","- Al1.698 Ca1.588 Fe1.001 Mg0.006 Mn0.691 O12 Si3 Ti0.015 -","- Al1.6978 Ca1.5882 Fe1.0012 Mg0.006 Mn0.6909 Na0.0009 O12 Si3 Ti0.015 -","- Al13.5824 Ca12.7056 Fe8.0096 Mg0.048 Mn5.5272 Na0.0072 O96 Si24 Ti0.12 -","8","0.0833333","","Armbruster, T.; Birrer, J.; Libowitzky, E.; Beran, A.","Crystal chemistry of Ti-bearing andradites Note: sample NAMIB","European Journal of Mineralogy","1998","10","","907","921","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005375","8.3797","","8.3797","","68.123","","90","","90","","120","","4142.68","","","","","","","","","","","","slag dumps at Val Varenna, Italy","6","R -3 c :H","-R 3 2""c","167","","","","- Ca Cl2 H36 O29 S2 Zn8 -","- Ca Cl2 H36 O29 S2 Zn8 -","- Ca6 Cl12 H216 O174 S12 Zn48 -","6","0.166667","","Burns, P. C.; Roberts, A. C.; Nikischer, A. J.","The crystal structure of Ca[Zn8(SO4)2(OH)12Cl2](H2O)9, a new phase from slag dumps at Val Varenna, Italy","European Journal of Mineralogy","1998","10","","923","930","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:52:11",""
"9005376","8.822","","9.794","","10.256","","63.82","","84.77","","65.32","","717.875","","","","","","","","","","","","","4","P -1","-P 1","2","","","Sapphirine","- Ga3.557 Ge1.225 Mg2.218 O10 -","- Ga3.557 Ge1.225 Mg2.218 O10 -","- Ga14.228 Ge4.9 Mg8.872 O40 -","4","2","","Barbier, J.","Crystal structures of sapphirine and surinamite analogues in the MgO-Ga2O3-GeO2 system","European Journal of Mineralogy","1998","10","","1283","1293","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005377","10.32","","23.733","","10.073","","90","","110.29","","90","","2314.04","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","Surinamite","- Ga7.842 Ge6.08 Mg8.078 O32 -","- Ga7.842 Ge6.08 Mg8.078 O32 -","- Ga31.368 Ge24.32 Mg32.312 O128 -","4","0.5","","Barbier, J.","Crystal structures of sapphirine and surinamite analogues in the MgO-Ga2O3-GeO2 system","European Journal of Mineralogy","1998","10","","1283","1293","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005770","10.108","","4.698","","5.831","","90","","91.12","","90","","276.846","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","Sarcopside","- Ni3 O8 P2 -","- Ni3 O8 P2 -","- Ni6 O16 P4 -","2","0.5","","Nord, A. G.; Stefanidis, T.","Crystallographic studies of some olivine-related (Ni,Mg)3(PO4)2 solid solutions Sample: Ni3(PO4)2","Physics and Chemistry of Minerals","1983","10","","10","15","10.1007/BF01204320","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005771","10.122","","4.7","","5.838","","90","","91.11","","90","","277.681","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- Mg0.8 Ni2.2 O8 P2 -","- Mg0.8 Ni2.2 O8 P2 -","- Mg1.6 Ni4.4 O16 P4 -","2","0.5","","Nord, A. G.; Stefanidis, T.","Crystallographic studies of some olivine-related (Ni,Mg)3(PO4)2 solid solutions Sample: Ni/Mg-1a","Physics and Chemistry of Minerals","1983","10","","10","15","10.1007/BF01204320","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005772","10.154","","4.706","","5.87","","90","","90.83","","90","","280.467","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- Mg1.2 Ni1.8 O8 P2 -","- Mg1.2 Ni1.8 O8 P2 -","- Mg2.4 Ni3.6 O16 P4 -","2","0.5","","Nord, A. G.; Stefanidis, T.","Crystallographic studies of some olivine-related (Ni,Mg)3(PO4)2 solid solutions Sample: Ni/Mg-2b","Physics and Chemistry of Minerals","1983","10","","10","15","10.1007/BF01204320","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005773","10.177","","4.713","","5.889","","90","","90.74","","90","","282.438","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- Mg1.64 Ni1.36 O8 P2 -","- Mg1.64 Ni1.36 O8 P2 -","- Mg3.28 Ni2.72 O16 P4 -","2","0.5","","Nord, A. G.; Stefanidis, T.","Crystallographic studies of some olivine-related (Ni,Mg)3(PO4)2 solid solutions Sample: Ni/Mg-3c","Physics and Chemistry of Minerals","1983","10","","10","15","10.1007/BF01204320","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005774","8.7","","5.79","","9.78","","90","","108.9","","90","","466.087","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","Sursassite","- Al2.83 H3 Mn2.17 O14 Si3 -","- Al2.83 H3 Mn2.17 O14 Si3 -","- Al5.66 H6 Mn4.34 O28 Si6 -","2","0.5","","Mellini, M.; Merlino, S.; Pasero, M.","X-ray and HRTEM study of sursassite: crystal structure, stacking disorder, and sursassite-pumpellyite intergrowth","Physics and Chemistry of Minerals","1984","10","","99","105","10.1007/BF00309643","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005775","9.606","","8.8131","","5.17","","90","","108.35","","90","","415.429","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","Clinoenstatite","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","2","","Ohashi, Y.","Polysynthetically-twinned structures of enstatite and wollastonite Sample: CLEN","Physics and Chemistry of Minerals","1984","10","","217","229","10.1007/BF00309314","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005776","18.225","","8.8128","","5.18","","90","","90","","90","","831.977","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","Enstatite","- Mg O3 Si -","- Mg O3 Si -","- Mg16 O48 Si16 -","16","2","","Ohashi, Y.","Polysynthetically-twinned structures of enstatite and wollastonite Sample: OREN","Physics and Chemistry of Minerals","1984","10","","217","229","10.1007/BF00309314","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005777","7.9258","","7.3202","","7.0653","","90.055","","95.217","","103.426","","396.96","","","","","","","","","","","","","3","P -1","-P 1","2","","","Wollastonite","- Ca O3 Si -","- Ca O3 Si -","- Ca6 O18 Si6 -","6","3","","Ohashi, Y.","Polysynthetically-twinned structures of enstatite and wollastonite Sample: WO1T","Physics and Chemistry of Minerals","1984","10","","217","229","10.1007/BF00309314","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005778","15.424","","7.324","","7.0692","","90","","95.371","","90","","795.069","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","Wollastonite","- Ca O3 Si -","- Ca O3 Si -","- Ca12 O36 Si12 -","12","3","","Ohashi, Y.","Polysynthetically-twinned structures of enstatite and wollastonite Sample: WO2M","Physics and Chemistry of Minerals","1984","10","","217","229","10.1007/BF00309314","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9007437","11.62","","11.77","","3.962","","90","","90","","90","","541.872","","","","","","","","","","","","Synthetic","2","P b n m","-P 2c 2ab","62","","","Antimonselite","- Sb2 Se3 -","- Sb2 Se3 -","- Sb8 Se12 -","4","0.5","","Tideswell, N. W.; Kruse, F. H.; McCullough, J. D.","The crystal structure of antimony selenide, Sb2Se3","Acta Crystallographica","1957","10","","99","102","10.1107/S0365110X57000298","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007438","3.464","","3.464","","5.763","","90","","90","","120","","59.887","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Cr0.875 S -","- Cr0.875 S -","- Cr1.75 S2 -","2","0.166667","","Jellinek, F.","The structures of the chromium sulphides","Acta Crystallographica","1957","10","","620","628","10.1107/S0365110X57002200","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007439","5.982","","5.982","","11.509","","90","","90","","120","","356.665","","","","","","","","","","","","Synthetic","2","P -3 1 c","-P 3 2c","163","","","Murchisite","- Cr5 S6 -","- Cr5 S6 -","- Cr10 S12 -","2","0.166667","","Jellinek, F.","The structures of the chromium sulphides","Acta Crystallographica","1957","10","","620","628","10.1107/S0365110X57002200","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007440","5.939","","5.939","","11.192","","90","","90","","120","","341.873","","","","","","","","","","","","","2","P -3 1 c","-P 3 2c","163","","","","- Cr2 S3 -","- Cr2 S3 -","- Cr8 S12 -","4","0.333333","","Jellinek, F.","The structures of the chromium sulphides","Acta Crystallographica","1957","10","","620","628","10.1107/S0365110X57002200","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007441","5.937","","5.937","","16.698","","90","","90","","120","","509.717","","","","","","","","","","","","","2","R -3 :H","-R 3","148","","","","- Cr2 S3 -","- Cr2 S3 -","- Cr12 S18 -","6","0.333333","","Jellinek, F.","The structures of the chromium sulphides","Acta Crystallographica","1957","10","","620","628","10.1107/S0365110X57002200","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007442","5.694","","3.428","","11.272","","90","","91.5","","90","","219.943","","","","","","","","","","","","Synthetic","2","I 1 2/m 1","-I 2y","12","","","Brezinaite","- Cr3 S4 -","- Cr3 S4 -","- Cr6 S8 -","2","0.25","","Jellinek, F.","The structures of the chromium sulphides","Acta Crystallographica","1957","10","","620","628","10.1107/S0365110X57002200","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007443","3.826","","5.913","","6.089","","90","","101.6","","90","","134.939","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- Cr S -","- Cr S -","- Cr4 S4 -","4","0.5","","Jellinek, F.","The structures of the chromium sulphides","Acta Crystallographica","1957","10","","620","628","10.1107/S0365110X57002200","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9010011","5.38","","5.38","","5.38","","90","","90","","90","","155.721","","","","","","","","","","","","natural, unknown","2","P a -3","-P 2ac 2ab 3","205","","","Pyrite","- Fe S2 -","- Fe S2 -","- Fe4 S8 -","4","0.166667","","Ramsdell, L. S.","The crystal structures of some metallic sulfides","American Mineralogist","1925","10","","281","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:44",""
"9010520","7.716","","7.716","","5.089","","90","","90","","90","","302.982","","","","","","","","","","","","Crestmore, California, USA","6","P -4 21 m","P -4 2ab","113","","","Gehlenite","- Al1.91 Ca2 Fe0.02 Mg0.05 O7 Si1.02 -","- Al1.91 Ca2 Fe0.02 Mg0.05 O7 Si1.02 -","- Al3.82 Ca4 Fe0.04 Mg0.1 O14 Si2.04 -","2","0.25","","Louisnathan, S. J.","Refinement of the crystal structure of a natural gehlenite, Ca2Al(Al,Si)2O7","The Canadian Mineralogist","1971","10","","822","837","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9011013","7.62","","7.62","","8.19","","90","","90","","90","","475.547","","","","","","","","","","","","Stassfurt, Germany","4","P 42/n :1","P 4n -1n","86","","","Pinnoite","- B2 H6 Mg O7 -","- B2 H6 Mg O7 -","- B8 H24 Mg4 O28 -","4","0.5","","Paton, F.; MacDonald, S. G. G.","The crystal structure of pinnoite","Acta Crystallographica","1957","10","","653","656","10.1107/S0365110X57002273","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9011597","3.52","","3.52","","3.52","","90","","90","","90","","43.614","","","","","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","Nickel","","Nickel","- Ni -","- Ni -","- Ni4 -","4","0.0208333","","Hull, A. W.","A new method of x-ray crystal analysis","Physical Review","1917","10","","661","696","10.1103/PhysRev.10.661","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011849","5.54","","7.1","","18.36","","90","","102.4","","90","","705.326","","","","","","","","","","","","Baikal area, Russia","9","P 1 2/c 1","-P 2yc","13","","","Seidozerite","- Ca1.28 F2 Fe0.42 Mn0.56 Na3.56 O16 Si4 Ti0.78 Zr1.4 -","- Ca1.28 F2 Fe0.42 Mn0.56 Na3.56 O16 Si4 Ti0.78 Zr1.4 -","- Ca2.56 F4 Fe0.84 Mn1.12 Na7.12 O32 Si8 Ti1.56 Zr2.8 -","2","0.5","","Skszat, S. M.; Simonov, V. I.","The structure of calcium seidozerite","Soviet Physics Crystallography","1966","10","","505","508","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9012097","20.23","","6.979","","5.392","","90","","90","","90","","761.27","","","","","","","","","","","","Hijikuzu mine, Iwate Prefecture, Japan","7","P n m n","-P 2n 2n","58","","","Orthoericssonite","- Ba0.7 Fe1.5 Mn1.4 O9 Si2 Sr0.3 Ti0.1 -","- Ba0.7 Fe1.5 Mn1.4 O9 Si2 Sr0.3 Ti0.1 -","- Ba2.8 Fe6 Mn5.6 O36 Si8 Sr1.2 Ti0.4 -","4","0.5","","Matsubara, S.","The crystal structure of orthoericssonite","Mineralogical Journal","1980","10","","107","121","10.2465/minerj.10.107","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:46",""
"9012098","13.937","","12.122","","7.116","","90","","90","","90","","1202.21","","","","","","","","","","","","Mogurazawa mine, Kirya City, Gumma Prefecture, Japan","8","P m m n :2","-P 2ab 2a","59","","","Nagashimalite","- B2 Ba4 Cl H0.44 O29 Si8 Ti0.56 V3.44 -","- B2 Ba4 Cl H0.44 O29 Si8 Ti0.56 V3.44 -","- B4 Ba8 Cl2 H0.88 O58 Si16 Ti1.12 V6.88 -","2","0.25","","Matsubara, S.","The crystal structure of nagashimalite, Ba4(V(3+),Ti)4[(O,OH)2|Cl|Si8B2O27]","Mineralogical Journal","1980","10","","131","142","10.2465/minerj.10.131","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9012312","7.1","","7.1","","17.7","","90","","90","","90","","892.257","","","","","","","","","","","","Rotava, Ore Mountains, Czech Republic","5","P 42/n m c","","","","","Metazeunerite","- As Cu0.5 H16 O10 U -","- As Cu0.5 H8 O10 U -","- As4 Cu2 H32 O40 U4 -","4","","","Hanic, F.","The crystal structure of meta-zeunerite Cu(UO2)2(AsO4)2*8H2O","Czechoslovak Journal of Physics B","1960","10","","169","181","10.1007/BF01557259","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9012858","4.417","","4.417","","29.84","","90","","90","","120","","504.178","","","","","","","","","","","","","2","R 3 m :H","R 3 -2""","160","","","Tellurobismuthite","- Bi2 Te3 -","- Bi2 Te3 -","- Bi6 Te9 -","3","0.166667","","Atabaeva, E. Y.; Ickevich, E. S.; Mashkov, S. A.; Popova, S. V.; Vereshchagin, L. F.","The polymorphism of bismuth telluride under high pressures and temperatures","Fizika Tverdogo Tela","1968","10","","62","65","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012886","5.2234","","9.179","","20.2353","","90","","95.8338","","90","","965.169","","","","","","","","","","","","Goto mine, Nagasaki Prefecture, Japan","9","C 1","C 1","1","","","Muscovite","- Al2.726 Ca0.011 Fe0.03 K0.776 Mg0.02 Na0.181 O11 Si3.15 Ti0.02 -","- Al2.726 Ca0.011 Fe0.03 K0.7765 Mg0.02 Na0.181 O11 Si3.15 Ti0.02 -","- Al10.904 Ca0.044 Fe0.12 K3.106 Mg0.08 Na0.724 O44 Si12.6 Ti0.08 -","4","","","Tomita, K.; Shiraki, K.; Kawano, M.","Crystal structure of dehydroxylated 2M1 sericite and its relationship with mixed-layer mica/smectite Sample: heated","Clay Science","1998","10","","423","441","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012887","5.1909","","9.0048","","20.117","","90","","95.773","","90","","935.56","","","","","","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","Muscovite","- Al2.752 Ca0.01 Fe0.03 H2 K0.727 Mg0.022 Na0.17 O12 Si3.128 Ti0.02 -","- Al2.752 Ca0.01 Fe0.03 H2 K0.727 Mg0.022 Na0.17 O12 Si3.128 Ti0.02 -","- Al11.008 Ca0.04 Fe0.12 H8 K2.908 Mg0.088 Na0.68 O48 Si12.512 Ti0.08 -","4","0.5","","Tomita, K.; Shiraki, K.; Kawano, M.","Crystal structure of dehydroxylated 2M1 sericite and its relationship with mixed-layer mica/smectite Sample: unheated","Clay Science","1998","10","","423","441","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:50",""
"9013007","2.622","","2.622","","4.321","","90","","90","","120","","25.726","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","","","Nickel","- Ni -","- Ni -","- Ni2 -","2","0.0833333","","Weik, H.; Hemenger, P.","Existence of the hexagonal modification of nickel Locality: synthetic","Bulletin of the American Physical Society","1965","10","","1140","1140","","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:21",""
"9014180","9.294","","6.166","","7.713","","90","","115.57","","90","","398.717","","","","","","","","","","","","Mounana, Gaboon","5","C 1 2/m 1","-C 2y","12","","","Mounanaite","- Fe2 H2 O10 Pb V2 -","- Fe2 H2 O10 Pb V2 -","- Fe4 H4 O20 Pb2 V4 -","2","0.25","","Krause, W.; Belendorff, K.; Bernhardt, H. J.; McCammon, C. A.; Effenberger, H.; Mikenda, W.","Crystal chemistry of the tsumcorite-group minerals. New data on ferrilotharmeyerite, tsumcorite, thometzekite, mounanaite, helmutwinklerite, and a redefinition of gartrellite","European Journal of Mineralogy","1998","10","","179","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014595","5.081","","11.224","","6.778","","90","","90","","90","","386.544","","","","","","","","","","","","Synthetic","3","P b n m","-P 2c 2ab","62","","","Calcio-olivine","- Ca2 O4 Si -","- Ca2 O4 Si -","- Ca8 O16 Si4 -","4","0.5","","Udagawa, S.; Urabe, K.; Natsume, M.; Yano, T.","Refinement of the crystal structure of gamma-Ca2SiO4","Cement and Concrete Research","1980","10","","139","144","10.1016/0008-8846(80)90070-8","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014818","5.0135","","10.6044","","18.2828","","90","","90","","90","","972.008","","","","","","","","","","","","Synthetic","4","P b n m","-P 2c 2ab","62","","","Hopeite","- H8 O12 P2 Zn3 -","- H8 O12 P2 Zn3 -","- H32 O48 P8 Zn12 -","4","0.5","","Herschke, L.; Enkelmann, V.; Lieberwirth, I.; Wenger, G.","The role of hydrogen bonding in the crystal structures of zinc phosphate hydrates Note: alpha-hopeite","Chemistry - A European Journal","2004","10","","2795","2803","10.1002/chem.200305693","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014854","7.738","","7.738","","5.045","","90","","90","","90","","302.078","","","","","","","","","","","","Capo di Bove, Italy","7","P -4 21 m","P -4 2ab","113","","","Akermanite","- Al0.66 Ca1.96 Fe0.12 Mg0.24 Na0.04 O7 Si1.3 -","- Al0.66 Ca1.96 Fe0.12 Mg0.24 Na0.04 O7 Si1.3 -","- Al1.32 Ca3.92 Fe0.24 Mg0.48 Na0.08 O14 Si2.6 -","2","0.25","","Mokeeva, V.; Makarov, E.","Isomorph in melilites: refining of crystal structure of akermanite and intermediate melilite","Geokhimiya","1979","10","","1541","1544","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014901","9.2715","","9.2715","","21.1298","","90","","90","","120","","1572.99","","","","","","","","","","","","Synthetic","5","R -3 :H","-R 3","148","","","Ernstburkeite","- C2 H30 Mg O18 S2 -","- C2 H30 Mg O18 S2 -","- C6 H90 Mg3 O54 S6 -","3","0.166667","","Genceli Guner, F. E.; Lutz, M.; Sakurai, T.; Spek, A. L.; Hondoh, T.","Crystallization and characterization of magnesium methanesulfonate hydrate Mg(CH3SO3)2*12H2O Note: T = 110 K","Crystal Growth & Design","2010","10","","4327","4333","10.1021/cg100234e","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015080","16.41","","12.55","","10.03","","90","","115.5","","90","","1864.41","","","","","","","","","","","","Lovozero, Russia","8","C 1 2/c 1","-C 2yc","15","","","Manganoneptunite","- Fe0.54 K Li Mn1.46 Na2 O24 Si8 Ti2 -","- Fe0.54 K Li Mn1.46 Na2 O24 Si8 Ti2 -","- Fe2.16 K4 Li4 Mn5.84 Na8 O96 Si32 Ti8 -","4","0.5","","Borisov, S. V.; Klevtsova, R. F.; Bakakin, V. V.; Belov, N. V.","The crystal structure of neptunite","Soviet Physics Crystallography","1966","10","","684","689","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015130","14.674","","11.093","","5.688","","90","","90","","90","","925.885","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Behounekite","- H8 O12 S2 U -","- O12 S2 U -","- O48 S8 U4 -","4","0.5","","Kierkegaard, P.","The crystal structure of U(SO4)2*4H2O","Acta Chemica Scandinavica","1956","10","","599","616","10.3891/acta.chem.scand.10-0599","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015368","7.76","","7.76","","5.029","","90","","90","","90","","302.834","","","","","","","","","","","","Capo di Bove, Italy","7","P -4 21 m","P -4 2ab","113","","","Akermanite","- Al0.41 Ca1.5 Fe0.16 Mg0.39 Na0.5 O7 Si2 -","- Al0.41 Ca1.5 Fe0.16 Mg0.39 Na0.5 O7 Si2 -","- Al0.82 Ca3 Fe0.32 Mg0.78 Na O14 Si4 -","2","0.25","","Mokeeva, V.; Makarov, E.","Isomorph in melilites: refining of crystal structure of akermanite and intermediate melilite","Geokhimiya","1979","10","","1541","1544","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015402","10.126","","10.126","","41.41","","90","","90","","90","","4246.01","","","","","","","","","","","","Shiti barite deposit, Ankang County, Shaanxi, China","4","P 4/m","-P 4","83","","","Ankangite","- Ba9 O112 Ti36.4 V19.6 -","- Ba9 O112 Ti36.4 V19.6 -","- Ba18 O224 Ti72.8 V39.2 -","2","0.25","","Shi, N.; Ma, Z.; Liu, W.","Crystal structure determination of ankangite with one dimensional incommensurate modulation","Acta Petrologica et Mineralogica","1991","10","","233","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015412","5.0266","","10.606","","18.2946","","90","","90","","90","","975.324","","","","","","","","","","","","Synthetic","4","P b n m","-P 2c 2ab","62","","","Hopeite","- H8 O13 P2 Zn3 -","- H7 O12 P2 Zn3 -","- H28 O48 P8 Zn12 -","4","0.5","","Herschke, L.; Enkelmann, V.; Lieberwirth, I.; Wenger, G.","The role of hydrogen bonding in the crystal structures of zinc phosphate hydrates Note: beta-hopeite","Chemistry - A European Journal","2004","10","","2795","2803","10.1002/chem.200305693","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9016080","10.139","","10.139","","2.961","","90","","90","","90","","304.389","","","","","","","","","","","","Shiti barite deposit, Ankang County, Shaanxi, China","4","I 4/m","-I 4","87","","","Ankangite","- Ba0.295 O4 Ti1.3 V0.7 -","- Ba0.295 O4 Ti1.3 V0.7 -","- Ba1.18 O16 Ti5.2 V2.8 -","4","0.25","","Shi, N.; Ma, Z.; Liu, W.","Crystal structure determination of ankangite with one dimensional incommensurate modulation","Acta Petrologica et Mineralogica","1991","10","","233","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9017766","5.1546","","8.9425","","7.4033","","91.704","","104.735","","89.852","","329.882","","","","","","","","","","","","Murfreesboro, Arkansas, USA","8","C 1","C 1","1","","","Kaolinite","- Al1.992 Ca0.012 Fe0.016 H4 Mg0.008 O9 Si1.956 Ti0.018 -","- Al1.992 Ca0.012 Fe0.016 H4 Mg0.008 O9 Si1.956 Ti0.018 -","- Al3.984 Ca0.024 Fe0.032 H8 Mg0.016 O18 Si3.912 Ti0.036 -","2","","","Lee, S.; Xu, H.","Using complementary methods of synchrotron radiation powder diffraction and pair distribution functions to refine crystal structures with high quality parameters - A review Note: X-ray data, chemistry data provided by author","Minerals","2020","10","","","124","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017767","5.1528","","8.9415","","7.3985","","91.715","","104.756","","89.866","","329.482","","","","","","","","","","","","Murfreesboro, Arkansas, USA","8","C 1","C 1","1","","","Kaolinite","- Al1.992 Ca0.012 Fe0.016 H4 Mg0.008 O9 Si1.956 Ti0.018 -","- Al1.992 Ca0.012 Fe0.016 H4 Mg0.008 O9 Si1.956 Ti0.018 -","- Al3.984 Ca0.024 Fe0.032 H8 Mg0.016 O18 Si3.912 Ti0.036 -","2","","","Lee, S.; Xu, H.","Using complementary methods of synchrotron radiation powder diffraction and pair distribution functions to refine crystal structures with high quality parameters - A review Note: Neutron data, chemistry data provided by author","Minerals","2020","10","","","124","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017768","5.148","","5.148","","13.649","","90","","90","","120","","313.263","","","","","","","","","","","","Ries impact structure, Germany","4","R -3 :H","-R 3","148","","","Wangdaodeite","- Fe0.92 Mn0.08 O3 Ti -","- Fe0.92 Mn0.08 O3 Ti -","- Fe5.52 Mn0.48 O18 Ti6 -","6","0.333333","","Tschauner, O.; Ma, C.; Newville, M. G.; Lanzirotti, A.","Structure analysis of natural wangdaodeite - LiNbO3-type FeTiO3","Minerals","2020","10","","","1072","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017769","8.73885","","8.73885","","8.1277","","90","","90","","90","","620.692","","","","","","","","","","","","Chuktukon Carbonatite Massif, Russia","6","P 4 b m","P 4 -2ab","100","","","Rippite","- K Nb0.96 O7 Si2 Ti0.02 Zr0.01 -","- K Nb0.96 O7 Si2 Ti0.02 Zr0.01 -","- K4 Nb3.84 O28 Si8 Ti0.08 Zr0.04 -","4","0.5","","Sharygin, V. V.; Doroshkevich, A. G.; Seryotkin, Y. V.; Karmanov, N. S.; Belogub, E. V.; Moroz, T. N.; Nigmatulina, E. N.; Yelisseyev, A. P.; Vedenyapin, V. N.; Kupriyanov, I. N.","Rippite, K2(Nb,Ti)2(Si4O12)O(O,F), a new K-Nb-cyclosilicate from Chuktukon Carbonatite Massif, Chadobets Upland, Krasnoyarsk Territory, Russia","Minerals","2020","10","","","1102","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017770","4.7853","","4.7853","","4.463","","90","","90","","120","","88.507","","","","","","","","","","","","Mt Carmel, Israel","2","P 63/m m c","-P 6c 2c","194","","","Oreillyite","- Cr N0.47 -","- Cr N0.47 -","- Cr2 N0.94 -","2","0.0833333","","Bindi, L.; Camara, F.; Gain, S. E. M.; Griffin, W. L.; Huang, J.; Saunders, M.; Toledo, V.","Kishonite, VH2, and oreillyite, Cr2N, two new minerals from the corundum xenocrysts of Mt Carmel, Northern Israel","Minerals","2020","10","","","1118","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017771","4.268","","4.268","","4.268","","90","","90","","90","","77.745","","","","","","","","","","","","Mt Carmel, Israel","3","F m -3 m","-F 4 2 3","225","","","Kishonite","- Al0.04 H2 V0.96 -","- Al0.04 H2 V0.96 -","- Al0.16 H8 V3.84 -","4","0.0208333","","Bindi, L.; Camara, F.; Gain, S. E. M.; Griffin, W. L.; Huang, J.; Saunders, M.; Toledo, V.","Kishonite, VH2, and oreillyite, Cr2N, two new minerals from the corundum xenocrysts of Mt Carmel, Northern Israel","Minerals","2020","10","","","1118","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017819","5.7733","","5.7733","","21.339","","90","","90","","120","","615.961","","","","","","","","","","","","Synthetic","3","R -3 m :H","-R 3 2""","166","","","Gurimite","- Ba3 O8 V2 -","- Ba3 O8 V2 -","- Ba9 O24 V6 -","3","0.0833333","","Mugavero, S. J.; Bharathy, M.; McAlum, J.; Loye, H. C.","Crystal growth of alkaline earth vanadates from hydroxide fluxes","Solid State Sciences","2008","10","","370","376","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017820","10.4589","","10.4589","","7.8476","","90","","90","","120","","743.429","","","","","","","","","","","","Synthetic","4","P 63/m","-P 6c","176","","","","- Ba5 H O13 V3 -","- Ba5 H O13 V3 -","- Ba10 H2 O26 V6 -","2","0.166667","","Mugavero, S. J.; Bharathy, M.; McAlum, J.; Loye, H. C.","Crystal growth of alkaline earth vanadates from hydroxide fluxes","Solid State Sciences","2008","10","","370","376","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017821","10.057","","10.057","","7.4349","","90","","90","","120","","651.242","","","","","","","","","","","","Synthetic","4","P 63/m","-P 6c","176","","","","- H O13 Sr5 V3 -","- H O13 Sr5 V3 -","- H2 O26 Sr10 V6 -","2","0.166667","","Mugavero, S. J.; Bharathy, M.; McAlum, J.; Loye, H. C.","Crystal growth of alkaline earth vanadates from hydroxide fluxes","Solid State Sciences","2008","10","","370","376","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017822","7.802","","5.908","","10.376","","90","","90","","90","","478.274","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","","- Ba K O4 V -","- Ba K O4 V -","- Ba4 K4 O16 V4 -","4","0.5","","Mugavero, S. J.; Bharathy, M.; McAlum, J.; Loye, H. C.","Crystal growth of alkaline earth vanadates from hydroxide fluxes","Solid State Sciences","2008","10","","370","376","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""