# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-07-02T07:00:01+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'CrystEngComm') AND volume = 4 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
"7204391","12.111","0.0009","12.111","0.0009","6.543","0.0004","90","","90","","90","","959.7","0.12","293","2","293","2","","","","","","","","3","P -4 21 c","P -4 2n","114","Ph4Pb","Ph4Pb","","- C6 H5 Pb0.25 -","- C6 H5 Pb0.25 -","- C48 H40 Pb2 -","8","1","","Claborn, Kacey; Kahr, Bart; Kaminsky, Werner","Calculations of optical properties of the tetraphenyl-X family of isomorphous crystals (X = C, Si, Ge, Sn, Pb)","CrystEngComm","2002","4","46","252","256","10.1039/b202304k","","","0.7107","MoKα","","0.0559","0.0487","","","0.1319","0.1496","","","","","","1.103","","","","has coordinates","274635","2022-04-22","15:45:46",""
"7204392","12.068","0.0004","12.068","0.0004","6.557","0.0003","90","","90","","90","","954.94","0.06","293","2","293","2","","","","","","","","3","P -4 21 c","P -4 2n","114","Ph4Sn","Ph4Sn","","- C24 H20 Sn -","- C24 H20 Sn -","- C48 H40 Sn2 -","2","0.25","","Claborn, Kacey; Kahr, Bart; Kaminsky, Werner","Calculations of optical properties of the tetraphenyl-X family of isomorphous crystals (X = C, Si, Ge, Sn, Pb)","CrystEngComm","2002","4","46","252","256","10.1039/b202304k","","","0.7107","MoKα","","0.0338","0.0238","","","0.0594","0.0671","","","","","","1.132","","","","has coordinates","274635","2022-04-22","15:45:46",""
"7204393","11.616","0.0005","11.616","","6.902","0.0003","90","","90","","90","","931.3","0.06","293","2","293","2","","","","","","","","3","P -4 21 c","P -4 2n","114","Ph4Ge","Ph4Ge","","- C24 H20 Ge -","- C24 H20 Ge -","- C48 H40 Ge2 -","2","0.25","","Claborn, Kacey; Kahr, Bart; Kaminsky, Werner","Calculations of optical properties of the tetraphenyl-X family of isomorphous crystals (X = C, Si, Ge, Sn, Pb)","CrystEngComm","2002","4","46","252","256","10.1039/b202304k","","","0.7107","MoKα","","0.0345","0.0258","","","0.0626","0.0667","","","","","","1.039","","","","has coordinates","274635","2022-04-22","15:45:46",""
"7204394","11.4476","0.0009","11.4476","0.0009","7.0644","0.0006","90","","90","","90","","925.77","0.13","293","2","293","2","","","","","","","","3","P -4 21 c","P -4 2n","114","Ph4Si","Ph4Si","","- C6 H5 Si0.25 -","- C6 H5 Si0.25 -","- C48 H40 Si2 -","8","1","","Claborn, Kacey; Kahr, Bart; Kaminsky, Werner","Calculations of optical properties of the tetraphenyl-X family of isomorphous crystals (X = C, Si, Ge, Sn, Pb)","CrystEngComm","2002","4","46","252","256","10.1039/b202304k","","","0.7107","MoKα","","0.0456","0.0348","","","0.0745","0.0824","","","","","","1.033","","","","has coordinates","274635","2022-04-22","15:45:46",""
"7204395","10.905","0.001","10.905","0.001","7.285","0.0005","90","","90","","90","","866.33","0.13","293","2","293","2","","","","","","","","2","P -4 21 c","P -4 2n","114","Ph4C","Ph4C","","- C6.25 H5 -","- C6.25 H5 -","- C50 H40 -","8","1","","Claborn, Kacey; Kahr, Bart; Kaminsky, Werner","Calculations of optical properties of the tetraphenyl-X family of isomorphous crystals (X = C, Si, Ge, Sn, Pb)","CrystEngComm","2002","4","46","252","256","10.1039/b202304k","","","0.7107","MoKα","","0.065","0.0388","","","0.0816","0.0946","","","","","","1.066","","","","has coordinates","274635","2022-04-22","15:45:46",""
"7216557","6.9524","0.0008","13.6858","0.0009","16.334","0.002","90","","100.148","0.005","90","","1529.9","0.3","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H27 O3 -","- C17 H27 O3 -","- C68 H108 O12 -","4","1","","Yue, Weimin; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Co-crystalline hydrogen bonded solids formed by helical tubuland diols","CrystEngComm","2002","4","98","591","","10.1039/b210594b","","","1.54184","CuKα","","","0.055","","","","0.1","","","","","","1.92","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216558","10.87","0.004","16.939","0.003","10.934","0.004","90","","93.99","0.02","90","","2008.4","1.1","294","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H32 O4 -","- C21 H34 O4 -","- C84 H136 O16 -","4","0.5","","Yue, Weimin; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Co-crystalline hydrogen bonded solids formed by helical tubuland diols","CrystEngComm","2002","4","98","591","","10.1039/b210594b","","","1.54184","CuKα","","","0.047","","","","0.065","","","","","","1.86","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216559","7.1","0.001","13.567","0.001","16.783","0.003","90","","106.83","0.007","90","","1547.4","0.4","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 O3 -","- C16 H30 O3 -","- C64 H120 O12 -","4","1","","Yue, Weimin; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Co-crystalline hydrogen bonded solids formed by helical tubuland diols","CrystEngComm","2002","4","98","591","","10.1039/b210594b","","","1.54184","CuKα","","","0.055","","","","0.101","","","","","","1.67","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216560","12.866","0.004","13.845","0.004","12.361","0.004","90","","114.8","0.01","90","","1998.8","1.1","294","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 Br2 Cl2 N2 -","- C22 H12 Br2 Cl2 N2 -","- C88 H48 Br8 Cl8 N8 -","4","1","","Alshahateet, Solhe F.; Rahman, A. Noman M. M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Interlocking molecular grid lattices involving weak assembly forces","CrystEngComm","2002","4","97","585","","10.1039/b209897k","","","0.71073","MoKα","","","0.039","","","","0.047","","","","","","1.47","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216561","13.308","0.008","10.505","0.007","11.296","0.007","90","","100.54","0.02","90","","1552.5","1.7","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 -","- C22 H16 N2 -","- C88 H64 N8 -","4","1","","Alshahateet, Solhe F.; Rahman, A. Noman M. M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Interlocking molecular grid lattices involving weak assembly forces","CrystEngComm","2002","4","97","585","","10.1039/b209897k","","","0.71073","MoKα","","","0.049","","","","0.059","","","","","","1.7","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216562","8.1111","0.0005","14.1487","0.0009","11.7504","0.0008","90","","106.91","0.001","90","","1290.19","0.14","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Complex between 1,2-bis(3-pyridyl)butadiyne and bis(hexafluoroacetylacetonate)Zn","","","- C24 H10 F12 N2 O4 Zn -","- C24 H10 F12 N2 O4 Zn -","- C48 H20 F24 N4 O8 Zn2 -","2","0.5","","Zaman, Md. Badruz; Udachin, Konstantin A.; Ripmeester, John A.","One-dimensional coordination polymers generated from 1,2-bis(x-pyridyl)butadiyne (x�= 3 and 4) and bis(hexafluoroacetylacetonato)M(ii) (M = Cu, Mn, Zn)","CrystEngComm","2002","4","103","613","","10.1039/b209938a","","","0.7107","MoKα","","0.0484","0.0319","","","0.0768","0.0831","","","","","","1.005","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216563","8.1706","0.0005","14.3761","0.0008","11.5533","0.0007","90","","105.813","0.001","90","","1305.71","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Complex between 1,2-bis(3-pyridyl)butadiyne and bis(hexafluoroacetylacetonate)Mn","","","- C24 H10 F12 Mn N2 O4 -","- C24 H10 F12 Mn N2 O4 -","- C48 H20 F24 Mn2 N4 O8 -","2","0.5","","Zaman, Md. Badruz; Udachin, Konstantin A.; Ripmeester, John A.","One-dimensional coordination polymers generated from 1,2-bis(x-pyridyl)butadiyne (x�= 3 and 4) and bis(hexafluoroacetylacetonato)M(ii) (M = Cu, Mn, Zn)","CrystEngComm","2002","4","103","613","","10.1039/b209938a","","","0.7107","MoKα","","0.0456","0.0338","","","0.0884","0.0945","","","","","","1.003","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216564","8.0304","0.0004","13.8823","0.0007","12.0812","0.0006","90","","106.194","0.001","90","","1293.38","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Complex between 1,2-bis(3-pyridyl)butadiyne and bis(hexafluoroacetylacetonate)Cu","","","- C24 H10 Cu F12 N2 O4 -","- C24 H10 Cu F12 N2 O4 -","- C48 H20 Cu2 F24 N4 O8 -","2","0.5","","Zaman, Md. Badruz; Udachin, Konstantin A.; Ripmeester, John A.","One-dimensional coordination polymers generated from 1,2-bis(x-pyridyl)butadiyne (x�= 3 and 4) and bis(hexafluoroacetylacetonato)M(ii) (M = Cu, Mn, Zn)","CrystEngComm","2002","4","103","613","","10.1039/b209938a","","","0.7107","MoKα","","0.0424","0.0358","","","0.1014","0.106","","","","","","1.041","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216565","6.6626","0.0009","9.3393","0.0012","10.5602","0.0013","98.648","0.002","101.102","0.003","92.668","0.002","635.54","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","Complex between 1,2-bis(4-pyridyl)butadiyne and bis(hexafluoroacetylacetonate)Mn","","","- C12 H5 F6 Mn N O2 -","- C12 H5 F6 Mn0.5 N O2 -","- C24 H10 F12 Mn N2 O4 -","2","1","","Zaman, Md. Badruz; Udachin, Konstantin A.; Ripmeester, John A.","One-dimensional coordination polymers generated from 1,2-bis(x-pyridyl)butadiyne (x�= 3 and 4) and bis(hexafluoroacetylacetonato)M(ii) (M = Cu, Mn, Zn)","CrystEngComm","2002","4","103","613","","10.1039/b209938a","","","0.7107","MoKα","","0.1571","0.0641","","","0.1221","0.1489","","","","","","0.929","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216566","13.164","0.003","13.998","0.004","20.75","0.006","79.08","0.02","79.91","0.02","80.14","0.02","3658.4","1.7","294","","","","","","","","","","","4","P -1","-P 1","2","","","","- C80 H52 Br12 N6 -","- C80 H46 Br12 N6 -","- C160 H92 Br24 N12 -","2","1","","Bishop, Roger; Rahman, A. Noman M. M.; Ashmore, Jason; Craig, Donald C.; Scudder, Marcia L.","Preparation of solvent-free clathrand structures by the exclusion of an unwelcome guest","CrystEngComm","2002","4","101","605","","10.1039/b210215c","","","0.71073","MoKα","","","0.052","","","","0.057","","","","","","1.64","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216567","27.579","0.007","32.87","0.008","4.447","0.001","90","","90","","90","","4031.3","1.7","294","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C22 H12 Br4 N2 -","- C22 H12 Br4 N2 -","- C176 H96 Br32 N16 -","8","0.5","","Bishop, Roger; Rahman, A. Noman M. M.; Ashmore, Jason; Craig, Donald C.; Scudder, Marcia L.","Preparation of solvent-free clathrand structures by the exclusion of an unwelcome guest","CrystEngComm","2002","4","101","605","","10.1039/b210215c","","","0.71073","MoKα","","","0.039","","","","0.048","","","","","","1.69","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216568","6.571","0.002","21.718","0.006","12.65","0.004","90","","90","","90","","1805.3","0.9","150","2","150","2","","","","","","","","6","C m c m","-C 2c 2","63","[CuL2m]4[CuCl4]Cl6.5H2O","","","- C32 H82 Cl10 Cu5 N32 O13 -","- C32 H56 Cl10 Cu5 N32 O13 -","- C32 H56 Cl10 Cu5 N32 O13 -","1","0.0625","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire","Hydrogen-bonded supramolecular synthons in complexes of copper(ii) halides with polymethylene-linked bis(amidino-O-alkylurea) ligands","CrystEngComm","2002","4","92","552","","10.1039/b208617d","","","0.71073","MoKα","","0.0686","0.0548","","0.164","","0.155","","","1.085","","","1.163","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216569","6.624","0.001","12.677","0.002","13.059","0.002","94.082","0.002","99.368","0.003","91.58","0.003","1078.4","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[CuL2e]Cl2.3H2O.MeOH","","","- C11 H32 Cl2 Cu N8 O6 -","- C11 H32 Cl2 Cu N8 O6 -","- C22 H64 Cl4 Cu2 N16 O12 -","2","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire","Hydrogen-bonded supramolecular synthons in complexes of copper(ii) halides with polymethylene-linked bis(amidino-O-alkylurea) ligands","CrystEngComm","2002","4","92","552","","10.1039/b208617d","","","0.71073","MoKα","","0.0629","0.0395","","0.0945","","0.0878","","","0.945","","","1.045","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216570","12.656","0.002","13.541","0.002","21.543","0.003","90","","90.071","0.002","90","","3691.9","0.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[CuL3m](Cl)2(MeOH)0.5(H2O)","","","- C10 H25 Cl2 Cu N8 O3.5 -","- C10 H20 Cl2 Cu N8 O3.5 -","- C80 H160 Cl16 Cu8 N64 O28 -","8","2","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire","Hydrogen-bonded supramolecular synthons in complexes of copper(ii) halides with polymethylene-linked bis(amidino-O-alkylurea) ligands","CrystEngComm","2002","4","92","552","","10.1039/b208617d","","","0.71073","MoKα","","0.0751","0.0542","","0.1566","","0.1461","","","1.054","","","1.125","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216571","21.904","0.006","12.9712","0.0004","6.7694","0.0002","90","","90","","90","","1923.3","0.5","120","2","120","2","","","","","","","","6","P n n a","-P 2a 2bc","52","1,3-Bis(amidino-O-methylurea)propanecopper(II) bromide methanol solvate hydrate (1:1:0.3)","1,3-Bis(amidino-O-methylurea)propanecopper(II) bromide methanol solvate hydrate (1:1:0.3)","","- C10 H24.6 Br2 Cu N8 O3.3 -","- C10 H20 Br2 Cu N8 O3.3 -","- C40 H80 Br8 Cu4 N32 O13.2 -","4","0.5","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire","Hydrogen-bonded supramolecular synthons in complexes of copper(ii) halides with polymethylene-linked bis(amidino-O-alkylurea) ligands","CrystEngComm","2002","4","92","552","","10.1039/b208617d","","","0.71073","MoKα","","0.0811","0.0503","","","0.1291","0.1435","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216572","8.506","0.003","10.264","0.002","10.715","0.002","111.71","0.02","93.51","0.02","103.06","0.02","835.7","0.4","220","1","220","1","","","","","","","","6","P -1","-P 1","2","[CuL2m]Cl2.2H2O","","","- C8 H22 Cl2 Cu N8 O4 -","- C8 H22 Cl2 Cu N8 O4 -","- C16 H44 Cl4 Cu2 N16 O8 -","2","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire","Hydrogen-bonded supramolecular synthons in complexes of copper(ii) halides with polymethylene-linked bis(amidino-O-alkylurea) ligands","CrystEngComm","2002","4","92","552","","10.1039/b208617d","","","0.71073","MoKα","","0.0777","0.0521","","0.1114","","0.0936","","","1.189","","","1.181","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216573","19.013","0.002","19.013","0.002","14.026","0.004","90","","90","","90","","5070.3","1.6","223","","223","","","","","","","","see paper","6","I -4 2 d","I -4 2bw","122","Compound 5","tris(rac-trans-1,2-diaminocyclohexane)chromium(III) trichloride dihydrate","","- C18 H46 Cl3 Cr N6 O2 -","- C18 H46 Cl3 Cr N6 O2 -","- C144 H368 Cl24 Cr8 N48 O16 -","8","0.5","","Kalf, Irmgard; Calmuschi, Beatrice; Englert, Ulli","Chiral Cr(iii) and Co(iii) complex cations as building blocks for ordered and disordered salts","CrystEngComm","2002","4","91","548","","10.1039/b207786h","","","0.71073","Mo-Kα","","0.0357","0.0333","","","0.084","0.0848","","","","","","1.048","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216574","18.924","0.004","19.117","0.003","13.892","0.004","90","","90","","90","","5026","2","213","","213","","","","","","","","see paper","7","I 21 21 21","I 2b 2c","24","Compound 7","Delta-tris(R,R-trans-1,2-diaminocyclohexane)chromiumtrichloride Lambda-tris(S,S-trans-1,2-diaminocyclohexane)cobalt(III)trichloride tetrahydrate","","- C36 H92 Cl6 Co Cr N12 O4 -","- C36 H92 Cl6 Co Cr N12 O4 -","- C144 H368 Cl24 Co4 Cr4 N48 O16 -","4","0.5","","Kalf, Irmgard; Calmuschi, Beatrice; Englert, Ulli","Chiral Cr(iii) and Co(iii) complex cations as building blocks for ordered and disordered salts","CrystEngComm","2002","4","91","548","","10.1039/b207786h","","","0.71073","Mo-Kα","","0.0477","0.0395","","","0.0962","0.0987","","","","","","1.05","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216575","10.4005","0.0004","11.8621","0.0005","17.3981","0.0007","97.621","0.001","90.256","0.001","111.417","0.001","1977.31","0.14","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H88 As2 N4 O36 V10 -","- C64 H88 As2 N4 O36 V10 -","- C64 H88 As2 N4 O36 V10 -","1","0.5","","Sharma, Sanjeev; Ramanan, Arunachalam; Zavalij, Peter Y.; Whittingham, M. Stanley","The first example of a novel one-dimensional cyclic tetrameric metavanadate: [PPh4]2V4O11","CrystEngComm","2002","4","100","601","","10.1039/b209979a","","","0.71073","MoKα","","0.0412","0.0338","","","0.0862","0.0901","","","","","","1.041","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216576","7.7127","0.0004","24.2056","0.0012","36.5848","0.0018","90","","94.75","0.001","90","","6806.6","0.6","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tetraphenylphosponium vanadium oxide","","- C48 H40 O11 P2 V4 -","- C48 H40 O11 P2 V4 -","- C288 H240 O66 P12 V24 -","6","1.5","","Sharma, Sanjeev; Ramanan, Arunachalam; Zavalij, Peter Y.; Whittingham, M. Stanley","The first example of a novel one-dimensional cyclic tetrameric metavanadate: [PPh4]2V4O11","CrystEngComm","2002","4","100","601","","10.1039/b209979a","","","0.71073","MoKα","","0.0928","0.0547","","","0.106","0.1216","","","","","","1.002","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216577","25.2074","0.0016","9.8028","0.0006","17.4609","0.0011","90","","94.077","0.001","90","","4303.7","0.5","90","1","90","1","","","","","","","","2","C 1 2/c 1","-C 2yc","15","diPhAnthracene-C60","Diphenyl anthracene fullerene-C60 complex","","- C86 H18 -","- C86 H18 -","- C344 H72 -","4","0.5","","Litvinov, A. L.; Konarev, D. V.; Kovalevsky, A. Yu.; Neretin, I. S.; Slovokhotov, Yu. L.; Coppens, P.; Lyubovskaya, R. N.","Molecular complexes of fullerene C60 with aromatic hydrocarbons containing flexible phenyl substituents","CrystEngComm","2002","4","104","618","","10.1039/b209875j","","","0.71073","MoKα","","0.0572","0.0388","","","0.0888","0.097","","","","","","1.032","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216578","13.255","0.003","18.55","0.005","18.597","0.005","90","","108.882","0.006","90","","4326.6","1.9","110","1","110","1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","C60 TPB clathrate","[60]fullerene triphenylbenzene clathrate","","- C84 H18 -","- C84 H18 -","- C336 H72 -","4","1","","Litvinov, A. L.; Konarev, D. V.; Kovalevsky, A. Yu.; Neretin, I. S.; Slovokhotov, Yu. L.; Coppens, P.; Lyubovskaya, R. N.","Molecular complexes of fullerene C60 with aromatic hydrocarbons containing flexible phenyl substituents","CrystEngComm","2002","4","104","618","","10.1039/b209875j","","","0.71073","MoKα","","0.185","0.0812","","0.2195","0.174","","","","0.932","1.204","1.204","","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216579","10.089","0.006","12.709","0.005","13.642","0.005","91.17","0.04","91.06","0.05","111.42","0.03","1627.4","1.3","110","1","110","1","","","","","","","","3","P -1","-P 1","2","","[60]fullerene 1,3,5-triphenylbenzene chlorobenzene clathrate","","- C114 H41 Cl -","- C114 H41 Cl -","- C114 H41 Cl -","1","0.5","","Litvinov, A. L.; Konarev, D. V.; Kovalevsky, A. Yu.; Neretin, I. S.; Slovokhotov, Yu. L.; Coppens, P.; Lyubovskaya, R. N.","Molecular complexes of fullerene C60 with aromatic hydrocarbons containing flexible phenyl substituents","CrystEngComm","2002","4","104","618","","10.1039/b209875j","","","0.71073","MoKα","","0.1158","0.0904","","","0.2414","0.2719","","","","","","1.044","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216580","10.4757","0.0007","32.92","0.002","10.3173","0.0007","90","","118.224","0.002","90","","3135","0.4","90","1","90","1","","","","","","","","2","C 1 2/m 1","-C 2y","12","TetraPhEthylene-C60","Tetraphenylehtylene fullerene-C60 complex","","- C28 H10 -","- C28 H10 -","- C224 H80 -","8","1","","Litvinov, A. L.; Konarev, D. V.; Kovalevsky, A. Yu.; Neretin, I. S.; Slovokhotov, Yu. L.; Coppens, P.; Lyubovskaya, R. N.","Molecular complexes of fullerene C60 with aromatic hydrocarbons containing flexible phenyl substituents","CrystEngComm","2002","4","104","618","","10.1039/b209875j","","","0.71073","MoKα","","0.0876","0.0563","","","0.1327","0.1473","","","","","","0.962","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216581","4.0446","0.0002","15.7964","0.0009","11.6721","0.0006","90","","91.563","0.003","90","","745.45","0.07","233","2","233","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Cu N4 Na O2 Se4 -","- C8 H8 Cu N4 Na O2 Se4 -","- C16 H16 Cu2 N8 Na2 O4 Se8 -","2","0.5","","Ribas, Xavi; Dias, Jo�o; Morgado, Jorge; Wurst, Klaus; Almeida, Manuel; Veciana, Jaume; Rovira, Concepci�","Novel Cu(iii) bis-1,2-diselenolene complex with a highly extended 3D framework through Na+ coordination","CrystEngComm","2002","4","93","564","","10.1039/b209330h","","","0.71073","MoKα","","0.0343","0.029","","","0.0644","0.0663","","","","","","1.067","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216582","6.057","0.002","6.941","0.001","9.381","0.001","90","","94.5","0.02","90","","393.18","0.15","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N6 Ni S2 -","- C2 H8 N6 Ni S2 -","- C4 H16 N12 Ni2 S4 -","2","0.5","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","Structural manipulation through selective substitution of hydrogen bonding groups: the supramolecular structures of bis(thiosemicarbazidato)nickel complexes","CrystEngComm","2002","4","89","539","","10.1039/b208284e","","","0.71069","MoKα","","0.0385","0.0348","","","0.084","0.0861","","","","","","1.122","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216583","9.956","0.002","4.6144","0.001","10.907","0.002","90","","110.034","0.005","90","","470.76","0.16","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H12 N6 Ni S2 -","- C4 H12 N6 Ni S2 -","- C8 H24 N12 Ni2 S4 -","2","0.5","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","Structural manipulation through selective substitution of hydrogen bonding groups: the supramolecular structures of bis(thiosemicarbazidato)nickel complexes","CrystEngComm","2002","4","89","539","","10.1039/b208284e","","","0.6898","Synchrotron","","0.0388","0.0286","","","0.0593","0.0617","","","","","","1.041","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216584","5.706","0.0003","7.19","0.0006","7.746","0.0007","71.278","0.003","88.176","0.005","82.442","0.005","298.34","0.04","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H16 N6 Ni S2 -","- C6 H16 N6 Ni S2 -","- C6 H16 N6 Ni S2 -","1","0.5","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","Structural manipulation through selective substitution of hydrogen bonding groups: the supramolecular structures of bis(thiosemicarbazidato)nickel complexes","CrystEngComm","2002","4","89","539","","10.1039/b208284e","","","0.71073","MoKα","","0.0353","0.03","","","0.075","0.0778","","","","","","1.046","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216585","5.6675","0.0004","7.6228","0.0007","8.0307","0.0007","91.356","0.005","94.19","0.005","96.79","0.005","343.41","0.05","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H20 N6 Ni S2 -","- C8 H20 N6 Ni S2 -","- C8 H20 N6 Ni S2 -","1","0.5","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","Structural manipulation through selective substitution of hydrogen bonding groups: the supramolecular structures of bis(thiosemicarbazidato)nickel complexes","CrystEngComm","2002","4","89","539","","10.1039/b208284e","","","0.71069","MoKα","","0.0523","0.0352","","","0.0743","0.0807","","","","","","0.97","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216586","26.901","0.006","26.901","0.006","5.7535","0.0012","90","","90","","120","","3605.8","1.4","150","2","133","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C10 H24 N6 Ni S2 -","- C10 H24 N6 Ni S2 -","- C90 H216 N54 Ni9 S18 -","9","0.5","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","Structural manipulation through selective substitution of hydrogen bonding groups: the supramolecular structures of bis(thiosemicarbazidato)nickel complexes","CrystEngComm","2002","4","89","539","","10.1039/b208284e","","","0.71073","MoKα","","0.0501","0.046","","","0.1015","0.1033","","","","","","1.211","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216587","13.8567","0.0008","8.1216","0.0005","17.0761","0.001","90","","102.229","0.001","90","","1878.11","0.19","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Cu N3 O5 -","- C22 H17 Cu N3 O5 -","- C88 H68 Cu4 N12 O20 -","4","1","","Lu, Jack Y.; Schauss, Vaughn","Two Cu(ii) complexes synthesized by using a solid-state compound with an extended crystal structure as the copper-ion source","CrystEngComm","2002","4","105","623","","10.1039/b210309e","","","0.71073","MoKα","","0.0345","0.0244","","","0.0649","0.07","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216588","7.5427","0.0003","12.6346","0.0006","13.8675","0.0006","79.491","0.001","83.787","0.001","81.277","0.001","1279.94","0.1","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H42 Cu3 N14 O8 -","- C54 H42 Cu3 N14 O8 -","- C54 H42 Cu3 N14 O8 -","1","0.5","","Lu, Jack Y.; Schauss, Vaughn","Two Cu(ii) complexes synthesized by using a solid-state compound with an extended crystal structure as the copper-ion source","CrystEngComm","2002","4","105","623","","10.1039/b210309e","","","0.71073","MoKα","","0.035","0.0264","","","0.0682","0.073","","","","","","0.995","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216589","9.4585","0.0002","10.2286","0.0002","15.4751","0.0004","71.744","0.001","87.438","0.001","66.696","0.001","1300.42","0.05","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","3-{2-[2-(3-hydroxy-3,3-diphenyl-prop-1-ynyl)-phenylazo]-phenyl}-1,1- diphenyl-prop-2-yn-1-ol N,N,N',N'-tetramethyethylenediamine toluene solvate","","- C62 H62 N4 O2 -","- C62 H62 N4 O2 -","- C62 H62 N4 O2 -","1","0.5","","Scott, Janet L.; Downie, Andrew P.; Asami, Masaya; Tanaka, Koichi","Chromogenic guest-responsive host compounds which allow rapid guest screening","CrystEngComm","2002","4","96","580","","10.1039/b206162g","","","0.71073","MoKα","","0.174","0.0793","","","0.2403","0.2911","","","","","","0.951","","","","has coordinates,has disorder","288216","2023-12-11","20:37:33",""
"7216590","9.1559","0.0002","10.5862","0.0003","11.6018","0.0004","89.27","0.001","84.726","0.002","65.225","0.002","1016.28","0.05","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","3-{3-[3-(3-hydroxy-3,3-diphenyl-prop-1-ynyl)-phenylazo]-phenyl} -1,1-diphenyl-prop-2-yn-1-ol pyridine solvate","","- C52 H40 N4 O2 -","- C52 H40 N4 O2 -","- C52 H40 N4 O2 -","1","0.5","","Scott, Janet L.; Downie, Andrew P.; Asami, Masaya; Tanaka, Koichi","Chromogenic guest-responsive host compounds which allow rapid guest screening","CrystEngComm","2002","4","96","580","","10.1039/b206162g","","","0.71073","MoKα","","0.1417","0.0489","","","0.0941","0.1176","","","","","","0.888","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216591","9.0344","0.0002","6.3416","0.0002","40.15","","90","","94.456","0.003","90","","2293.34","0.09","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-{4-[4-(3-hydroxy-3,3-diphenyl-prop-1-ynyl)-phenylazo]-phenyl}- 1,1-diphenyl-prop-2-yn-1-ol N,N,N',N'-tetramethylmethylenediamine solvate","","- C52 H58 N6 O2 -","- C52 H58 N6 O2 -","- C104 H116 N12 O4 -","2","0.5","","Scott, Janet L.; Downie, Andrew P.; Asami, Masaya; Tanaka, Koichi","Chromogenic guest-responsive host compounds which allow rapid guest screening","CrystEngComm","2002","4","96","580","","10.1039/b206162g","","","0.71073","MoKα","","0.1553","0.0539","","","0.1001","0.1287","","","","","","0.897","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216592","6.3341","0.0002","10.972","0.0003","16.0192","0.0005","104.947","0.001","94.277","0.001","93.557","0.002","1068.81","0.06","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","3-{3-[3-(3-hydroxy-3,3-diphenyl-prop-1-ynyl)-phenylazo]-phenyl}-1, 1-diphenyl-prop-2-yn-1-ol N,N,N',N'-tetramethylethylenediamine dichloromethane solvate","","- C49 H48 Cl2 N4 O2 -","- C49 H48 Cl2 N4 O2 -","- C49 H48 Cl2 N4 O2 -","1","0.5","","Scott, Janet L.; Downie, Andrew P.; Asami, Masaya; Tanaka, Koichi","Chromogenic guest-responsive host compounds which allow rapid guest screening","CrystEngComm","2002","4","96","580","","10.1039/b206162g","","","0.71073","MoKα","","0.1114","0.0699","","","0.187","0.21","","","","","","1.071","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216593","13.842","0.003","21.609","0.004","7.486","0.002","90","","93.653","0.004","90","","2234.6","0.9","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[CuL3e]{BF2(OMe)2}(BF4)","1,2-Bis(amidino-O-ethylurea)ethanecopper(II) difluorodimethoxyborate tetrafluoroborate","","- C12 H28 B2 Cu F6 N8 O4 -","- C12 H28 B2 Cu F6 N8 O4 -","- C48 H112 B8 Cu4 F24 N32 O16 -","4","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire","Generation and structural characterisation of a difluorodimethoxyborate-mediated hydrogen-bonded supramolecular synthon","CrystEngComm","2002","4","108","638","","10.1039/b210393c","","","0.71073","MoKα","","0.0707","0.0452","","","0.121","0.1301","","","","","","1.001","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216594","14.907","0.003","11.442","0.002","10.488","0.002","90","","94.78","0.03","90","","1782.7","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[CuL2m](BF4)2","1,2-Bis(amidino-O-methylurea)ethanecopper(II) tetrafluoroborate","","- C8 H18 B2 Cu F8 N8 O2 -","- C8 H18 B2 Cu F8 N8 O2 -","- C32 H72 B8 Cu4 F32 N32 O8 -","4","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire","Generation and structural characterisation of a difluorodimethoxyborate-mediated hydrogen-bonded supramolecular synthon","CrystEngComm","2002","4","108","638","","10.1039/b210393c","","","0.71073","MoKα","","0.0575","0.0477","","","0.1331","0.1398","","","","","","1.07","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216595","5.316","0.001","7.505","0.002","10.365","0.002","107.07","0.02","98.9","0.02","95.48","0.02","386.18","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H10 Cu0.5 Mn0.5 O8 -","- C3 H10 Cu0.5 Mn0.5 O8 -","- C6 H20 Cu Mn O16 -","2","1","","Rodr�guez-Mart�n, Yolanda; Sanchiz, Joaqu�n; Ruiz-P�rez, Catalina; Lloret, Francesc; Julve, Miguel","Alternating cationic?anionic layers in the [Mii(H2O)6][Cuii(mal)2(H2O)] complexes linked through hydrogen bonds (M = Mn, Co, Ni, Cu and Zn; H2mal = malonic acid)","CrystEngComm","2002","4","107","631","","10.1039/b206728e","","","0.71073","MoKα","","0.0532","0.0491","","","0.1341","0.1387","","","","","","1.098","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216596","5.266","0.001","7.495","0.001","10.332","0.002","107.14","0.001","98.99","0.002","96.17","0.001","379.77","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H10 Co0.5 Cu0.5 O8 -","- C3 H10 Co0.5 Cu0.5 O8 -","- C6 H20 Co Cu O16 -","2","1","","Rodr�guez-Mart�n, Yolanda; Sanchiz, Joaqu�n; Ruiz-P�rez, Catalina; Lloret, Francesc; Julve, Miguel","Alternating cationic?anionic layers in the [Mii(H2O)6][Cuii(mal)2(H2O)] complexes linked through hydrogen bonds (M = Mn, Co, Ni, Cu and Zn; H2mal = malonic acid)","CrystEngComm","2002","4","107","631","","10.1039/b206728e","","","0.71073","MoKα","","0.0314","0.0288","","","0.0855","0.09","","","","","","0.732","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216597","5.242","0.001","7.48","0.003","10.278","0.004","107.15","0.03","98.77","0.03","96.34","0.03","375.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H10 Cu0.5 Ni0.5 O8 -","- C3 H10 Cu0.5 Ni0.5 O8 -","- C6 H20 Cu Ni O16 -","2","1","","Rodr�guez-Mart�n, Yolanda; Sanchiz, Joaqu�n; Ruiz-P�rez, Catalina; Lloret, Francesc; Julve, Miguel","Alternating cationic?anionic layers in the [Mii(H2O)6][Cuii(mal)2(H2O)] complexes linked through hydrogen bonds (M = Mn, Co, Ni, Cu and Zn; H2mal = malonic acid)","CrystEngComm","2002","4","107","631","","10.1039/b206728e","","","0.71073","MoKα","","0.0476","0.0273","","","0.077","0.096","","","","","","0.705","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216598","5.241","0.001","7.584","0.0015","10.219","0.002","106.53","0.03","99.52","0.03","93.85","0.03","381.22","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C3 H10 Cu O8 -","- C3 H10 Cu O8 -","- C6 H20 Cu2 O16 -","2","1","","Rodr�guez-Mart�n, Yolanda; Sanchiz, Joaqu�n; Ruiz-P�rez, Catalina; Lloret, Francesc; Julve, Miguel","Alternating cationic?anionic layers in the [Mii(H2O)6][Cuii(mal)2(H2O)] complexes linked through hydrogen bonds (M = Mn, Co, Ni, Cu and Zn; H2mal = malonic acid)","CrystEngComm","2002","4","107","631","","10.1039/b206728e","","","0.71073","MoKα","","0.0526","0.0498","","","0.1257","0.1285","","","","","","1.046","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216599","5.274","0.002","7.5042","0.001","10.314","0.002","106.919","0.01","99.15","0.02","95.81","0.02","380.83","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H10 Cu0.5 O8 Zn0.5 -","- C3 H10 Cu0.5 O8 Zn0.5 -","- C6 H20 Cu O16 Zn -","2","1","","Rodr�guez-Mart�n, Yolanda; Sanchiz, Joaqu�n; Ruiz-P�rez, Catalina; Lloret, Francesc; Julve, Miguel","Alternating cationic?anionic layers in the [Mii(H2O)6][Cuii(mal)2(H2O)] complexes linked through hydrogen bonds (M = Mn, Co, Ni, Cu and Zn; H2mal = malonic acid)","CrystEngComm","2002","4","107","631","","10.1039/b206728e","","","0.71073","MoKα","","0.047","0.0439","","","0.116","0.119","","","","","","0.975","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216600","9.6113","0.0006","15.4223","0.0011","15.8657","0.0011","101.068","0.001","102.869","0.001","105.546","0.001","2128","0.3","178","2","178","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H14 O2 S4 Zn -","- C8 H14 O2 S4 Zn -","- C48 H84 O12 S24 Zn6 -","6","3","","Lai, Chian Sing; Lim, Yu Xian; Yap, Timothy C.; Tiekink, Edward R. T.","Molecular paving with zinc thiolates","CrystEngComm","2002","4","99","596","","10.1039/b210187d","","","0.71069","MoKalpha","","0.079","0.051","","","0.114","0.137","","","","","","1.02","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216601","17.2158","0.0007","19.9156","0.0009","14.3422","0.0006","90","","103.988","0.002","90","","4771.6","0.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H44 B2 Cu F8 N4 S4 -","- C48 H44 B2 Cu F8 N4 S4 -","- C192 H176 B8 Cu4 F32 N16 S16 -","4","0.5","","Holmes, Kathryn E.; Kelly, Paul F.; Elsegood, Mark R. J.","Structural diversity within the products of the reaction of Ph2SNH with copper(ii) tetrafluoroborate","CrystEngComm","2002","4","90","545","547","10.1039/b209185m","","","0.71073","MoKα","","0.0374","0.0293","","","0.0721","0.0783","","","","","","1.044","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216602","9.5206","0.0007","10.6097","0.0007","13.0115","0.0009","102.414","0.002","100.311","0.002","107.168","0.002","1184.26","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H44 B2 Cu F8 N4 S4 -","- C48 H44 B2 Cu F8 N4 S4 -","- C48 H44 B2 Cu F8 N4 S4 -","1","0.5","","Holmes, Kathryn E.; Kelly, Paul F.; Elsegood, Mark R. J.","Structural diversity within the products of the reaction of Ph2SNH with copper(ii) tetrafluoroborate","CrystEngComm","2002","4","90","545","547","10.1039/b209185m","","","0.71073","MoKα","","0.0399","0.0332","","","0.0811","0.0858","","","","","","1.057","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216603","14.6815","0.0005","10.149","0.0003","35.2706","0.0011","90","","99.88","0.002","90","","5177.5","0.3","150","2","150","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C50 H47 B2 Cu F8 N5 S4 -","- C50 H47 B2 Cu F8 N5 S4 -","- C200 H188 B8 Cu4 F32 N20 S16 -","4","1","","Holmes, Kathryn E.; Kelly, Paul F.; Elsegood, Mark R. J.","Structural diversity within the products of the reaction of Ph2SNH with copper(ii) tetrafluoroborate","CrystEngComm","2002","4","90","545","547","10.1039/b209185m","","","0.71073","MoKα","","0.0592","0.0432","","","0.1094","0.1197","","","","","","1.044","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216604","10.5191","0.0004","17.3144","0.0006","29.5797","0.001","90","","91.455","0.002","90","","5385.7","0.3","150","2","150","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C108 H99 B4 Cu2 F16 N9 S9 -","- C108 H99 B4 Cu2 F16 N9 S9 -","- C216 H198 B8 Cu4 F32 N18 S18 -","2","1","","Holmes, Kathryn E.; Kelly, Paul F.; Elsegood, Mark R. J.","Structural diversity within the products of the reaction of Ph2SNH with copper(ii) tetrafluoroborate","CrystEngComm","2002","4","90","545","547","10.1039/b209185m","","","0.71073","MoKα","","0.0656","0.052","","","0.1285","0.1416","","","","","","1.014","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216605","7.118","0.003","7.303","0.003","12.172","0.004","84.61","0.03","79.88","0.03","64.5","0.03","562.1","0.4","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","2-cyanoguanidine 2-(N-cyano)imino-4,6-dimethylpyrimidine adduct (1:1)","","- C9 H12 N8 -","- C9 H12 N8 -","- C18 H24 N16 -","2","1","","Quinlan, Daniel J.; Blake, Alexander J.; Hubberstey, Peter","Hydrogen-bonded two-dimensional sheet construction in the 1?1 adduct between 2-cyanoguanidine and 2-(N-cyano)imino-4,6-dimethylpyrimidine","CrystEngComm","2002","4","94","568","","10.1039/b208058n","","","0.71073","MoKα","","0.0916","0.06","","","0.1185","0.145","","","","","","1.234","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216606","15.1936","0.0002","7.2404","0.0001","17.3198","0.0001","90","","96.105","0.001","90","","1894.51","0.04","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 O6 -","- C22 H18 O6 -","- C88 H72 O24 -","4","1","","Liu, Rong; Valiyaveettil, Suresh; Mok, Kum-Fun; Vittal, Jagadese J.; Hoong, Angelia Kar Min","Solid-state self-assembly of 1,4-bis(2-carboxybenzyloxy)benzene in the presence and absence of aromatic amines","CrystEngComm","2002","4","95","574","","10.1039/b206055h","","","0.71073","MoKα","","0.0625","0.0443","","","0.1193","0.1296","","","","","","1.059","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216607","6.1009","0.0007","8.0739","0.0009","13.4904","0.0015","83.523","0.002","80.384","0.001","87.233","0.002","650.7","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H26 N2 O6 -","- C32 H26 N2 O6 -","- C32 H26 N2 O6 -","1","0.5","","Liu, Rong; Valiyaveettil, Suresh; Mok, Kum-Fun; Vittal, Jagadese J.; Hoong, Angelia Kar Min","Solid-state self-assembly of 1,4-bis(2-carboxybenzyloxy)benzene in the presence and absence of aromatic amines","CrystEngComm","2002","4","95","574","","10.1039/b206055h","","","0.71073","MoKα","","0.0887","0.0527","","","0.13","0.148","","","","","","1.035","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216608","8.9416","0.0011","8.1164","0.001","18.832","0.002","90","","91.627","0.003","90","","1366.2","0.3","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 N2 O6 -","- C34 H28 N2 O6 -","- C68 H56 N4 O12 -","2","0.5","","Liu, Rong; Valiyaveettil, Suresh; Mok, Kum-Fun; Vittal, Jagadese J.; Hoong, Angelia Kar Min","Solid-state self-assembly of 1,4-bis(2-carboxybenzyloxy)benzene in the presence and absence of aromatic amines","CrystEngComm","2002","4","95","574","","10.1039/b206055h","","","0.71073","MoKα","","0.1171","0.0981","","","0.2763","0.2994","","","","","","1.075","","","","has coordinates","180497","2020-10-21","18:00:00",""