# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-26T21:35:45+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'New Journal of Chemistry') AND volume = 28 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"7050118","10.716","0.001","16.811","0.001","13.097","0.001","90","","104.23","0.01","90","","2287","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N2 O2 S2 -","- C28 H24 N2 O2 S2 -","- C112 H96 N8 O8 S8 -","4","1","","Gudneppanavar Rajsekhar; Chebrolu P. Rao; Pauli Saarenketo; Kalle Nättinen; Kari Rissanen","Complexation behaviour of hexadentate ligands possessing N2O4 and N2O2S2 cores: differential reactivity towards Co(II), Ni(II) and Zn(II) salts and structures of the products","New J. Chem.","2004","28","1","75","84","10.1039/b305313j","","","0.71073","MoKα","","0.0744","0.0634","","","0.1619","0.1712","","","","","","1.033","","","","has coordinates,has disorder","180055","2020-10-21","18:00:00",""
"7050119","15.279","0.001","12.807","0.001","12.191","0.001","90","","94.51","0.01","90","","2378.1","0.3","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H21 Co N2 O2 S2 -","- C28 H21 Co N2 O2 S2 -","- C112 H84 Co4 N8 O8 S8 -","4","1","","Gudneppanavar Rajsekhar; Chebrolu P. Rao; Pauli Saarenketo; Kalle Nättinen; Kari Rissanen","Complexation behaviour of hexadentate ligands possessing N2O4 and N2O2S2 cores: differential reactivity towards Co(II), Ni(II) and Zn(II) salts and structures of the products","New J. Chem.","2004","28","1","75","84","10.1039/b305313j","","","0.71073","MoKα","","0.0303","0.0276","","","0.0624","0.0636","","","","","","1.063","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050120","11.383","0.001","11.383","0.001","18.347","0.001","90","","90","","90","","2377.3","0.3","173","2","173","2","","","","","","","","6","P 41","P 4w","76","","","","- C28 H22 N2 O2 S2 Zn -","- C28 H22 N2 O2 S2 Zn -","- C112 H88 N8 O8 S8 Zn4 -","4","1","","Gudneppanavar Rajsekhar; Chebrolu P. Rao; Pauli Saarenketo; Kalle Nättinen; Kari Rissanen","Complexation behaviour of hexadentate ligands possessing N2O4 and N2O2S2 cores: differential reactivity towards Co(II), Ni(II) and Zn(II) salts and structures of the products","New J. Chem.","2004","28","1","75","84","10.1039/b305313j","","","0.71073","MoKα","","0.0477","0.0375","","","0.0702","0.0737","","","","","","1.022","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050121","11.233","0.001","11.233","0.001","18.428","0.002","90","","90","","90","","2325.3","0.4","150","2","150","2","","","","","","","","6","P 41","P 4w","76","","","","- C28 H22 N2 Ni O2 S2 -","- C28 H22 N2 Ni O2 S2 -","- C112 H88 N8 Ni4 O8 S8 -","4","1","","Gudneppanavar Rajsekhar; Chebrolu P. Rao; Pauli Saarenketo; Kalle Nättinen; Kari Rissanen","Complexation behaviour of hexadentate ligands possessing N2O4 and N2O2S2 cores: differential reactivity towards Co(II), Ni(II) and Zn(II) salts and structures of the products","New J. Chem.","2004","28","1","75","84","10.1039/b305313j","","","0.71073","MoKα","","0.2345","0.194","","","0.4342","0.4559","","","","","","1.112","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050122","10.75","0.001","12.299","0.001","12.656","0.001","84.38","0.01","67.41","0.01","70.99","0.01","1460","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36.5 H28 N2 Ni O2.5 S2 -","- C36.5 H28 N2 Ni O2.5 S2 -","- C73 H56 N4 Ni2 O5 S4 -","2","1","","Gudneppanavar Rajsekhar; Chebrolu P. Rao; Pauli Saarenketo; Kalle Nättinen; Kari Rissanen","Complexation behaviour of hexadentate ligands possessing N2O4 and N2O2S2 cores: differential reactivity towards Co(II), Ni(II) and Zn(II) salts and structures of the products","New J. Chem.","2004","28","1","75","84","10.1039/b305313j","","","0.71073","MoKα","","0.075","0.0507","","","0.1099","0.1229","","","","","","1.055","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050123","22.994","0.001","7.612","0.001","17.98","0.002","90","","110.55","0.01","90","","2946.8","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H26 N2 O2 S2 Zn -","- C36 H26 N2 O2 S2 Zn -","- C144 H104 N8 O8 S8 Zn4 -","4","0.5","","Gudneppanavar Rajsekhar; Chebrolu P. Rao; Pauli Saarenketo; Kalle Nättinen; Kari Rissanen","Complexation behaviour of hexadentate ligands possessing N2O4 and N2O2S2 cores: differential reactivity towards Co(II), Ni(II) and Zn(II) salts and structures of the products","New J. Chem.","2004","28","1","75","84","10.1039/b305313j","","","0.71073","MoKα","","0.0529","0.0339","","","0.0664","0.0726","","","","","","1.036","","","","has coordinates","301851","2025-08-21","20:32:32",""
"7050124","13.929","0.0003","13.929","0.0003","14.231","0.0005","90","0.001","90","0.001","90","0.002","2761.06","0.13","173","2","173","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C16 H15 Co0.5 N O4 -","- C16 H15 Co0.5 N O4 -","- C128 H120 Co4 N8 O32 -","8","1","","Gudneppanavar Rajsekhar; Chebrolu P. Rao; Pauli Saarenketo; Kalle Nättinen; Kari Rissanen","Complexation behaviour of hexadentate ligands possessing N2O4 and N2O2S2 cores: differential reactivity towards Co(II), Ni(II) and Zn(II) salts and structures of the products","New J. Chem.","2004","28","1","75","84","10.1039/b305313j","","","0.71069","MoKα","","0.0787","0.0439","","","0.0924","0.106","","","","","","1.025","","","","has coordinates","301851","2025-08-21","20:32:32",""
"7050125","13.925","0.002","13.925","0.002","14.181","0.003","90","","90","","90","","2749.8","0.8","173","2","173","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C16 H15 N Ni0.5 O4 -","- C16 H15 N Ni0.5 O4 -","- C128 H120 N8 Ni4 O32 -","8","1","","Gudneppanavar Rajsekhar; Chebrolu P. Rao; Pauli Saarenketo; Kalle Nättinen; Kari Rissanen","Complexation behaviour of hexadentate ligands possessing N2O4 and N2O2S2 cores: differential reactivity towards Co(II), Ni(II) and Zn(II) salts and structures of the products","New J. Chem.","2004","28","1","75","84","10.1039/b305313j","","","0.71069","MoKα","","0.1044","0.0746","","","0.1695","0.1863","","","","","","1.063","","","","has coordinates","301851","2025-08-21","20:32:32",""
"7050126","13.925","0.002","13.925","0.002","14.181","0.003","90","","90","","90","","2749.8","0.8","173","2","173","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C15 H15 N O3 Zn0.5 -","- C15 H15 N O3 Zn0.5 -","- C120 H120 N8 O24 Zn4 -","8","1","","Gudneppanavar Rajsekhar; Chebrolu P. Rao; Pauli Saarenketo; Kalle Nättinen; Kari Rissanen","Complexation behaviour of hexadentate ligands possessing N2O4 and N2O2S2 cores: differential reactivity towards Co(II), Ni(II) and Zn(II) salts and structures of the products","New J. Chem.","2004","28","1","75","84","10.1039/b305313j","","","0.71069","MoKα","","0.0756","0.0382","","","0.0708","0.0818","","","","","","1","","","","has coordinates","301851","2025-08-21","20:32:32",""
"7050127","17.254","0.0002","8.395","0.0004","15.994","0.0006","90","0.001","90","0.001","90","0.002","2316.69","0.14","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H12 N O2 -","- C14 H12 N O2 -","- C112 H96 N8 O16 -","8","1","","Gudneppanavar Rajsekhar; Chebrolu P. Rao; Pauli Saarenketo; Kalle Nättinen; Kari Rissanen","Complexation behaviour of hexadentate ligands possessing N2O4 and N2O2S2 cores: differential reactivity towards Co(II), Ni(II) and Zn(II) salts and structures of the products","New J. Chem.","2004","28","1","75","84","10.1039/b305313j","","","0.71069","MoKα","","0.0939","0.066","","","0.1532","0.1711","","","","","","1.054","","","","has coordinates","301851","2025-08-21","20:32:32",""
"7050128","18.373","0.008","5.489","0.004","11.369","0.004","90","","124.22","0.03","90","","948.1","0.9","122","2","122","2","","","","","","","","3","C 1 2 1","C 2y","5","Schiff base","N-[(1E)-1H-pyrrol-2-ylmethylene]benzene-1,2-diamine","","- C11 H11 N3 -","- C11 H11 N3 -","- C44 H44 N12 -","4","1","","Munro, Orde Q.; Strydom, Sandra D.; Grimmer, Craig D.","Complementary hydrogen bonding in a new tridentate Schiff base ligand: X-ray, DFT and solution NMR studiesElectronic supplementary information (ESI) available: unit cell packing diagram for 3 (Fig. S1) and 1H NMR spectra of 3 as a function of the concentration of added H2O in CDCl3 solution (Fig. S2). See http://www.rsc.org/suppdata/nj/b3/b305946d/","New Journal of Chemistry","2004","28","1","34","","10.1039/b305946d","","","0.71073","MoKα","","0.0382","0.0361","","","0.1","0.1016","","","","","","1.063","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050129","11.13247","0.00012","20.67256","0.00017","7.44834","0.00005","90","","97.985","0.0006","90","","1697.52","0.03","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C11 H8 O2 -","- C11 H8 O2 -","- C88 H64 O16 -","8","2","","Nowell, Harriott; Paul Attfield, J.","X-Ray and neutron powder diffraction studies of the crystal structure of vitamin K3Electronic supplementary information (ESI) available: X-ray powder diffraction data. See http://www.rsc.org/suppdata/nj/b3/b306072a/","New Journal of Chemistry","2004","28","3","406","","10.1039/b306072a","powder diffraction","x-ray","0.598542","","","","","","","","","0.1076","","2.96","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050130","11.11103","0.00025","20.6416","0.0005","7.43426","0.0001","90","","97.949","0.0009","90","","1688.66","0.06","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C11 H8 O2 -","- C11 H8 O2 -","- C88 H64 O16 -","8","2","","Nowell, Harriott; Paul Attfield, J.","X-Ray and neutron powder diffraction studies of the crystal structure of vitamin K3Electronic supplementary information (ESI) available: X-ray powder diffraction data. See http://www.rsc.org/suppdata/nj/b3/b306072a/","New Journal of Chemistry","2004","28","3","406","","10.1039/b306072a","powder diffraction","","","","","","","","","","","","","2.72","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050131","29.5519","0.0012","10.0503","0.0005","19.316","0.0009","90","","112.005","0.004","90","","5319","0.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H36 N3 O7 V -","- C26 H36 N3 O7 V -","- C208 H288 N24 O56 V8 -","8","1","","Jozef Tatiersky; Peter Schwendt; Jaromír Marek; Michal Sivák","Racemic vanadium(V) oxo monoperoxo complexes with two achiral bidentate heteroligands. Synthesis, characterization, crystal structure and stereochemistry of K[VO(O2)(ox)(bpy)]·3H2O and Pr4N[VO(O2)(ox)(phen)]","New J. Chem.","2004","28","1","127","133","10.1039/b306090j","","","0.71073","MoKα","","0.0576","0.0417","","","0.0954","0.1021","","","","","","1.004","","","","has coordinates","301851","2025-08-21","20:32:32",""
"7050132","9.6777","0.0005","13.8879","0.0006","12.7353","0.0006","90","","97.606","0.005","90","","1696.6","0.14","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 K N2 O10 V -","- C12 H14 K N2 O10 V -","- C48 H56 K4 N8 O40 V4 -","4","1","","Jozef Tatiersky; Peter Schwendt; Jaromír Marek; Michal Sivák","Racemic vanadium(V) oxo monoperoxo complexes with two achiral bidentate heteroligands. Synthesis, characterization, crystal structure and stereochemistry of K[VO(O2)(ox)(bpy)]·3H2O and Pr4N[VO(O2)(ox)(phen)]","New J. Chem.","2004","28","1","127","133","10.1039/b306090j","","","0.71073","MoKα","","0.0301","0.0245","","0.0634","0.0615","","","","1.004","1.038","1.038","","","","","has coordinates","301851","2025-08-21","20:32:32",""
"7050133","9.755","0.004","8.478","0.003","17.791","0.003","90","","95.72","0.02","90","","1464","0.8","296.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 Fe2 N4 O4 -","- C32 H30 Fe2 N4 O4 -","- C64 H60 Fe4 N8 O8 -","2","0.5","","Horikoshi, Ryo; Nambu, Chisato; Mochida, Tomoyuki","Supramolecular assembly of ferrocenes via hydrogen bonds: dimensional variation in ferrocenylpyrimidine complexes with carboxylic acids and aromatic alcohols","New Journal of Chemistry","2004","28","1","26","","10.1039/b306699a","","","0.7107","MoKα","","","0.0601","","","","0.1801","","","","","","1.084","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050134","10.801","0.005","7.696","0.005","17.052","0.004","90","","95.1","0.03","90","","1411.8","1.2","296.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 Fe2 N4 O2 -","- C34 H30 Fe2 N4 O2 -","- C68 H60 Fe4 N8 O4 -","2","0.5","","Horikoshi, Ryo; Nambu, Chisato; Mochida, Tomoyuki","Supramolecular assembly of ferrocenes via hydrogen bonds: dimensional variation in ferrocenylpyrimidine complexes with carboxylic acids and aromatic alcohols","New Journal of Chemistry","2004","28","1","26","","10.1039/b306699a","","","0.7107","MoKα","","","0.0501","","","","0.1478","","","","","","1.067","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7050135","10.766","0.003","7.576","0.003","17.452","0.004","90","","94.59","0.02","90","","1418.9","0.8","296.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 Fe2 N4 O2 -","- C34 H28 Fe2 N4 O2 -","- C68 H56 Fe4 N8 O4 -","2","0.5","","Horikoshi, Ryo; Nambu, Chisato; Mochida, Tomoyuki","Supramolecular assembly of ferrocenes via hydrogen bonds: dimensional variation in ferrocenylpyrimidine complexes with carboxylic acids and aromatic alcohols","New Journal of Chemistry","2004","28","1","26","","10.1039/b306699a","","","0.7107","MoKα","","","0.0492","","","","0.143","","","","","","1.047","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7050136","7.406","0.003","19.131","0.007","20.727","0.003","90","","92.42","0.03","90","","2934.1","1.7","296.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 Fe2 N4 O4 S -","- C32 H30 Fe2 N4 O4 S -","- C128 H120 Fe8 N16 O16 S4 -","4","1","","Horikoshi, Ryo; Nambu, Chisato; Mochida, Tomoyuki","Supramolecular assembly of ferrocenes via hydrogen bonds: dimensional variation in ferrocenylpyrimidine complexes with carboxylic acids and aromatic alcohols","New Journal of Chemistry","2004","28","1","26","","10.1039/b306699a","","","0.7107","MoKα","","","0.0407","","","","0.1287","","","","","","1.03","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7050137","9.32","0.004","10.951","0.005","13.149","0.004","90","","99.32","0.03","90","","1324.3","0.9","296.3","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H26 Fe N2 O2 -","- C34 H26 Fe N2 O2 -","- C68 H52 Fe2 N4 O4 -","2","1","","Horikoshi, Ryo; Nambu, Chisato; Mochida, Tomoyuki","Supramolecular assembly of ferrocenes via hydrogen bonds: dimensional variation in ferrocenylpyrimidine complexes with carboxylic acids and aromatic alcohols","New Journal of Chemistry","2004","28","1","26","","10.1039/b306699a","","","0.7107","MoKα","","","0.042","","","","0.137","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050138","11.037","0.002","12.652","0.004","7.518","0.005","104.42","0.03","96.41","0.03","88.21","0.03","1010.4","0.8","296.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 Fe N2 O6 -","- C23 H18 Fe N2 O6 -","- C46 H36 Fe2 N4 O12 -","2","1","","Horikoshi, Ryo; Nambu, Chisato; Mochida, Tomoyuki","Supramolecular assembly of ferrocenes via hydrogen bonds: dimensional variation in ferrocenylpyrimidine complexes with carboxylic acids and aromatic alcohols","New Journal of Chemistry","2004","28","1","26","","10.1039/b306699a","","","0.7107","MoKα","","","0.0419","","","","0.1119","","","","","","1.055","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7050139","12.474","0.004","13.687","0.003","19.39","0.003","90","","94.1","0.02","90","","3302","1.4","296.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 Fe2 N4 O8 -","- C38 H30 Fe2 N4 O8 -","- C152 H120 Fe8 N16 O32 -","4","0.5","","Horikoshi, Ryo; Nambu, Chisato; Mochida, Tomoyuki","Supramolecular assembly of ferrocenes via hydrogen bonds: dimensional variation in ferrocenylpyrimidine complexes with carboxylic acids and aromatic alcohols","New Journal of Chemistry","2004","28","1","26","","10.1039/b306699a","","","0.7107","MoKα","","","0.0521","","","","0.1638","","","","","","1.016","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7050140","7.997","0.003","14.278","0.002","17.219","0.002","90","","90","","90","","1966.1","0.8","296.2","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C20 H22 Fe N2 O5 -","- C20 H17 Fe N2 O5 -","- C80 H68 Fe4 N8 O20 -","4","0.5","","Horikoshi, Ryo; Nambu, Chisato; Mochida, Tomoyuki","Supramolecular assembly of ferrocenes via hydrogen bonds: dimensional variation in ferrocenylpyrimidine complexes with carboxylic acids and aromatic alcohols","New Journal of Chemistry","2004","28","1","26","","10.1039/b306699a","","","0.7107","MoKα","","","0.0565","","","","0.1707","","","","","","1.162","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7050141","9.433","0.001","10.255","0.001","12.18","0.002","81.66","0.01","87.44","0.01","73.95","0.01","1120.3","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 O3 Sn -","- C24 H26 O3 Sn -","- C48 H52 O6 Sn2 -","2","1","","Chisholm, Malcolm H.; Delbridge, Ewan E.; Gallucci, Judith C.","Modeling the catalyst resting state in aryl tin(iv) polymerizations of lactide and estimating the relative rates of transamidation, transesterification and chain transferElectronic supplementary information (ESI) available: kinetic data of reactions C and E in Scheme 2. See http://www.rsc.org/suppdata/nj/b3/b306700a/","New Journal of Chemistry","2004","28","1","145","","10.1039/b306700a","","","0.71073","MoKα","","0.0312","0.024","","0.0554","0.0527","","","","1.081","1.1","1.1","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050142","11.554","0.001","11.075","0.001","19.704","0.002","90","","98.947","0.004","90","","2490.7","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 N2 O4 Sn -","- C24 H34 N2 O4 Sn -","- C96 H136 N8 O16 Sn4 -","4","1","","Chisholm, Malcolm H.; Delbridge, Ewan E.; Gallucci, Judith C.","Modeling the catalyst resting state in aryl tin(iv) polymerizations of lactide and estimating the relative rates of transamidation, transesterification and chain transferElectronic supplementary information (ESI) available: kinetic data of reactions C and E in Scheme 2. See http://www.rsc.org/suppdata/nj/b3/b306700a/","New Journal of Chemistry","2004","28","1","145","","10.1039/b306700a","","","0.71073","MoKα","","0.0452","0.0349","","0.0979","0.0926","","","","1.036","1.087","1.087","","","","","has coordinates,has disorder","180055","2020-10-21","18:00:00",""
"7050143","11.21","0.002","8.8436","0.0018","25.809","0.005","90","","98.39","0.03","90","","2531.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H40 Cl2 N4 O9 -","- C16 H38 Cl2 N4 O9 -","- C64 H152 Cl8 N16 O36 -","4","1","","Ali, Mahammad; Ray, Ambarish; Sheldrick, William S.; Mayer-Figge, H.; Gao, Song; Sahmes, Alexander I.","Synthesis, crystal structure, EPR and magnetic properties of a cyano-bridged Cuii?Niii heterobimetallic complex: an unusual structure with long-range ferromagnetic exchange through hydrogen bonding","New Journal of Chemistry","2004","28","3","412","","10.1039/b306866h","","","0.71073","MoKα","","0.1742","0.0737","","","0.14","0.1794","","","","","","1.003","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050144","15.14","0.009","12.002","0.004","14.286","0.005","90","","115.62","0.04","90","","2341","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H36 Cu N8 Ni -","- C20 H36 Cu N8 Ni -","- C80 H144 Cu4 N32 Ni4 -","4","0.5","","Ali, Mahammad; Ray, Ambarish; Sheldrick, William S.; Mayer-Figge, H.; Gao, Song; Sahmes, Alexander I.","Synthesis, crystal structure, EPR and magnetic properties of a cyano-bridged Cuii?Niii heterobimetallic complex: an unusual structure with long-range ferromagnetic exchange through hydrogen bonding","New Journal of Chemistry","2004","28","3","412","","10.1039/b306866h","","","0.71073","MoKα","","0.0906","0.0604","","","0.1568","0.1822","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050145","8.6072","0.0007","11.55","0.002","11.857","0.002","99.737","0.002","92.727","0.002","109.999","0.002","1084.6","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H9 Cu K N2 O7 -","- C6 H9 Cu K N2 O7 -","- C24 H36 Cu4 K4 N8 O28 -","4","2","","Malek, Kamilla; Vala, Martin; Swiatek-Kozlowska, Jolanta; Proniewicz, Leonard M.","Solid state study of the copper(ii) complex of 2-hydroxyiminopropanoic acidElectronic supplementary information (ESI) available: bond lengths, bond angles and hydrogen bonds for K[CuHL2]�H2O; harmonic frequencies, IR and Raman intensities and potential energy distributions for hpa and K[CuHL2]�H2O. See http://www.rsc.org/suppdata/nj/b3/b307066m/","New Journal of Chemistry","2004","28","4","477","","10.1039/b307066m","","","0.71073","MoKα","","0.0507","0.0333","","","0.0836","0.0893","","","","","","0.977","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050146","15.018","0.0015","5.0236","0.0005","9.9426","0.0006","90","","106.549","0.005","90","","719.04","0.11","240","2","240","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","hexanoic acid","hexanoic acid","","- C6 H12 O2 -","- C6 H12 O2 -","- C24 H48 O8 -","4","1","","Bond, Andrew D.","On the crystal structures and melting point alternation of the n-alkyl carboxylic acids","New Journal of Chemistry","2004","28","1","104","114","10.1039/b307208h","","","0.7107","MoKα","","0.0732","0.0504","","","0.1253","0.1393","","","","","","1.053","","","","has coordinates","297177","2025-01-07","15:02:33",""
"7050147","16.0089","0.0015","5.0764","0.0004","10.1589","0.0007","90","","92.864","0.003","90","","824.56","0.12","230","2","230","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","heptanoic acid","heptanoic acid","","- C7 H14 O2 -","- C7 H14 O2 -","- C28 H56 O8 -","4","1","","Bond, Andrew D.","On the crystal structures and melting point alternation of the n-alkyl carboxylic acids","New Journal of Chemistry","2004","28","1","104","114","10.1039/b307208h","","","0.7107","MoKα","","0.101","0.0624","","","0.1569","0.1855","","","","","","1.045","","","","has coordinates","297177","2025-01-07","15:02:39",""
"7050148","18.6641","0.0011","4.9756","0.0003","9.5741","0.0005","90","","95.774","0.002","90","","884.59","0.09","170","2","170","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","octanoic acid","octanoic acid","","- C8 H16 O2 -","- C8 H16 O2 -","- C32 H64 O8 -","4","1","","Bond, Andrew D.","On the crystal structures and melting point alternation of the n-alkyl carboxylic acids","New Journal of Chemistry","2004","28","1","104","114","10.1039/b307208h","","","0.7107","MoKα","","0.0853","0.0701","","","0.186","0.1963","","","","","","1.156","","","","has coordinates","297177","2025-01-07","15:02:47",""
"7050149","21.113","0.0003","4.9188","0.0006","10.1177","0.0007","90","","93.778","0.007","90","","1048.45","0.15","270","2","270","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","nonanoic acid","nonanoic acid","","- C9 H18 O2 -","- C9 H18 O2 -","- C36 H72 O8 -","4","1","","Bond, Andrew D.","On the crystal structures and melting point alternation of the n-alkyl carboxylic acids","New Journal of Chemistry","2004","28","1","104","114","10.1039/b307208h","","","0.7107","MoKα","","0.1142","0.0719","","","0.1874","0.2205","","","","","","1.095","","","","has coordinates","297177","2025-01-07","15:02:47",""
"7050150","22.844","0.0016","4.9612","0.0003","9.3977","0.0006","90","","93.559","0.004","90","","1063.02","0.12","170","2","170","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","decanoic acid","decanoic acid","","- C10 H20 O2 -","- C10 H20 O2 -","- C40 H80 O8 -","4","1","","Bond, Andrew D.","On the crystal structures and melting point alternation of the n-alkyl carboxylic acids","New Journal of Chemistry","2004","28","1","104","114","10.1039/b307208h","","","0.7107","MoKα","","0.1261","0.0925","","","0.2108","0.235","","","","","","1.091","","","","has coordinates","297177","2025-01-07","15:02:48",""
"7050151","25.839","0.003","4.9123","0.0004","10.0285","0.0011","90","","99.01","0.003","90","","1257.2","0.2","300","2","300","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","undecanoic acid","undecanoic acid","","- C11 H22 O2 -","- C11 H22 O2 -","- C44 H88 O8 -","4","1","","Bond, Andrew D.","On the crystal structures and melting point alternation of the n-alkyl carboxylic acids","New Journal of Chemistry","2004","28","1","104","114","10.1039/b307208h","","","0.7107","MoKα","","0.1022","0.0714","","","0.183","0.2063","","","","","","1.103","","","","has coordinates","297177","2025-01-07","15:02:48",""
"7050152","27.563","0.002","4.9627","0.0003","9.5266","0.0006","90","","98.006","0.002","90","","1290.41","0.15","270","2","270","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","dodecanoic acid","dodecanoic acid","","- C12 H24 O2 -","- C12 H24 O2 -","- C48 H96 O8 -","4","1","","Bond, Andrew D.","On the crystal structures and melting point alternation of the n-alkyl carboxylic acids","New Journal of Chemistry","2004","28","1","104","114","10.1039/b307208h","","","0.7107","MoKα","","0.0881","0.0671","","","0.1621","0.1813","","","","","","1.186","","","","has coordinates","297177","2025-01-07","15:02:48",""
"7050153","59.88","0.002","4.9425","0.0002","9.8118","0.0005","90","","93.8","0.002","90","","2897.5","0.2","310","2","310","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","tridecanoic acid","tridecanoic acid","","- C13 H26 O2 -","- C13 H26 O2 -","- C104 H208 O16 -","8","1","","Bond, Andrew D.","On the crystal structures and melting point alternation of the n-alkyl carboxylic acids","New Journal of Chemistry","2004","28","1","104","114","10.1039/b307208h","","","0.7107","MoKα","","0.0949","0.0597","","","0.1496","0.177","","","","","","1.079","","","","has coordinates","297177","2025-01-07","15:02:48",""
"7050154","31.559","0.003","4.9652","0.0005","9.426","0.0011","90","","94.432","0.004","90","","1472.6","0.3","270","2","270","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","tetradecanoic acid","tetradecanoic acid","","- C14 H28 O2 -","- C14 H28 O2 -","- C56 H112 O8 -","4","1","","Bond, Andrew D.","On the crystal structures and melting point alternation of the n-alkyl carboxylic acids","New Journal of Chemistry","2004","28","1","104","114","10.1039/b307208h","","","0.7107","MoKα","","0.0722","0.0564","","","0.142","0.1526","","","","","","1.12","","","","has coordinates","297177","2025-01-07","15:02:48",""
"7050155","69.258","0.003","4.9556","0.0002","9.7197","0.0004","90","","98.024","0.002","90","","3303.3","0.2","330","2","330","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","pentadecanoic acid","pentadecanoic acid","","- C15 H30 O2 -","- C15 H30 O2 -","- C120 H240 O16 -","8","1","","Bond, Andrew D.","On the crystal structures and melting point alternation of the n-alkyl carboxylic acids","New Journal of Chemistry","2004","28","1","104","114","10.1039/b307208h","","","0.71073","MoKα","","0.1315","0.0697","","","0.1564","0.1889","","","","","","1.118","","","","has coordinates","297177","2025-01-07","15:02:48",""
"7050156","8.949","0.002","9.856","0.002","8.358","0.002","102.12","0.03","110.5","0.03","74.78","0.03","660.6","0.3","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 Ag N5 O4 -","- C12 H8 Ag N5 O4 -","- C24 H16 Ag2 N10 O8 -","2","1","","Hou, Hongwei; Xie, Lixia; Li, Gang; Ge, Tiezhu; Fan, Yaoting; Zhu, Yu","Synthesis and crystal structures of a series of complexes based on a rigid angular ligand and the magnetic properties of the Cu(ii) polymer","New Journal of Chemistry","2004","28","2","191","199","10.1039/b307384j","","","0.71073","MoKα","","0.0529","0.0421","","0.0918","0.0884","","","","1.101","1.122","1.122","","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050157","29.829","0.006","13.139","0.003","8.5558","0.0017","90","","105.95","0.03","90","","3224.1","1.3","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 Cu2 N4 O11 -","- C22 H22 Cu2 N4 O11 -","- C88 H88 Cu8 N16 O44 -","4","0.5","","Hou, Hongwei; Xie, Lixia; Li, Gang; Ge, Tiezhu; Fan, Yaoting; Zhu, Yu","Synthesis and crystal structures of a series of complexes based on a rigid angular ligand and the magnetic properties of the Cu(ii) polymer","New Journal of Chemistry","2004","28","2","191","","10.1039/b307384j","","","0.71073","MoKα","","0.1342","0.0678","","","0.149","0.1692","","","","","","1.021","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050158","7.4061","0.0015","10.725","0.002","26.453","0.005","90","","96.11","0.03","90","","2089.2","0.7","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 Co N4 O10 S -","- C14 H19 Co N4 O10 S -","- C56 H76 Co4 N16 O40 S4 -","4","1","","Hou, Hongwei; Xie, Lixia; Li, Gang; Ge, Tiezhu; Fan, Yaoting; Zhu, Yu","Synthesis and crystal structures of a series of complexes based on a rigid angular ligand and the magnetic properties of the Cu(ii) polymer","New Journal of Chemistry","2004","28","2","191","","10.1039/b307384j","","","0.71073","MoKα","","0.0885","0.0547","","","0.1232","0.134","","","","","","1.07","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050159","4.1122","0.0008","13.463","0.003","23.674","0.005","90","","91.69","0.03","90","","1310.1","0.5","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Cd I2 N8 O2 -","- C24 H16 Cd I2 N8 O2 -","- C48 H32 Cd2 I4 N16 O4 -","2","0.5","","Hou, Hongwei; Xie, Lixia; Li, Gang; Ge, Tiezhu; Fan, Yaoting; Zhu, Yu","Synthesis and crystal structures of a series of complexes based on a rigid angular ligand and the magnetic properties of the Cu(ii) polymer","New Journal of Chemistry","2004","28","2","191","","10.1039/b307384j","","","0.71073","MoKα","","0.0783","0.0644","","0.185","0.1569","","","","1.127","1.138","1.138","","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050160","7.9571","0.0016","8.674","0.0017","11.326","0.002","94.31","0.03","110.17","0.03","94.66","0.03","726.9","0.3","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 Mn N10 O4 S2 -","- C26 H20 Mn N10 O4 S2 -","- C26 H20 Mn N10 O4 S2 -","1","0.5","","Hou, Hongwei; Xie, Lixia; Li, Gang; Ge, Tiezhu; Fan, Yaoting; Zhu, Yu","Synthesis and crystal structures of a series of complexes based on a rigid angular ligand and the magnetic properties of the Cu(ii) polymer","New Journal of Chemistry","2004","28","2","191","","10.1039/b307384j","","","0.71073","MoKα","","0.069","0.0594","","","0.1722","0.1821","","","","","","1.043","","","","has coordinates","301851","2025-08-21","20:32:32",""
"7050163","27.3962","0.0016","27.3962","0.0016","12.6672","0.001","90","","90","","120","","8233.6","0.9","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C28 H58 N8 Ni O4 -","- C28 H58 N8 Ni O4 -","- C252 H522 N72 Ni9 O36 -","9","0.5","","Gülay Gümüş; Vefa Ahsen; Colette Lebrun; Dominique Luneau; Jacques Pécaut","Unprecedented tubular channels assemblies afforded by alkyl-substituted oxamide oxime metal complexes","New J. Chem.","2004","28","2","177","179","10.1039/b307783g","","","0.71073","MoKα","","0.0977","0.0534","","","0.1508","0.1702","","","","","","1.006","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050164","27.8737","0.0019","27.8737","0.0019","12.4102","0.0013","90","","90","","120","","8350.2","1.2","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C28 H58 N8 O4 Pd -","- C28 H58 N8 O4 Pd -","- C252 H522 N72 O36 Pd9 -","9","0.5","","Gülay Gümüş; Vefa Ahsen; Colette Lebrun; Dominique Luneau; Jacques Pécaut","Unprecedented tubular channels assemblies afforded by alkyl-substituted oxamide oxime metal complexes","New J. Chem.","2004","28","2","177","179","10.1039/b307783g","","","0.71073","MoKα","","0.1684","0.046","","","0.1049","0.1504","","","","","","0.651","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050165","13.353","0.0001","17.5779","0.0001","17.4987","0.0002","90","","99.3274","0.0003","90","","4052.95","0.06","173","1","173","1","","","","","","","see text","9","P 1 n 1","P -2yac","7","Dichlorobis(triphenylphosphine oxide)zinc(ii)","","","- C81 H77 F3 N3 O6 P4 Re Ru S -","- C81 H77 F3 N3 O6 P4 Re Ru S -","- C162 H154 F6 N6 O12 P8 Re2 Ru2 S2 -","2","1","","Fritz E. Kühn; Jing-Lin Zuo; Fabrizia Fabrizi de Biani; Ana M. Santos; Yanmei Zhang; Jin Zhao; Angela Sandulache; Eberhardt Herdtweck","4-Ethynylpyridine as bridging moiety in mixed Ru/Re complexes","New J. Chem.","2004","28","1","43","51","10.1039/b307919h","","","0.71073","MoKα","","0.0431","0.0396","","","0.1015","0.104","","","","","","1.031","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050166","15.3648","0.0013","14.4941","0.0014","16.7893","0.0011","90.013","0.006","91.015","0.006","89.99","0.007","3738.4","0.5","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H42 N2 O6 -","- C46 H42 N2 O6 -","- C184 H168 N8 O24 -","4","1","","Miroslav Dudič; Pavel Lhoták; Ivan Stibor; Hana Petříčková; Kamil Lang","(Thia)calix[4]arene–porphyrin conjugates: novel receptors for fullerene complexation with C70 over C60 selectivity","New J. Chem.","2004","28","1","85","90","10.1039/b307988k","","","1.5418","CuKα","","0.2382","0.0953","","0.1347","0.0818","0.0814","","","","","","1.1779","","","","has coordinates","301851","2025-08-21","20:32:32",""
"7050167","18.037","0.003","17.973","0.002","19.697","0.002","90.007","0.009","112.25","0.01","90","0.01","5909.9","1.4","293","","293","","","","","","","","?","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H68 N2 O7 S4 -","- C60 H68 N2 O7 S4 -","- C240 H272 N8 O28 S16 -","4","1","","Miroslav Dudič; Pavel Lhoták; Ivan Stibor; Hana Petříčková; Kamil Lang","(Thia)calix[4]arene‒porphyrin conjugates: novel receptors for fullerene complexation with C70 over C60 selectivity","New J. Chem.","2004","28","1","85","90","10.1039/b307988k","","","1.5418","CuKα","","0.3075","0.1133","","0.2003","0.1011","0.101","","","","","","1.1699","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050168","15.777","0.003","10.409","0.002","15.932","0.003","90","","114.05","0.03","90","","2389.3","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Cl2 N4 Zn -","- C26 H20 Cl2 N4 Zn -","- C104 H80 Cl8 N16 Zn4 -","4","1","","Drew, Michael G. B.; Tocher, Derek A.; Chowdhury, Kiranmoy; Chowdhury, Shubhamoy; Datta, Dipankar","Zinc(ii) mediated synthesis of an N-substituted 2-(2-pyridyl)imidazole from a 1,2-diketone and 2-(aminomethyl)pyridine and its ligational behaviour","New Journal of Chemistry","2004","28","2","323","","10.1039/b308294f","","","0.71073","MoKα","","0.1102","0.0464","","0.3237","0.1135","","","","1.025","0.974","0.974","","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050169","16.513","0.018","16.513","0.018","39.02","0.04","90","","90","","90","","10640","2","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C52.5 H42 Cl3 N8 O8.5 Zn -","- C52.5 H40 Cl3.02 N8 O8.5 Zn -","- C420 H320 Cl24.16 N64 O68 Zn8 -","8","1","","Drew, Michael G. B.; Tocher, Derek A.; Chowdhury, Kiranmoy; Chowdhury, Shubhamoy; Datta, Dipankar","Zinc(ii) mediated synthesis of an N-substituted 2-(2-pyridyl)imidazole from a 1,2-diketone and 2-(aminomethyl)pyridine and its ligational behaviour","New Journal of Chemistry","2004","28","2","323","","10.1039/b308294f","","","0.71073","MoKα","","0.1336","0.1177","","","0.2299","0.2402","","","","","","1.243","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7050170","15.7601","0.0002","8.9331","0.0001","22.1109","0.0003","90","","90","","90","","3112.92","0.07","295","2","295","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C17 H12 Mn N2 O5 -","- C17 H12 Mn N2 O5 -","- C136 H96 Mn8 N16 O40 -","8","1","","Wang, Chih-Chieh; Lin, Hui-Wen; Yang, Cheng-Han; Liao, Chen-Hui; Lan, Ia-Ting; Lee, Gene-Hsiang","Synthesis and structure of a novel two-dimensional bilayer framework of a [M(C5O5)(dpe)] coordination polymer","New Journal of Chemistry","2004","28","2","180","","10.1039/b308379a","","","0.71073","MoKα","","0.0686","0.0393","","","0.0921","0.1114","","","","","","1.148","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050171","15.6685","0.0011","8.8628","0.0005","21.9418","0.0013","90","","90","","90","","3047","0.3","295","2","295","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C17 H12 Fe N2 O5 -","- C17 H12 Fe N2 O5 -","- C136 H96 Fe8 N16 O40 -","8","1","","Wang, Chih-Chieh; Lin, Hui-Wen; Yang, Cheng-Han; Liao, Chen-Hui; Lan, Ia-Ting; Lee, Gene-Hsiang","Synthesis and structure of a novel two-dimensional bilayer framework of a [M(C5O5)(dpe)] coordination polymer","New Journal of Chemistry","2004","28","2","180","","10.1039/b308379a","","","0.71073","MoKα","","0.0664","0.0481","","","0.1115","0.1202","","","","","","1.074","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050172","15.9401","0.0008","9.0137","0.0004","22.0831","0.0011","90","","90","","90","","3172.9","0.3","295","2","295","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C17 H12 Cd N2 O5 -","- C17 H12 Cd N2 O5 -","- C136 H96 Cd8 N16 O40 -","8","1","","Wang, Chih-Chieh; Lin, Hui-Wen; Yang, Cheng-Han; Liao, Chen-Hui; Lan, Ia-Ting; Lee, Gene-Hsiang","Synthesis and structure of a novel two-dimensional bilayer framework of a [M(C5O5)(dpe)] coordination polymer","New Journal of Chemistry","2004","28","2","180","","10.1039/b308379a","","","0.71073","MoKα","","0.0341","0.0272","","","0.0636","0.0668","","","","","","1.044","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050173","14.449","0.004","14.449","0.004","17.537","0.005","90","0.005","90","0.005","90","0.005","3661.3","1.8","293","2","293","2","","","","","","","","6","I -4","I -4","82","","","","- C64 H72 Cl3 O20 S8 Tb -","- C64 H68 Cl3 O20 S8 Tb -","- C128 H136 Cl6 O40 S16 Tb2 -","2","0.25","","Li, Jian-Rong; Bu, Xian-He; Zhang, Ruo-Hua; Duan, Chun-Ying; Man-Chung Wong, Keith; Wing-Wah Yam, Vivian","Lanthanide perchlorate complexes with 1,4-bis(phenylsulfinyl)butane: structures and luminescent properties","New Journal of Chemistry","2004","28","2","261","","10.1039/b308473f","","","0.71073","MoKα","","0.0797","0.0651","","","0.1577","0.1709","","","","","","1.002","","","","has coordinates,has disorder","180055","2020-10-21","18:00:00",""
"7050174","14.488","0.002","14.488","0.002","17.49","0.004","90","","90","","90","","3671.2","1.1","293","2","293","2","","","","","","","","6","I -4","I -4","82","","","","- C64 H72 Cl3 Eu O20 S8 -","- C64 H72 Cl3 Eu O20 S8 -","- C128 H144 Cl6 Eu2 O40 S16 -","2","0.25","","Li, Jian-Rong; Bu, Xian-He; Zhang, Ruo-Hua; Duan, Chun-Ying; Man-Chung Wong, Keith; Wing-Wah Yam, Vivian","Lanthanide perchlorate complexes with 1,4-bis(phenylsulfinyl)butane: structures and luminescent properties","New Journal of Chemistry","2004","28","2","261","","10.1039/b308473f","","","0.71073","MoKα","","0.0712","0.0674","","","0.1685","0.1745","","","","","","1.001","","","","has coordinates,has disorder","180055","2020-10-21","18:00:00",""
"7050175","14.469","0.002","14.469","0.002","17.509","0.004","90","","90","","90","","3665.5","1.1","293","2","293","2","","","","","","","","6","I -4","I -4","82","","","","- C64 H72 Cl3 Gd O20 S8 -","- C64 H72 Cl3 Gd O20 S8 -","- C128 H144 Cl6 Gd2 O40 S16 -","2","0.25","","Li, Jian-Rong; Bu, Xian-He; Zhang, Ruo-Hua; Duan, Chun-Ying; Man-Chung Wong, Keith; Wing-Wah Yam, Vivian","Lanthanide perchlorate complexes with 1,4-bis(phenylsulfinyl)butane: structures and luminescent properties","New Journal of Chemistry","2004","28","2","261","","10.1039/b308473f","","","0.71073","MoKα","","0.0769","0.0707","","","0.1806","0.1902","","","","","","0.989","","","","has coordinates,has disorder","180055","2020-10-21","18:00:00",""
"7050176","14.508","0.002","14.508","0.002","17.559","0.004","90","","90","","90","","3695.9","1.1","293","2","293","2","","","","","","","","6","I -4","I -4","82","","","","- C64 H72 Cl3 La O20 S8 -","- C64 H72 Cl3 La O20 S8 -","- C128 H144 Cl6 La2 O40 S16 -","2","0.25","","Li, Jian-Rong; Bu, Xian-He; Zhang, Ruo-Hua; Duan, Chun-Ying; Man-Chung Wong, Keith; Wing-Wah Yam, Vivian","Lanthanide perchlorate complexes with 1,4-bis(phenylsulfinyl)butane: structures and luminescent properties","New Journal of Chemistry","2004","28","2","261","","10.1039/b308473f","","","0.71073","MoKα","","0.1099","0.0873","","","0.2195","0.2432","","","","","","1.002","","","","has coordinates,has disorder","180055","2020-10-21","18:00:00",""
"7050177","14.426","0.002","14.426","0.002","17.487","0.004","90","","90","","90","","3639.2","1.1","293","2","293","2","","","","","","","","6","I -4","I -4","82","","","","- C64 H72 Cl3 O20 S8 Yb -","- C64 H72 Cl3 O20 S8 Yb -","- C128 H144 Cl6 O40 S16 Yb2 -","2","0.25","","Li, Jian-Rong; Bu, Xian-He; Zhang, Ruo-Hua; Duan, Chun-Ying; Man-Chung Wong, Keith; Wing-Wah Yam, Vivian","Lanthanide perchlorate complexes with 1,4-bis(phenylsulfinyl)butane: structures and luminescent properties","New Journal of Chemistry","2004","28","2","261","","10.1039/b308473f","","","0.71073","MoKα","","0.0671","0.0669","","","0.1647","0.1651","","","","","","1.002","","","","has coordinates,has disorder","180055","2020-10-21","18:00:00",""
"7050178","10.612","0.003","11.147","0.003","13.521","0.004","85.155","0.007","74.476","0.007","77.999","0.007","1506.7","0.7","566","2","566","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H31 F6 Fe2 N2 P -","- C32 H31 F6 Fe2 N2 P -","- C64 H62 F12 Fe4 N4 P2 -","2","1","","Carolina Manzur; César Zúñiga; Lorena Millán; Mauricio Fuentealba; Jose A. Mata; Jean-René Hamon; David Carrillo","Preparation, characterization and electrochemical and X-ray structural studies of new conjugated 1,1'-ferrocenediyl-ended [CpFe-arylhydrazone]+ salts","New J. Chem.","2004","28","1","134","144","10.1039/b308626g","","","0.71073","MoKα","","0.0949","0.0651","","","0.1192","0.1271","","","","","","1.174","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050179","12.573","0.0011","16.5448","0.0014","19.0521","0.0016","90","","90","","90","","3963.2","0.6","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","(1,1'-ferrocenedicarboxaldehyde-di((eta$5!-cyclopentadienyl) (eta$6!-4-methoxiphenylhydrazone)iron(ii)))hexaflurophosphate","{1,1'-ferrocenedicarboxaldehyde-di[(η^5^-cyclopentadienyl) (η^6^-4-methoxiphenylhydrazone)iron(II)]}hexaflurophosphate","","- C18 H18 F6 Fe1.5 N2 O P -","- C18 H18 F6 Fe1.5 N2 O P -","- C144 H144 F48 Fe12 N16 O8 P8 -","8","1","","Carolina Manzur; César Zúñiga; Lorena Millán; Mauricio Fuentealba; Jose A. Mata; Jean-René Hamon; David Carrillo","Preparation, characterization and electrochemical and X-ray structural studies of new conjugated 1,1'-ferrocenediyl-ended [CpFe-arylhydrazone]+ salts","New J. Chem.","2004","28","1","134","144","10.1039/b308626g","","","0.71073","MoKα","","0.1291","0.0442","","","0.0951","0.0991","","","","","","0.606","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050180","12.064","0.005","19.817","0.005","11.242","0.005","90.268","0.005","114.159","0.005","88.532","0.005","2451.4","1.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H71 N O6 -","- C54 H47 N O6 -","- C108 H94 N2 O12 -","2","1","","Arena, Giuseppe; Contino, Annalinda; Longo, Elisa; Spoto, Giuseppe; Arduini, Arturo; Pochini, Andrea; Secchi, Andrea; Massera, Chiara; Ugozzoli, Franco","An integrated approach to the study of the recognition of guests containing CH3 and CH2 acidic groups by differently rigidified cone p-tert-butylcalix[4]arene derivativesElectronic supplementary information (ESI) available: experimental conditions used for calorimetric measurements. See http://www.rsc.org/suppdata/nj/b3/b308996g/","New Journal of Chemistry","2004","28","1","56","","10.1039/b308996g","","","0.71069","MoKα","","0.2354","0.0765","","","0.1853","0.198","","","","","","0.832","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050181","11.237","0.005","19.743","0.005","12.286","0.005","90","0.005","113.688","0.005","90","0.005","2496","1.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H70 Cl N O6 -","- C54 H59 Cl0.99 N O6 -","- C108 H118 Cl1.98 N2 O12 -","2","1","","Arena, Giuseppe; Contino, Annalinda; Longo, Elisa; Spoto, Giuseppe; Arduini, Arturo; Pochini, Andrea; Secchi, Andrea; Massera, Chiara; Ugozzoli, Franco","An integrated approach to the study of the recognition of guests containing CH3 and CH2 acidic groups by differently rigidified cone p-tert-butylcalix[4]arene derivativesElectronic supplementary information (ESI) available: experimental conditions used for calorimetric measurements. See http://www.rsc.org/suppdata/nj/b3/b308996g/","New Journal of Chemistry","2004","28","1","56","","10.1039/b308996g","","","0.71069","MoKα","","0.1478","0.0977","","","0.283","0.3275","","","","","","1.116","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7050182","19.892","0.005","19.296","0.005","12.102","0.005","90","0.005","90.69","0.005","90","0.005","4645","3","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C52 H71 N O4 -","- C52 H71 N O4 -","- C208 H284 N4 O16 -","4","1","","Arena, Giuseppe; Contino, Annalinda; Longo, Elisa; Spoto, Giuseppe; Arduini, Arturo; Pochini, Andrea; Secchi, Andrea; Massera, Chiara; Ugozzoli, Franco","An integrated approach to the study of the recognition of guests containing CH3 and CH2 acidic groups by differently rigidified cone p-tert-butylcalix[4]arene derivativesElectronic supplementary information (ESI) available: experimental conditions used for calorimetric measurements. See http://www.rsc.org/suppdata/nj/b3/b308996g/","New Journal of Chemistry","2004","28","1","56","","10.1039/b308996g","","","1.54178","CuKα","","0.0581","0.0505","","","0.1735","0.1818","","","","","","1.472","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050183","13.644","0.003","14.574","0.005","17.816","0.004","90","","106.64","0.012","90","","3394.3","1.6","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 N4 O2 -","- C17.5 H22 N4 O2 -","- C140 H176 N32 O16 -","8","2","","Isabel Iriepa; F. Javier Villasante; Enrique Gálvez; Juana Bellanato; Avelino Martín; Pilar Gómez-Sal","Synthesis, spectroscopic and crystallographic study of some carbamates from an azabicyclic chloroformate and primary heterocyclic amines","New J. Chem.","2004","28","5","618","624","10.1039/b309065e","","","0.71069","MoKα","","0.227","0.0846","","","0.2287","0.3129","","","","","","0.971","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050184","21.8166","0.0004","7.3939","0.0001","21.5138","0.0003","90","","118.016","0.0007","90","","3063.72","0.08","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","Bis(2,6-bis(hydrazonomethyl)pyridine)copper(ii) diperchlorate bis-acetone solvate","Bis[2,6-bis{hydrazonomethyl}pyridine]copper(II) diperchlorate bis-acetone solvate","","- C20 H30 Cl2 Cu N10 O10 -","- C20 H30 Cl2 Cu N10 O10 -","- C80 H120 Cl8 Cu4 N40 O40 -","4","1","","Halcrow, Malcolm A.; Kilner, Colin A.; Wolowska, Joanna; McInnes, Eric J. L.; Bridgeman, Adam J.","Temperature dependence of the electronic ground states of two mononuclear, six-coordinate copper(ii) centres","New Journal of Chemistry","2004","28","2","228","","10.1039/b309071j","","","0.71073","MoKα","","0.0569","0.049","","","0.1317","0.1382","","","","","","1.061","","","","has coordinates,has disorder","301851","2025-08-21","20:32:32",""
"7050185","7.1602","0.0001","13.2144","0.0003","17.3567","0.0003","107.677","0.0012","95.9665","0.0013","103.691","0.0008","1492.58","0.05","300","2","300","2","","","","","","","","6","P -1","-P 1","2","Bis(2,6-bis(oximomethyl)pyridine)copper(ii) diperchlorate bis- acetone solvate","Bis[2,6-bis{oximomethyl}pyridine]copper(II) diperchlorate bis-acetone solvate","","- C20 H26 Cl2 Cu N6 O14 -","- C20 H26 Cl2 Cu N6 O14 -","- C40 H52 Cl4 Cu2 N12 O28 -","2","1","","Halcrow, Malcolm A.; Kilner, Colin A.; Wolowska, Joanna; McInnes, Eric J. L.; Bridgeman, Adam J.","Temperature dependence of the electronic ground states of two mononuclear, six-coordinate copper(ii) centres","New Journal of Chemistry","2004","28","2","228","","10.1039/b309071j","","","0.71073","MoKα","","0.0852","0.0633","","","0.1782","0.1979","","","","","","1.039","","","","has coordinates,has disorder","180055","2020-10-21","18:00:00",""
"7050186","6.9012","0.0002","13.1087","0.0003","17.5759","0.0004","107.264","0.0016","94.6164","0.0016","105.298","0.001","1442.65","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","Bis(2,6-bis(oximomethyl)pyridine)copper(ii) diperchlorate bis- acetone solvate","Bis[2,6-bis{oximomethyl}pyridine]copper(II) diperchlorate bis-acetone solvate","","- C20 H26 Cl2 Cu N6 O14 -","- C20 H26 Cl2 Cu N6 O14 -","- C40 H52 Cl4 Cu2 N12 O28 -","2","1","","Halcrow, Malcolm A.; Kilner, Colin A.; Wolowska, Joanna; McInnes, Eric J. L.; Bridgeman, Adam J.","Temperature dependence of the electronic ground states of two mononuclear, six-coordinate copper(ii) centres","New Journal of Chemistry","2004","28","2","228","","10.1039/b309071j","","","0.71073","MoKα","","0.0457","0.037","","","0.0943","0.1003","","","","","","1.024","","","","has coordinates","301851","2025-08-21","20:32:32",""
"7050187","6.858","0.0002","13.063","0.0003","17.5689","0.0005","107.265","0.0014","94.1119","0.0011","105.66","0.001","1427.36","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Bis(2,6-bis(oximomethyl)pyridine)copper(ii) diperchlorate bis- acetone solvate","Bis[2,6-bis{oximomethyl}pyridine]copper(II) diperchlorate bis-acetone solvate","","- C20 H26 Cl2 Cu N6 O14 -","- C20 H26 Cl2 Cu N6 O14 -","- C40 H52 Cl4 Cu2 N12 O28 -","2","1","","Halcrow, Malcolm A.; Kilner, Colin A.; Wolowska, Joanna; McInnes, Eric J. L.; Bridgeman, Adam J.","Temperature dependence of the electronic ground states of two mononuclear, six-coordinate copper(ii) centres","New Journal of Chemistry","2004","28","2","228","","10.1039/b309071j","","","0.71073","MoKα","","0.0504","0.0393","","","0.1066","0.114","","","","","","1.037","","","","has coordinates","301851","2025-08-21","20:32:32",""
"7050188","11.168","0.003","17.158","0.002","23.129","0.006","90","","96.68","0.02","90","","4401.9","1.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H46 Cl0 N2 O4 P2 Rh -","- C52 H46 N2 O4 P2 Rh -","- C208 H184 N8 O16 P8 Rh4 -","4","1","","Acharyya, Rama; Basuli, Falguni; Rosair, Georgina; Bhattacharya, Samaresh","Synthesis, structure and electrochemical properties of some oxime complexes of rhodium","New Journal of Chemistry","2004","28","1","115","","10.1039/b309412j","","","0.71073","MoKα","","0.12","0.0578","","","0.1113","0.1347","","","","","","1.014","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050189","6.7072","0.0005","16.0387","0.0011","8.1083","0.0005","90","","91.16","0.004","90","","872.07","0.1","295","2","295","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C7 H7 N3 O4 -","- C7 H7 N3 O4 -","- C28 H28 N12 O16 -","4","1","","Graham, Duncan; Kennedy, Alan R.; McHugh, Callum J.; Smith, W. Ewen; David, William I. F.; Shankland, Kenneth; Shankland, Norman","The crystal structures of three primary products from the selective reduction of 2,4,6-trinitrotoluene","New Journal of Chemistry","2004","28","1","161","","10.1039/b309792g","","","0.71073","MoKα","","0.0859","0.0645","","","0.1689","0.1835","","","","","","1.1","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050190","8.0136","0.0003","8.0502","0.0003","14.2752","0.0005","75.097","0.002","74.059","0.002","78.453","0.002","847.35","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H7 N3 O4 -","- C7 H7 N3 O4 -","- C28 H28 N12 O16 -","4","2","","Graham, Duncan; Kennedy, Alan R.; McHugh, Callum J.; Smith, W. Ewen; David, William I. F.; Shankland, Kenneth; Shankland, Norman","The crystal structures of three primary products from the selective reduction of 2,4,6-trinitrotoluene","New Journal of Chemistry","2004","28","1","161","","10.1039/b309792g","","","0.71073","MoKα","","0.0711","0.0611","","","0.1794","0.1852","","","","","","1.122","","","","has coordinates","301851","2025-08-21","20:32:32",""
"7050191","15.098","0.0004","3.9219","0.0001","16.4446","0.0005","90","","116.586","0.002","90","","870.77","0.04","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 N3 O5 -","- C7 H7 N3 O5 -","- C28 H28 N12 O20 -","4","1","","Graham, Duncan; Kennedy, Alan R.; McHugh, Callum J.; Smith, W. Ewen; David, William I. F.; Shankland, Kenneth; Shankland, Norman","The crystal structures of three primary products from the selective reduction of 2,4,6-trinitrotoluene","New Journal of Chemistry","2004","28","1","161","","10.1039/b309792g","","","0.71073","MoKα","","0.0642","0.0417","","","0.1019","0.112","","","","","","1.042","","","","has coordinates","301851","2025-08-21","20:32:32",""
"7050192","18.591","0.002","10.9955","0.0015","21.767","0.003","90","","100.15","0.014","90","","4379.9","1","273","2","273","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H36 O12 -","- C28 H36 O12 -","- C168 H216 O72 -","6","0.75","","Bickley, Jamie; Bonar-Law, Richard; McGrath, Thomas; Singh, Nirmal; Steiner, Alexander","Dirhodium (ii) carboxylate complexes as building blocks. cis-Chelating dicarboxylic acids designed to bridge the dinuclear coreElectronic supplementary information (ESI) available: Tables S1 and S2. See http://www.rsc.org/suppdata/nj/b3/b310008a/","New Journal of Chemistry","2004","28","3","425","","10.1039/b310008a","","","0.71073","MoKα","","0.1291","0.0697","","","0.2529","0.305","","","","","","0.934","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7050193","10.5028","0.0015","12.5327","0.0014","12.1758","0.0015","90","","92.081","0.016","90","","1601.6","0.4","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 O4 S2 -","- C14 H18 O4 S2 -","- C56 H72 O16 S8 -","4","1","","Bickley, Jamie; Bonar-Law, Richard; McGrath, Thomas; Singh, Nirmal; Steiner, Alexander","Dirhodium (ii) carboxylate complexes as building blocks. cis-Chelating dicarboxylic acids designed to bridge the dinuclear coreElectronic supplementary information (ESI) available: Tables S1 and S2. See http://www.rsc.org/suppdata/nj/b3/b310008a/","New Journal of Chemistry","2004","28","3","425","","10.1039/b310008a","","","0.71073","MoKα","","0.0513","0.0351","","","0.0894","0.0959","","","","","","0.993","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050194","6.7348","0.0015","7.0518","0.0015","11.256","0.002","75.3","0.03","73.98","0.03","71.04","0.03","478","0.2","213","2","213","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H10 O6 -","- C10 H10 O6 -","- C20 H20 O12 -","2","1","","Bickley, Jamie; Bonar-Law, Richard; McGrath, Thomas; Singh, Nirmal; Steiner, Alexander","Dirhodium (ii) carboxylate complexes as building blocks. cis-Chelating dicarboxylic acids designed to bridge the dinuclear coreElectronic supplementary information (ESI) available: Tables S1 and S2. See http://www.rsc.org/suppdata/nj/b3/b310008a/","New Journal of Chemistry","2004","28","3","425","","10.1039/b310008a","","","0.71073","MoKα","","0.039","0.0311","","","0.0763","0.079","","","","","","0.956","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050195","19.461","0.003","5.7894","0.0007","32.412","0.006","90","","94.33","0.02","90","","3641.4","1","213","2","213","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 O6 -","- C18 H26 O6 -","- C144 H208 O48 -","8","1","","Bickley, Jamie; Bonar-Law, Richard; McGrath, Thomas; Singh, Nirmal; Steiner, Alexander","Dirhodium (ii) carboxylate complexes as building blocks. cis-Chelating dicarboxylic acids designed to bridge the dinuclear coreElectronic supplementary information (ESI) available: Tables S1 and S2. See http://www.rsc.org/suppdata/nj/b3/b310008a/","New Journal of Chemistry","2004","28","3","425","","10.1039/b310008a","","","0.71073","MoKα","","0.075","0.0535","","","0.1245","0.1393","","","","","","1.058","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050196","8.694","0.002","9.24","0.003","9.899","0.003","110.1","0.03","98.04","0.03","98.76","0.03","722.1","0.4","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 Br2 O6 -","- C12 H12 Br2 O6 -","- C24 H24 Br4 O12 -","2","1","","Bickley, Jamie; Bonar-Law, Richard; McGrath, Thomas; Singh, Nirmal; Steiner, Alexander","Dirhodium (ii) carboxylate complexes as building blocks. cis-Chelating dicarboxylic acids designed to bridge the dinuclear coreElectronic supplementary information (ESI) available: Tables S1 and S2. See http://www.rsc.org/suppdata/nj/b3/b310008a/","New Journal of Chemistry","2004","28","3","425","","10.1039/b310008a","","","0.71073","MoKα","","0.0715","0.058","","","0.1413","0.1481","","","","","","0.962","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7050197","11.234","0.0013","7.4699","0.0011","20.184","0.002","90","","96.541","0.013","90","","1682.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Br2 O6 -","- C14 H16 Br2 O6 -","- C56 H64 Br8 O24 -","4","1","","Bickley, Jamie; Bonar-Law, Richard; McGrath, Thomas; Singh, Nirmal; Steiner, Alexander","Dirhodium (ii) carboxylate complexes as building blocks. cis-Chelating dicarboxylic acids designed to bridge the dinuclear coreElectronic supplementary information (ESI) available: Tables S1 and S2. See http://www.rsc.org/suppdata/nj/b3/b310008a/","New Journal of Chemistry","2004","28","3","425","","10.1039/b310008a","","","0.71073","MoKα","","0.0424","0.0281","","","0.0598","0.0615","","","","","","0.797","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7050198","24.9759","0.0007","24.9758","0.0007","16.2578","0.00029","90","0.0005","90","0.0005","90","0.0005","10141.5","0.4","","","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C20 H30 Br2 N4 O1.75 -","- C20 H30 Br2 N4 O1.75 -","- C320 H480 Br32 N64 O28 -","16","1","","Raphaël Tripier; Stéphanie Develay; Michel Le Baccon; Françoise Chuburu; François Michaud; Henri Handel","Self-assembly route from a bis-aminal derivative to a new cyclam based macropentacycle","New J. Chem.","2004","28","2","173","176","10.1039/b310074j","","","0.71073","MoK-alpha","","0.1022","0.0695","","0.2348","0.1947","","","","1.069","1.129","1.129","","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050199","9.369","0.002","16.409","0.002","16.632","0.002","90","","90","","90","","2556.9","0.7","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H10 Co4 O12 -","- C22 H10 Co4 O12 -","- C88 H40 Co16 O48 -","4","1","","Golovko, Vladimir B.; Hope-Weeks, Louisa J.; Mays, Martin J.; McPartlin, Mary; Sloan, Anna M.; Woods, Anthony D.","Synthesis of cobalt-containing cyclophanes, and the formation of an unprecedented seven-membered cyclic diyneElectronic supplementary information (ESI) available: crystallographic data for complexes 8 and 11. See http://www.rsc.org/suppdata/nj/b3/b310515f/","New Journal of Chemistry","2004","28","4","527","","10.1039/b310515f","","","0.71069","MoKα","","0.0594","0.0439","","","0.0789","0.086","","","","","","1.043","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7050200","9.9757","0.0002","35.2755","0.0008","17.6562","0.0004","90","","106.167","0.009","90","","5967.5","0.4","180","2","180","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C68 H54 Co4 O8 P4 -","- C68 H54 Co4 O8 P4 -","- C272 H216 Co16 O32 P16 -","4","1","","Golovko, Vladimir B.; Hope-Weeks, Louisa J.; Mays, Martin J.; McPartlin, Mary; Sloan, Anna M.; Woods, Anthony D.","Synthesis of cobalt-containing cyclophanes, and the formation of an unprecedented seven-membered cyclic diyneElectronic supplementary information (ESI) available: crystallographic data for complexes 8 and 11. See http://www.rsc.org/suppdata/nj/b3/b310515f/","New Journal of Chemistry","2004","28","4","527","","10.1039/b310515f","","","0.71073","MoKα","","0.0595","0.0458","","0.271","0.0997","","","","1.131","1.148","1.148","","","","","has coordinates,has disorder","180056","2020-10-21","18:00:00",""
"7050201","39.7446","0.0005","15.4562","0.0002","16.7757","0.0003","90","","91.171","0.001","90","","10303.2","0.3","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H32 Co4 O10 P2 -","- C45 H32 Co4 O10 P2 -","- C360 H256 Co32 O80 P16 -","8","1","","Golovko, Vladimir B.; Hope-Weeks, Louisa J.; Mays, Martin J.; McPartlin, Mary; Sloan, Anna M.; Woods, Anthony D.","Synthesis of cobalt-containing cyclophanes, and the formation of an unprecedented seven-membered cyclic diyneElectronic supplementary information (ESI) available: crystallographic data for complexes 8 and 11. See http://www.rsc.org/suppdata/nj/b3/b310515f/","New Journal of Chemistry","2004","28","4","527","","10.1039/b310515f","","","0.71069","MoKα","","0.0842","0.0585","","","0.1882","0.2091","","","","","","1.048","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050202","40.5806","0.0005","11.9801","0.0002","36.1936","0.0005","90","","118.245","0.008","90","","15500.8","1.2","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C79.5 H70 Cl4 Co4 O10 P4 -","- C79.5 H68.5 Cl4 Co4 O10 P4 -","- C636 H548 Cl32 Co32 O80 P32 -","8","1","","Golovko, Vladimir B.; Hope-Weeks, Louisa J.; Mays, Martin J.; McPartlin, Mary; Sloan, Anna M.; Woods, Anthony D.","Synthesis of cobalt-containing cyclophanes, and the formation of an unprecedented seven-membered cyclic diyneElectronic supplementary information (ESI) available: crystallographic data for complexes 8 and 11. See http://www.rsc.org/suppdata/nj/b3/b310515f/","New Journal of Chemistry","2004","28","4","527","","10.1039/b310515f","","","0.71069","MoKα","","0.0817","0.0578","","","0.1521","0.18","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050203","12.465","0.0004","12.9587","0.0005","13.8733","0.0004","69.498","0.002","73.291","0.002","81.816","0.002","2008.22","0.12","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Cl1.5 Co4 O13 S2 -","- C34 H28 Cl1.5 Co4 O13 S2 -","- C68 H56 Cl3 Co8 O26 S4 -","2","1","","Golovko, Vladimir B.; Hope-Weeks, Louisa J.; Mays, Martin J.; McPartlin, Mary; Sloan, Anna M.; Woods, Anthony D.","Synthesis of cobalt-containing cyclophanes, and the formation of an unprecedented seven-membered cyclic diyneElectronic supplementary information (ESI) available: crystallographic data for complexes 8 and 11. See http://www.rsc.org/suppdata/nj/b3/b310515f/","New Journal of Chemistry","2004","28","4","527","","10.1039/b310515f","","","0.71069","MoKα","","0.1009","0.0549","","","0.1278","0.1477","","","","","","1.046","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7050204","11.3551","0.0001","13.8087","0.0002","23.8944","0.0003","73.855","0.002","80.77","0.002","82.12","0.002","3535.32","0.08","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H70 Cl2 Co4 O8 P4 -","- C75 H70 Cl2 Co4 O8 P4 -","- C150 H140 Cl4 Co8 O16 P8 -","2","1","","Golovko, Vladimir B.; Hope-Weeks, Louisa J.; Mays, Martin J.; McPartlin, Mary; Sloan, Anna M.; Woods, Anthony D.","Synthesis of cobalt-containing cyclophanes, and the formation of an unprecedented seven-membered cyclic diyneElectronic supplementary information (ESI) available: crystallographic data for complexes 8 and 11. See http://www.rsc.org/suppdata/nj/b3/b310515f/","New Journal of Chemistry","2004","28","4","527","","10.1039/b310515f","","","0.71069","MoKα","","0.0797","0.0564","","","0.1402","0.1543","","","","","","1.019","","","","has coordinates,has disorder","180056","2020-10-21","18:00:00",""
"7050205","12.48","0.003","12.706","0.003","13.148","0.003","70.68","0.03","77.02","0.03","81.03","0.03","1909.6","0.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H40 Ga I2 N2 -","- C39 H47 Ga I2 N2 -","- C78 H94 Ga2 I4 N4 -","2","1","","Baker, Robert J.; Jones, Cameron; Kloth, Marc; Mills, David P.","The reactivity of gallium(i) and indium(i) halides towards bipyridines, terpyridines, imino-substituted pyridines and bis(imino)acenaphthenes","New Journal of Chemistry","2004","28","2","207","","10.1039/b310592j","","","0.71073","MoKα","","0.0616","0.0512","","","0.1182","0.1252","","","","","","1.028","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050206","28.873","0.006","14.539","0.003","29.261","0.006","90","","101.29","0.03","90","","12046","4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C96 H92 Ga6 I12 N24 O4 -","- C96 H88 Ga6 I12 N24 O4 -","- C384 H352 Ga24 I48 N96 O16 -","4","0.5","","Baker, Robert J.; Jones, Cameron; Kloth, Marc; Mills, David P.","The reactivity of gallium(i) and indium(i) halides towards bipyridines, terpyridines, imino-substituted pyridines and bis(imino)acenaphthenes","New Journal of Chemistry","2004","28","2","207","","10.1039/b310592j","","","0.71073","MoKα","","0.0898","0.0569","","","0.1194","0.1319","","","","","","1.059","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050207","11","0.002","12.525","0.003","21.899","0.004","105.18","0.03","94.44","0.03","99.69","0.03","2846.8","1.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H49 Ga2 I4 N13 O2 -","- C50 H47 Ga2 I4 N13 O2 -","- C100 H94 Ga4 I8 N26 O4 -","2","1","","Baker, Robert J.; Jones, Cameron; Kloth, Marc; Mills, David P.","The reactivity of gallium(i) and indium(i) halides towards bipyridines, terpyridines, imino-substituted pyridines and bis(imino)acenaphthenes","New Journal of Chemistry","2004","28","2","207","","10.1039/b310592j","","","0.71073","MoKα","","0.0926","0.0553","","","0.1264","0.1446","","","","","","1.007","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050208","7.357","0.0015","13.306","0.003","13.759","0.003","99.44","0.03","97.59","0.03","102.53","0.03","1277.2","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 Ga I3 N4 -","- C23 H18 Ga I3 N4 -","- C46 H36 Ga2 I6 N8 -","2","1","","Baker, Robert J.; Jones, Cameron; Kloth, Marc; Mills, David P.","The reactivity of gallium(i) and indium(i) halides towards bipyridines, terpyridines, imino-substituted pyridines and bis(imino)acenaphthenes","New Journal of Chemistry","2004","28","2","207","","10.1039/b310592j","","","0.71073","MoKα","","0.0801","0.045","","","0.0857","0.097","","","","","","1.04","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050209","22.813","0.005","14.364","0.003","17.672","0.004","90","","124.81","0.03","90","","4755","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H44 Ga2 I4 N4 -","- C36 H44 Ga2 I4 N4 -","- C144 H176 Ga8 I16 N16 -","4","0.5","","Baker, Robert J.; Jones, Cameron; Kloth, Marc; Mills, David P.","The reactivity of gallium(i) and indium(i) halides towards bipyridines, terpyridines, imino-substituted pyridines and bis(imino)acenaphthenes","New Journal of Chemistry","2004","28","2","207","","10.1039/b310592j","","","0.71073","MoKα","","0.0445","0.0325","","","0.0696","0.0736","","","","","","1.046","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050210","9.617","0.0019","14.831","0.003","10.14","0.002","90","","107.11","0.03","90","","1382.3","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 Ga2 I4 N4 -","- C20 H28 Ga2 I4 N4 -","- C40 H56 Ga4 I8 N8 -","2","0.5","","Baker, Robert J.; Jones, Cameron; Kloth, Marc; Mills, David P.","The reactivity of gallium(i) and indium(i) halides towards bipyridines, terpyridines, imino-substituted pyridines and bis(imino)acenaphthenes","New Journal of Chemistry","2004","28","2","207","","10.1039/b310592j","","","0.71073","MoKα","","0.0326","0.029","","","0.0669","0.0683","","","","","","1.071","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050211","17.008","0.003","16.621","0.003","17.465","0.004","90","","90","","90","","4937.2","1.7","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H30 Cl3 In N2 O -","- C22 H30 Cl3 In N2 O -","- C176 H240 Cl24 In8 N16 O8 -","8","1","","Baker, Robert J.; Jones, Cameron; Kloth, Marc; Mills, David P.","The reactivity of gallium(i) and indium(i) halides towards bipyridines, terpyridines, imino-substituted pyridines and bis(imino)acenaphthenes","New Journal of Chemistry","2004","28","2","207","","10.1039/b310592j","","","0.71073","MoKα","","0.0795","0.0463","","","0.0884","0.0995","","","","","","1.022","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050212","10.285","0.002","13.001","0.003","16.458","0.003","76.95","0.03","86.76","0.03","81.91","0.03","2121.8","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H43 Ga2 I6 N3 -","- C33 H43 Ga2 I6 N3 -","- C66 H86 Ga4 I12 N6 -","2","1","","Baker, Robert J.; Jones, Cameron; Kloth, Marc; Mills, David P.","The reactivity of gallium(i) and indium(i) halides towards bipyridines, terpyridines, imino-substituted pyridines and bis(imino)acenaphthenes","New Journal of Chemistry","2004","28","2","207","","10.1039/b310592j","","","0.71073","MoKα","","0.0807","0.0655","","","0.1652","0.1757","","","","","","1.083","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050213","21.246","0.004","17.803","0.004","11.048","0.002","90","","90","","90","","4178.8","1.4","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C38 H36 Ga I3 N10 -","- C38 H36 Ga I3 N10 -","- C152 H144 Ga4 I12 N40 -","4","1","","Baker, Robert J.; Jones, Cameron; Kloth, Marc; Mills, David P.","The reactivity of gallium(i) and indium(i) halides towards bipyridines, terpyridines, imino-substituted pyridines and bis(imino)acenaphthenes","New Journal of Chemistry","2004","28","2","207","","10.1039/b310592j","","","0.71073","MoKα","","0.0595","0.0484","","","0.1109","0.1174","","","","","","1.035","","","","has coordinates","301851","2025-08-21","20:32:32",""
"7050214","23.869","0.002","23.869","0.002","6.4684","0.0005","90","","90","","120","","3191.5","0.5","253","2","253","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C21 H12 Br3 N3 O3 -","- C21 H12 Br3 N3 O3 -","- C126 H72 Br18 N18 O18 -","6","0.333333","","Katharina Reichenbächer; Heike I. Süss; Helen Stoeckli-Evans; Silvia Bracco; Piero Sozzani; Edwin Weber; Jürg Hulliger","Modification of channel structures by fluorination","New J. Chem.","2004","28","3","393","397","10.1039/b311028a","","","0.71073","MoKα","","0.0539","0.0343","","","0.056","0.0595","","","","","","0.9","","","","has coordinates","301851","2025-08-21","20:32:32",""
"7050215","5.9681","0.0004","13.6038","0.0012","16.0136","0.0013","111.029","0.009","91.527","0.009","96.39","0.01","1202.89","0.18","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C24.5 H3.5 Cl0.5 F15 N3 O3 -","- C24.502 H3.506 Cl0.498 F15 N3 O3 -","- C49.004 H7.012 Cl0.996 F30 N6 O6 -","2","1","","Katharina Reichenbächer; Heike I. Süss; Helen Stoeckli-Evans; Silvia Bracco; Piero Sozzani; Edwin Weber; Jürg Hulliger","Modification of channel structures by fluorination","New J. Chem.","2004","28","3","393","397","10.1039/b311028a","","","0.71073","MoKα","","0.0612","0.0352","","","0.0824","0.0898","","","","","","0.87","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7050216","5.9555","0.0005","13.5912","0.0012","16.1207","0.0014","111.055","0.01","91.871","0.01","95.776","0.01","1208.2","0.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H5 F15 N3 O3 -","- C25 H5 F15 N3 O3 -","- C50 H10 F30 N6 O6 -","2","1","","Katharina Reichenbächer; Heike I. Süss; Helen Stoeckli-Evans; Silvia Bracco; Piero Sozzani; Edwin Weber; Jürg Hulliger","Modification of channel structures by fluorination","New J. Chem.","2004","28","3","393","397","10.1039/b311028a","","","0.71073","MoKα","","0.0665","0.0382","","","0.0904","0.098","","","","","","0.845","","","","has coordinates","301851","2025-08-21","20:32:32",""
"7050217","6.2648","0.0006","17.8465","0.0017","20.782","0.002","86.114","0.012","84.699","0.012","88.033","0.011","2307.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 Br3 F12 N3 O3 -","- C21 Br3 F12 N3 O3 -","- C84 Br12 F48 N12 O12 -","4","2","","Katharina Reichenbächer; Heike I. Süss; Helen Stoeckli-Evans; Silvia Bracco; Piero Sozzani; Edwin Weber; Jürg Hulliger","Modification of channel structures by fluorination","New J. Chem.","2004","28","3","393","397","10.1039/b311028a","","","0.71073","MoKα","","0.0658","0.0406","","","0.0936","0.1004","","","","","","0.972","","","","has coordinates","301851","2025-08-21","20:32:32",""
"7050218","5.996","0.0005","26.565","0.0015","13.533","0.001","90","","99.315","0.009","90","","2127.2","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H0 F15 N3 O3 -","- C21 F15 N3 O3 -","- C84 F60 N12 O12 -","4","2","","Katharina Reichenbächer; Heike I. Süss; Helen Stoeckli-Evans; Silvia Bracco; Piero Sozzani; Edwin Weber; Jürg Hulliger","Modification of channel structures by fluorination","New J. Chem.","2004","28","3","393","397","10.1039/b311028a","","","0.71073","MoKα","","0.0457","0.0353","","","0.0813","0.085","","","","","","0.94","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050219","9.828","0.002","15.632","0.003","20.084","0.004","90","","90","","90","","3085.5","1.1","180","2","180","2","","","","","","","synthesis as described","6","P n m a","-P 2ac 2n","62","","Hexa(3-thienyl)cyclotriphosphazene","","- C25 H19 Cl3 N3 P3 S6 -","- C12.5 H9 Cl1.5 N1.5 P1.5 S3 -","- C100 H72 Cl12 N12 P12 S24 -","8","1","","Virginie Vicente; Alain Fruchier; Marc Taillefer; Corinne Combes-Chamalet; Ian J. Scowen; Françoise Plénat; Henri-Jean Cristau","Synthesis and structural studies (1H, 13C, 31P NMR and X-ray) of new C-bonded cyclotriphosphazenes with heterocyclic substituents from novel phosphinic acid derivatives","New J. Chem.","2004","28","3","418","424","10.1039/b311046j","","","0.71073","MoKα","","0.0479","0.0407","","","0.1031","0.1078","","","","","","1.051","","","","has coordinates,has disorder","180056","2020-10-21","18:00:00",""
"7050220","11.277","0.0016","9.1335","0.001","13.561","0.002","90","","101.044","0.017","90","","1370.9","0.3","160","2","160","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Hexa-2-thienylcyclotrphosphazene","","- C24 H18 N3 P3 S6 -","- C24 H18 N3 P3 S6 -","- C48 H36 N6 P6 S12 -","2","1","","Virginie Vicente; Alain Fruchier; Marc Taillefer; Corinne Combes-Chamalet; Ian J. Scowen; Françoise Plénat; Henri-Jean Cristau","Synthesis and structural studies (1H, 13C, 31P NMR and X-ray) of new C-bonded cyclotriphosphazenes with heterocyclic substituents from novel phosphinic acid derivatives","New J. Chem.","2004","28","3","418","424","10.1039/b311046j","","","0.71073","MoKα","","0.0284","0.0268","","","0.0712","0.0722","","","","","","1.045","","","","has coordinates,has disorder","180056","2020-10-21","18:00:00",""
"7050221","19.42","0.002","15.7094","0.0016","20.428","0.004","90","","96.673","0.007","90","","6189.9","1.5","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C25 H13 Cl3 N3 P3 S6 -","- C25 H13 Cl3 N3 P3 S6 -","- C200 H104 Cl24 N24 P24 S48 -","8","1","","Virginie Vicente; Alain Fruchier; Marc Taillefer; Corinne Combes-Chamalet; Ian J. Scowen; Françoise Plénat; Henri-Jean Cristau","Synthesis and structural studies (1H, 13C, 31P NMR and X-ray) of new C-bonded cyclotriphosphazenes with heterocyclic substituents from novel phosphinic acid derivatives","New J. Chem.","2004","28","3","418","424","10.1039/b311046j","","","0.71073","MoKα","","0.122","0.0593","","","0.1099","0.1338","","","","","","0.994","","","","has coordinates,has disorder","301851","2025-08-21","20:32:32",""
"7050222","12.487","0.004","17.799","0.005","20.803","0.006","113.601","0.004","91.155","0.005","91.297","0.005","4234","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","Yb[6]PyNO","","","- C67 H95 N5 O49 S6 Yb2 -","- C67 H55 N5 O49 S6 Yb2 -","- C134 H110 N10 O98 S12 Yb4 -","2","1","","Atwood, Jerry L.; Dalgarno, Scott J.; Hardie, Michaele J.; Raston, Colin L.","Hydrogen-bonded arrays of a ytterbium(iii) p-sulfonatocalix[6]arene complex","New Journal of Chemistry","2004","28","2","326","","10.1039/b311288h","","","0.71073","MoKα","","0.0659","0.044","","","0.0999","0.1089","","","","","","1.028","","","","has coordinates,has disorder","180056","2020-10-21","18:00:00",""
"7050223","10.7371","0.0017","14.083","0.003","17.183","0.003","90","","90","","90","","2598.3","0.8","293","2","293","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C20 H20 Cl4 F6 Fe N4 O2 P -","- C20 H18 Cl4 F6 Fe N4 O2 P -","- C80 H72 Cl16 F24 Fe4 N16 O8 P4 -","4","0.5","","Sébastien Floquet; M. Carmen Muñoz; Eric Rivière; René Clément; Jean-Paul Audière; Marie-Laure Boillot","Structural effects on the magnetic properties of ferric complexes in molecular materials or a lamellar CdPS3 host matrix","New J. Chem.","2004","28","4","535","541","10.1039/b311371j","","","0.71073","MoKα","","0.2513","0.0816","","","0.1574","0.2337","","","","","","0.933","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050224","10.4143","0.0019","13.959","0.003","16.933","0.005","90","","90","","90","","2461.6","1","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C20 H20 Cl5 Fe N4 O6 -","- C20 H20 Cl5 Fe N4 O6 -","- C80 H80 Cl20 Fe4 N16 O24 -","4","0.5","","Sébastien Floquet; M. Carmen Muñoz; Eric Rivière; René Clément; Jean-Paul Audière; Marie-Laure Boillot","Structural effects on the magnetic properties of ferric complexes in molecular materials or a lamellar CdPS3 host matrix","New J. Chem.","2004","28","4","535","541","10.1039/b311371j","","","0.71073","MoKα","","0.0737","0.0458","","","0.113","0.1248","","","","","","1.018","","","","has coordinates","301851","2025-08-21","20:32:32",""
"7050225","11.837","0.004","17.134","0.005","13.764","0.005","90","","113.08","0.02","90","","2568.1","1.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 F6 Fe N4 O4.5 P -","- C22 F6 Fe N4 O4.5 P -","- C88 F24 Fe4 N16 O18 P4 -","4","1","","Sébastien Floquet; M. Carmen Muñoz; Eric Rivière; René Clément; Jean-Paul Audière; Marie-Laure Boillot","Structural effects on the magnetic properties of ferric complexes in molecular materials or a lamellar CdPS3 host matrix","New J. Chem.","2004","28","4","535","541","10.1039/b311371j","","","0.71073","MoKα","","0.2157","0.0954","","","0.2205","0.2952","","","","","","0.995","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050226","12.934","0.0004","16.76","0.0005","24.609","0.0009","89.859","0.0015","89.597","0.0017","83.111","0.0017","5295.9","0.3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H42 Mn N5 O13 S -","- C52 H36.5 Mn N4.5 O11.5 S0.5 -","- C208 H146 Mn4 N18 O46 S2 -","4","2","","Shmilovits, Michaela; Vinodu, Mikki; Goldberg, Israel","Self-assembly patterns of porphyrins in crystals. Structures of hydrogen-bonding and coordination polymers of manganese tetra(carboxyphenyl)porphyrin","New Journal of Chemistry","2004","28","2","223","","10.1039/b312183f","","","0.71073","MoKα","","0.1329","0.0691","","","0.1652","0.1864","","","","","","1.045","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050227","13.691","0.0005","8.744","0.0003","20.593","0.0006","90","","91.695","0.002","90","","2464.19","0.14","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H39.1 Mn N5 O11.55 -","- C48 H24 Mn N4 O10.55 -","- C96 H48 Mn2 N8 O21.1 -","2","0.5","","Shmilovits, Michaela; Vinodu, Mikki; Goldberg, Israel","Self-assembly patterns of porphyrins in crystals. Structures of hydrogen-bonding and coordination polymers of manganese tetra(carboxyphenyl)porphyrin","New Journal of Chemistry","2004","28","2","223","","10.1039/b312183f","","","0.71073","MoKα","","0.0796","0.0621","","","0.1773","0.1909","","","","","","1.046","","","","has coordinates,has disorder","180056","2020-10-21","18:00:00",""
"7050228","7.893","0.002","7.901","0.002","15.805","0.005","85.564","0.005","84.968","0.005","62.449","0.005","869.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 N2 O2 Se2 -","- C18 H16 N2 O2 Se2 -","- C36 H32 N4 O4 Se4 -","2","1","","Kumar, Sangit; Kandasamy, Karuppasamy; Singh, Harkesh B.; Butcher, Ray J.","Synthesis of organochalcogens stabilized by intramolecular non-bonded interactions of sterically unhindered 2-phenyl-2-oxazolineElectronic supplementary information (ESI) available: 77Se NMR spectrum of 14, molecular structure of 16 and packing diagram of 15. See http://www.rsc.org/suppdata/nj/b3/b312364b/","New Journal of Chemistry","2004","28","5","640","","10.1039/b312364b","","","0.71073","MoKα","","0.0904","0.0708","","","0.1774","0.187","","","","","","0.973","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050229","7.7728","0.0007","7.7691","0.0006","15.5568","0.0013","85.376","0.005","85.84","0.007","63.251","0.007","835.48","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 N2 O2 S2 -","- C18 H16 N2 O2 S2 -","- C36 H32 N4 O4 S4 -","2","1","","Kumar, Sangit; Kandasamy, Karuppasamy; Singh, Harkesh B.; Butcher, Ray J.","Synthesis of organochalcogens stabilized by intramolecular non-bonded interactions of sterically unhindered 2-phenyl-2-oxazolineElectronic supplementary information (ESI) available: 77Se NMR spectrum of 14, molecular structure of 16 and packing diagram of 15. See http://www.rsc.org/suppdata/nj/b3/b312364b/","New Journal of Chemistry","2004","28","5","640","","10.1039/b312364b","","","1.54178","CuKα","","0.0323","0.0318","","","0.0825","0.0827","","","","","","1.18","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050230","5.6512","0.001","7.9702","0.0014","30.441","0.005","90","","90","","90","","1371.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O S -","- C16 H15 N O S -","- C64 H60 N4 O4 S4 -","4","1","","Kumar, Sangit; Kandasamy, Karuppasamy; Singh, Harkesh B.; Butcher, Ray J.","Synthesis of organochalcogens stabilized by intramolecular non-bonded interactions of sterically unhindered 2-phenyl-2-oxazolineElectronic supplementary information (ESI) available: 77Se NMR spectrum of 14, molecular structure of 16 and packing diagram of 15. See http://www.rsc.org/suppdata/nj/b3/b312364b/","New Journal of Chemistry","2004","28","5","640","","10.1039/b312364b","","","0.71073","MoKα","","0.0314","0.0306","","","0.0807","0.0819","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050231","7.3118","0.0006","15.2642","0.0012","17.2559","0.0014","90","","90","","90","","1925.9","0.3","93","2","93","2","","","","","","","","6","P b n a","-P 2ac 2b","60","","","","- C9 H8 Br N O Se -","- C9 H8 Br N O Se -","- C72 H64 Br8 N8 O8 Se8 -","8","1","","Kumar, Sangit; Kandasamy, Karuppasamy; Singh, Harkesh B.; Butcher, Ray J.","Synthesis of organochalcogens stabilized by intramolecular non-bonded interactions of sterically unhindered 2-phenyl-2-oxazolineElectronic supplementary information (ESI) available: 77Se NMR spectrum of 14, molecular structure of 16 and packing diagram of 15. See http://www.rsc.org/suppdata/nj/b3/b312364b/","New Journal of Chemistry","2004","28","5","640","","10.1039/b312364b","","","0.71073","MoKα","","0.0605","0.0282","","","0.0515","0.0592","","","","","","0.967","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050232","15.416","0.003","17.917","0.003","7.8119","0.0012","90","","102.816","0.004","90","","2104","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 I N O Se -","- C9 H8 I N O Se -","- C72 H64 I8 N8 O8 Se8 -","8","2","","Kumar, Sangit; Kandasamy, Karuppasamy; Singh, Harkesh B.; Butcher, Ray J.","Synthesis of organochalcogens stabilized by intramolecular non-bonded interactions of sterically unhindered 2-phenyl-2-oxazoline","New Journal of Chemistry","2004","28","5","640","","10.1039/b312364b","","","0.71073","MoKα","","0.1363","0.0342","","","0.037","0.0456","","","","","","0.783","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050233","12.0601","0.0008","13.733","0.001","20.595","0.002","105.244","0.006","91.599","0.007","108.298","0.006","3101.8","0.5","173","","173","","","","","","","","Synthetic","4","P -1","-P 1","2","lid-shaped heptatitanate","(μ2-1,3-propanediolato(O,O'))-bis(μ4-oxo)-bis(μ3-oxo)-octakis(μ2-ethoxo)-decakis(ethoxy)-hepta-titanium","","- C39 H96 O24 Ti7 -","- C39 H96 O24 Ti7 -","- C78 H192 O48 Ti14 -","2","1","","Frédérique Biechel; Julien Dubuc; Marc Henry","General principles driving the chemical reactivity of titanium(IV) alkoxides","New J. Chem.","2004","28","6","764","769","10.1039/b312486j","","","0.71073","Mo-Kα","","0.148","0.051","","0.171","0.074","","","","3.45","1.39","1.39","","","","","has coordinates","301851","2025-08-21","20:32:32",""
"7050234","9.5168","0.0003","13.4861","0.0007","17.8842","0.0009","99.008","0.009","90.923","0.009","105.676","0.009","2178.6","0.2","173","","173","","","","","","","","Synthetic","4","P -1","-P 1","2","tentacular tetratitanate","(μ4-2,2-bis(hydroxymethyl)-1,3-propanediolato(O,O',O'',O'''))-tetrakis(μ2-ethoxo)-octakis(ethoxy)-tetra-titanium","","- C29 H68 O16 Ti4 -","- C29 H68 O16 Ti4 -","- C58 H136 O32 Ti8 -","2","1","","Frédérique Biechel; Julien Dubuc; Marc Henry","General principles driving the chemical reactivity of titanium(IV) alkoxides","New J. Chem.","2004","28","6","764","769","10.1039/b312486j","","","0.71073","Mo-Kα","","0.103","0.053","","0.119","","0.08","","","2.265","","","1.518","","","","has coordinates","301851","2025-08-21","20:32:32",""
"7050235","11.17","0.004","11.937","0.004","16.536","0.005","74.2","0.03","80.21","0.04","62.56","0.02","1880.3","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H39 Cl N3 O10 Re -","- C33 H39 Cl N3 O10 Re -","- C66 H78 Cl2 N6 O20 Re2 -","2","1","","Nail M. Shavaleev; Andrea Barbieri; Zöe R. Bell; Michael D. Ward; Francesco Barigelletti","New ligands in the 2,2'-dipyridylamine series and their Re(I) complexes; synthesis, structures and luminescence properties","New J. Chem.","2004","28","3","398","405","10.1039/b312647a","","","0.71073","MoKα","","0.0472","0.0371","","","0.0716","0.0743","","","","","","0.975","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050236","12.1864","0.0013","13.9338","0.0015","14.076","0.002","61.504","0.012","85.83","0.008","79.965","0.009","2068.3","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H15 Cl N3 O3 Re -","- C23 H15 Cl N3 O3 Re -","- C92 H60 Cl4 N12 O12 Re4 -","4","2","","Nail M. Shavaleev; Andrea Barbieri; Zöe R. Bell; Michael D. Ward; Francesco Barigelletti","New ligands in the 2,2'-dipyridylamine series and their Re(I) complexes; synthesis, structures and luminescence properties","New J. Chem.","2004","28","3","398","405","10.1039/b312647a","","","0.71073","MoKα","","0.0322","0.0259","","","0.0542","0.0561","","","","","","1.042","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050237","10.975","0.002","13.661","0.002","14.578","0.003","107.544","0.015","111.036","0.013","102.713","0.017","1808","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H12 Cl N4 O3 Re -","- C18 H12 Cl N4 O3 Re -","- C72 H48 Cl4 N16 O12 Re4 -","4","2","","Nail M. Shavaleev; Andrea Barbieri; Zöe R. Bell; Michael D. Ward; Francesco Barigelletti","New ligands in the 2,2'-dipyridylamine series and their Re(I) complexes; synthesis, structures and luminescence properties","New J. Chem.","2004","28","3","398","405","10.1039/b312647a","","","0.71073","MoKα","","0.046","0.0322","","","0.0607","0.065","","","","","","0.999","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050238","11.125","0.004","14.259","0.004","14.454","0.006","98.149","0.015","111.39","0.02","112.669","0.015","1860.6","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H12 Cl N4 O3 Re -","- C18 H12 Cl N4 O3 Re -","- C72 H48 Cl4 N16 O12 Re4 -","4","2","","Nail M. Shavaleev; Andrea Barbieri; Zöe R. Bell; Michael D. Ward; Francesco Barigelletti","New ligands in the 2,2'-dipyridylamine series and their Re(I) complexes; synthesis, structures and luminescence properties","New J. Chem.","2004","28","3","398","405","10.1039/b312647a","","","0.71073","MoKα","","0.0702","0.0481","","","0.1067","0.1146","","","","","","0.951","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050239","9.1998","0.0015","21.486","0.004","21.451","0.004","90","","93.7","0.004","90","","4231.3","1.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 Cl N4 O3 Re -","- C21 H18 Cl N4 O3 Re -","- C168 H144 Cl8 N32 O24 Re8 -","8","2","","Nail M. Shavaleev; Andrea Barbieri; Zöe R. Bell; Michael D. Ward; Francesco Barigelletti","New ligands in the 2,2'-dipyridylamine series and their Re(I) complexes; synthesis, structures and luminescence properties","New J. Chem.","2004","28","3","398","405","10.1039/b312647a","","","0.71073","MoKα","","0.0443","0.0274","","","0.0494","0.0534","","","","","","1.016","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050240","10.1741","0.0008","10.6139","0.0009","11.3542","0.0009","97.425","0.001","90.136","0.001","110.437","0.001","1137.81","0.16","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H28 N2 -","- C32 H28 N2 -","- C64 H56 N4 -","2","1","","Mateo Alajarín; Angel Vidal; María-Mar Ortín; Delia Bautista","Persistent radical effect in the intramolecular addition of benzylic radicals onto ketenimines: selective cross-coupling of α-(indol-2-yl)benzyl radicals with the 1-cyano-1-methylethyl radical","New J. Chem.","2004","28","5","570","577","10.1039/b312930f","","","0.71073","MoKα","","0.0442","0.0402","","","0.1033","0.1065","","","","","","1.021","","","","has coordinates","301851","2025-08-21","20:32:32",""
"7050241","7.646","0.001","21.303","0.002","12.505","0.001","90","","104.87","0.01","90","","1968.6","0.4","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N2 -","- C26 H24 N2 -","- C104 H96 N8 -","4","1","","Mateo Alajarín; Angel Vidal; María-Mar Ortín; Delia Bautista","Persistent radical effect in the intramolecular addition of benzylic radicals onto ketenimines: selective cross-coupling of α-(indol-2-yl)benzyl radicals with the 1-cyano-1-methylethyl radical","New J. Chem.","2004","28","5","570","577","10.1039/b312930f","","","0.71073","MoKα","","0.0748","0.04","","0.0882","0.0804","","","","0.858","1.01","1.01","","","","","has coordinates","301851","2025-08-21","20:32:32",""
"7050242","18.3759","0.0004","25.4454","0.0008","8.74","0.0002","90","","97.257","0.002","90","","4053.93","0.18","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,7-bis-(3-hydroxy-3,3-diphenyl-prop-1-ynyl)-fluoren-9-one pyridine solvate","","- C53 H38 N2 O3 -","- C53 H38 N2 O3 -","- C212 H152 N8 O12 -","4","1","","Scott, Janet L.; Yamada, Tomohiko; Tanaka, Koichi","Guest specific solid-state fluorescence rationalised by reference to solid-state structures and specific intermolecular interactions","New Journal of Chemistry","2004","28","4","447","","10.1039/b312931d","","","0.71073","MoKα","","0.1746","0.0687","","","0.1377","0.1723","","","","","","1.028","","","","has coordinates","301851","2025-08-21","20:32:32",""
"7050243","16.9301","0.0004","8.5045","0.0002","25.5885","0.0006","90","","92.569","0.001","90","","3680.58","0.15","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,7-bis-(3-hydroxy-3,3-diphenyl-prop-1-ynyl)-fluoren-9-one 3-acetylpyridine solvate","","- C50 H35 N O4 -","- C50 H35 N O4 -","- C200 H140 N4 O16 -","4","1","","Scott, Janet L.; Yamada, Tomohiko; Tanaka, Koichi","Guest specific solid-state fluorescence rationalised by reference to solid-state structures and specific intermolecular interactions","New Journal of Chemistry","2004","28","4","447","","10.1039/b312931d","","","0.71073","MoKα","","0.1821","0.0606","","","0.0974","0.1266","","","","","","0.962","","","","has coordinates","301851","2025-08-21","20:32:32",""
"7050246","9.3614","0.0012","9.8737","0.0012","24.449","0.004","90","","90.81","0.03","90","","2259.6","0.5","150","","150","","","","","","","","see text","7","P 1 21 1","P 2yb","4","","","","- C38 H60 Cl2 N8 O8 Ru S2 -","- C38 H60 Cl2 N8 O8 Ru S2 -","- C76 H120 Cl4 N16 O16 Ru2 S4 -","2","1","","Hotze, Anna C. G.; Kooijman, Huub; Spek, Anthony L.; Haasnoot, Jaap G.; Reedijk, Jan","Synthesis and characterization of ruthenium(ii) complexes with the new ligand 2-phenylazopyridine-5-sulfonic acid (Hsazpy): in search for new anticancer agents","New Journal of Chemistry","2004","28","5","565","","10.1039/b313746e","","x-ray","0.71073","MoKα","","0.0706","0.0577","","","0.1253","0.1348","","","","","","1.057","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050247","8.043","0.0003","11.427","0.0004","10.502","0.0005","90","","108.089","0.0017","90","","917.51","0.06","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","amidinium (2-hydroxyethoxy)acetate","","- C6 H14 N2 O4 -","- C6 H14 N2 O4 -","- C24 H56 N8 O16 -","4","1","","Ferretti, Valeria; Bertolasi, Valerio; Pretto, Loretta","Supramolecular aggregation by means of charge-assisted hydrogen bonds in acid-base adducts containing amidinium cations","New Journal of Chemistry","2004","28","5","646","","10.1039/b314143h","","","0.7107","MoKα","","0.0885","0.0476","","","0.1077","0.1388","","","","","","1.123","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050248","10.429","0.0004","7.727","0.0003","11.884","0.0006","90","","101.789","0.0014","90","","937.47","0.07","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","amidinium (2-hydroxyethoxy)acetate","","- C6 H14 N2 O4 -","- C6 H14 N2 O4 -","- C24 H56 N8 O16 -","4","1","","Ferretti, Valeria; Bertolasi, Valerio; Pretto, Loretta","Supramolecular aggregation by means of charge-assisted hydrogen bonds in acid-base adducts containing amidinium cations","New Journal of Chemistry","2004","28","5","646","","10.1039/b314143h","","","0.7107","MoKα","","0.0924","0.0465","","","0.1042","0.1343","","","","","","1.084","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050249","10.0507","0.0004","9.2132","0.0005","7.7953","0.0006","90","","90","","90","","721.84","0.07","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Amidinium acetate","","- C4 H10 N2 O2 -","- C4 H10 N2 O2 -","- C16 H40 N8 O8 -","4","0.5","","Ferretti, Valeria; Bertolasi, Valerio; Pretto, Loretta","Supramolecular aggregation by means of charge-assisted hydrogen bonds in acid-base adducts containing amidinium cations","New Journal of Chemistry","2004","28","5","646","","10.1039/b314143h","","","0.7107","MoKα","","0.0745","0.0516","","","0.1486","0.171","","","","","","1.02","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050250","9.9117","0.0002","14.1651","0.0003","18.1568","0.0005","90","","90","","90","","2549.22","0.1","203","2","203","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2,3-bis-fluoren-9-ylidene-succinic acid acetone solvate (1:1)","2,3-bis-fluoren-9-ylidene-succinic acid acetone solvate (1:1)","","- C33 H24 O5 -","- C33 H24 O5 -","- C132 H96 O20 -","4","1","","Tanaka, Koichi; Iwamoto, Toshimasa; Caira, Mino R.","Conglomerate and racemate formation of 2,3-bisfluoren-9-ylidenesuccinic acid by inclusion complexation with achiral guest molecules","New Journal of Chemistry","2004","28","3","329","","10.1039/b314192f","","","0.71073","MoKα","","0.0944","0.0545","","","0.122","0.1392","","","","","","1.03","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050251","15.8893","0.0003","9.7361","0.0002","13.328","0.0002","90","","90","","90","","2061.84","0.07","203","2","203","2","","","","","","","","3","P b c n","-P 2n 2ab","60","2,3-bis-fluoren-9-ylidene-succinic acid","2,3-bis-fluoren-9-ylidene-succinic acid","","- C30 H18 O4 -","- C30 H18 O4 -","- C120 H72 O16 -","4","0.5","","Tanaka, Koichi; Iwamoto, Toshimasa; Caira, Mino R.","Conglomerate and racemate formation of 2,3-bisfluoren-9-ylidenesuccinic acid by inclusion complexation with achiral guest molecules","New Journal of Chemistry","2004","28","3","329","","10.1039/b314192f","","","0.71073","MoKα","","0.0518","0.0376","","","0.089","0.0949","","","","","","1.043","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050252","12.173","0.0001","12.3379","0.0002","17.7792","0.0002","90","","94.282","0.001","90","","2662.79","0.06","203","2","203","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,3-bis-fluoren-9-ylidene-succinic acid ethyl acetate solvate (1:1)","2,3-bis-fluoren-9-ylidene-succinic acid ethyl acetate solvate (1:1)","","- C34 H26 O6 -","- C34 H26 O6 -","- C136 H104 O24 -","4","1","","Tanaka, Koichi; Iwamoto, Toshimasa; Caira, Mino R.","Conglomerate and racemate formation of 2,3-bisfluoren-9-ylidenesuccinic acid by inclusion complexation with achiral guest molecules","New Journal of Chemistry","2004","28","3","329","","10.1039/b314192f","","","0.71073","MoKα","","0.06","0.039","","","0.0897","0.0978","","","","","","1.037","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050253","33.77","0.04","8.9","0.014","21.83","0.03","90","","128.805","0.01","90","","5113","12","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H18 La N6 O14.5 -","- C19 H11 La N6 O14.5 -","- C152 H88 La8 N48 O116 -","8","1","","Drew, Michael G. B.; Hill, Clement; Hudson, Michael J.; Iveson, Peter B.; Madic, Charles; Vaillant, Ludovic; Youngs, Tristan G. A.","Separation of lanthanides and actinides(iii) using tridentate benzimidazole, benzoxazole and benzothiazole ligands","New Journal of Chemistry","2004","28","4","462","","10.1039/b314321j","","","0.71073","MoKα","","0.1242","0.0784","","","0.2119","0.2361","","","","","","1.069","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050254","9.094","0.013","9.561","0.013","15.038","0.017","98.736","0.01","100.343","0.01","93.335","0.01","1266","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 N7 Nd O11 -","- C21 H14 N7 Nd O11 -","- C42 H28 N14 Nd2 O22 -","2","1","","Drew, Michael G. B.; Hill, Clement; Hudson, Michael J.; Iveson, Peter B.; Madic, Charles; Vaillant, Ludovic; Youngs, Tristan G. A.","Separation of lanthanides and actinides(iii) using tridentate benzimidazole, benzoxazole and benzothiazole ligands","New Journal of Chemistry","2004","28","4","462","","10.1039/b314321j","","","0.71073","MoKα","","0.1796","0.0851","","","0.2113","0.2579","","","","","","0.977","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050255","8.769","0.012","9.483","0.012","15.525","0.017","99.735","0.01","98.239","0.01","93.805","0.01","1254","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 N7 O11 Pr -","- C21 H14 N7 O11 Pr -","- C42 H28 N14 O22 Pr2 -","2","1","","Drew, Michael G. B.; Hill, Clement; Hudson, Michael J.; Iveson, Peter B.; Madic, Charles; Vaillant, Ludovic; Youngs, Tristan G. A.","Separation of lanthanides and actinides(iii) using tridentate benzimidazole, benzoxazole and benzothiazole ligands","New Journal of Chemistry","2004","28","4","462","","10.1039/b314321j","","","0.71073","MoKα","","0.0531","0.0458","","","0.1487","0.1644","","","","","","0.961","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050256","8.618","0.009","9.458","0.012","15.445","0.017","100.457","0.01","97.727","0.01","94.181","0.01","1221","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 Er N7 O11 -","- C21 H14 Er N7 O11 -","- C42 H28 Er2 N14 O22 -","2","1","","Drew, Michael G. B.; Hill, Clement; Hudson, Michael J.; Iveson, Peter B.; Madic, Charles; Vaillant, Ludovic; Youngs, Tristan G. A.","Separation of lanthanides and actinides(iii) using tridentate benzimidazole, benzoxazole and benzothiazole ligands","New Journal of Chemistry","2004","28","4","462","","10.1039/b314321j","","","0.71073","MoKα","","0.0577","0.0454","","","0.1281","0.1392","","","","","","0.966","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050257","10.533","0.014","10.68","0.014","17.12","0.02","86.069","0.01","79.225","0.01","82.233","0.01","1873","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H24 Eu N9 O13 -","- C39 H22 Eu N9 O13 -","- C78 H44 Eu2 N18 O26 -","2","1","","Drew, Michael G. B.; Hill, Clement; Hudson, Michael J.; Iveson, Peter B.; Madic, Charles; Vaillant, Ludovic; Youngs, Tristan G. A.","Separation of lanthanides and actinides(iii) using tridentate benzimidazole, benzoxazole and benzothiazole ligands","New Journal of Chemistry","2004","28","4","462","","10.1039/b314321j","","","0.71073","MoKα","","0.1679","0.1076","","","0.3053","0.3331","","","","","","1.086","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050258","10.527","0.014","10.643","0.014","17.09","0.02","86.191","0.01","79.141","0.01","82.187","0.01","1861","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H24 Gd N9 O13 -","- C39 H22 Gd N9 O13 -","- C78 H44 Gd2 N18 O26 -","2","1","","Drew, Michael G. B.; Hill, Clement; Hudson, Michael J.; Iveson, Peter B.; Madic, Charles; Vaillant, Ludovic; Youngs, Tristan G. A.","Separation of lanthanides and actinides(iii) using tridentate benzimidazole, benzoxazole and benzothiazole ligands","New Journal of Chemistry","2004","28","4","462","","10.1039/b314321j","","","0.71073","MoKα","","0.0972","0.0706","","","0.1961","0.2218","","","","","","0.94","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050259","7.536","0.002","12.597","0.003","14.629","0.004","90","","99.77","0.02","90","","1368.6","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Cu(Medpt)(N3)](ClO4)","","","- C7 H19 Cl Cu N6 O4 -","- C7 H19 Cl Cu N6 O4 -","- C28 H76 Cl4 Cu4 N24 O16 -","4","1","","Albert Escuer; Mercè Font-Bardía; Salah S. Massoud; Franz A. Mautner; Evaristo Peñalba; Xavier Solans; Ramon Vicente","Three new dinuclear copper(II) complexes with [Cu(μ1,3-N3)2Cu]2+ and [Cu(μ1,1-N3)2Cu]2+ asymmetrical cores: syntheses, structures and magnetic behaviour","New J. Chem.","2004","28","6","681","686","10.1039/b314526c","","","0.71069","MoKα","","0.0508","0.0387","","0.1014","0.0916","","","","1.08","1.099","1.099","","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050260","8.524","0.006","8.78","0.004","11.32","0.006","71.79","0.05","68.88","0.06","63.2","0.05","693.9","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H30 Cl2 Cu2 N12 O8 -","- C10 H30 Cl2 Cu2 N12 O8 -","- C10 H30 Cl2 Cu2 N12 O8 -","1","0.5","","Albert Escuer; Mercè Font-Bardía; Salah S. Massoud; Franz A. Mautner; Evaristo Peñalba; Xavier Solans; Ramon Vicente","Three new dinuclear copper(II) complexes with [Cu(μ1,3-N3)2Cu]2+ and [Cu(μ1,1-N3)2Cu]2+ asymmetrical cores: syntheses, structures and magnetic behaviour","New J. Chem.","2004","28","6","681","686","10.1039/b314526c","","","0.71069","MoKα","","0.0788","0.0654","","0.1907","0.1587","","","","1.076","1.089","1.089","","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050261","23.638","0.002","11.011","0.002","13.924","0.002","90","","104.65","0.02","90","","3506.3","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H50 Cl2 Cu2 N12 O8 -","- C20 H50 Cl2 Cu2 N12 O8 -","- C80 H200 Cl8 Cu8 N48 O32 -","4","0.5","","Albert Escuer; Mercè Font-Bardía; Salah S. Massoud; Franz A. Mautner; Evaristo Peñalba; Xavier Solans; Ramon Vicente","Three new dinuclear copper(II) complexes with [Cu(μ1,3-N3)2Cu]2+ and [Cu(μ1,1-N3)2Cu]2+ asymmetrical cores: syntheses, structures and magnetic behaviour","New J. Chem.","2004","28","6","681","686","10.1039/b314526c","","","0.71069","MoKα","","0.0587","0.0455","","0.2011","0.1186","","","","0.915","0.912","0.912","","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050268","14.6951","0.0012","14.6951","0.0012","12.813","0.002","90","","90","","120","","2396.2","0.5","120","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","catena-(octakis(μ ~3~-hydroxo)-tris((μ ~2~-oxalato-O,O') -(piperazine-N,N'))-hepta-nickel)","","- C18 H38 N6 Ni7 O20 -","- C18 H38 N6 Ni7 O20 -","- C54 H114 N18 Ni21 O60 -","3","0.166667","","Keene, Tony D.; Hursthouse, Michael B.; Price, Daniel J.","Ferromagnetic coupling in a heptanuclear nickel cluster with a vertex-shared dicubane structure","New Journal of Chemistry","2004","28","5","558","","10.1039/b315323a","","","0.71073","MoKα","","0.1032","0.0575","","","0.1164","0.1318","","","","","","1.033","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050269","7.4613","0.0003","8.9753","0.0004","17.5018","0.0009","90","","90","","90","","1172.05","0.09","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1:1 co-crystal of urea:phosphoric acid","","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","","Andrew Parkin; Suzanne M. Harte; Andrés E. Goeta; Chick C. Wilson","Imaging proton migration from X-rays and neutrons","New J. Chem.","2004","28","6","718","721","10.1039/b315515c","","","0.71073","MoKα","","0.03","0.0274","","","0.0781","0.0807","","","","","","1.085","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050270","7.4667","0.0003","8.9827","0.0003","17.5438","0.0006","90","","90","","90","","1176.68","0.07","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1:1 co-crystal of urea:phosphoric acid","","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","","Andrew Parkin; Suzanne M. Harte; Andrés E. Goeta; Chick C. Wilson","Imaging proton migration from X-rays and neutrons","New J. Chem.","2004","28","6","718","721","10.1039/b315515c","","","0.71073","MoKα","","0.0306","0.0277","","","0.0797","0.0829","","","","","","1.078","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050271","23.052","0.007","8.9826","0.0008","12.684","0.003","90","","107.504","0.012","90","","2504.8","1","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H26 Mn N2 O4 -","- C30 H26 Mn N2 O4 -","- C120 H104 Mn4 N8 O16 -","4","1","","Pradeep, Chullikkattil P.; Htwe, Tin; Zacharias, Panthapally S.; Das, Samar K.","First structurally characterized optically active mononuclear Mn(iv) complex: synthesis, crystal structure and properties of [MnivL2] {H2L?=?S-(?)-2-[(2-hydroxy-1-phenylethylimino)methyl]phenol}Electronic supplementary information (ESI) available: GC analysis of the styrene epoxidation; 1H NMR spectrum of (E)-stilbene oxide produced by the epoxidation of (E)-stilbene. See http://www.rsc.org/suppdata/nj/b3/b315658c/","New Journal of Chemistry","2004","28","6","735","","10.1039/b315658c","","","0.71073","MoKα","","0.0253","0.0236","","","0.0622","0.0633","","","","","","1.073","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050272","27.863","0.0005","11.4857","0.0002","7.5182","0.0001","90","","93.915","0.001","90","","2400.41","0.07","200","2","200","2","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N8 O5 -","- C24 H26 N8 O5 -","- C96 H104 N32 O20 -","4","1","","Carmen Alvarez-Rua; Santiago García-Granda; Shyamaprosad Goswami; Reshmi Mukherjee; Swapan Dey; Rosa M. Claramunt; M. Dolores Santa María; Isabel Rozas; Nadine Jagerovic; Ibon Alkorta; José Elguero","Multiple hydrogen bonds and tautomerism in naphthyridine derivatives","New J. Chem.","2004","28","6","700","707","10.1039/b315692c","","","1.5418","CuKα","","0.0697","0.0461","","","0.1221","0.1647","","","","","","0.962","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050273","19.001","0.003","25.829","0.008","7.844","0.002","90","","90","","90","","3849.7","1.7","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C10 H10 N4 O -","- C10 H10 N4 O -","- C160 H160 N64 O16 -","16","1","","Carmen Alvarez-Rua; Santiago García-Granda; Shyamaprosad Goswami; Reshmi Mukherjee; Swapan Dey; Rosa M. Claramunt; M. Dolores Santa María; Isabel Rozas; Nadine Jagerovic; Ibon Alkorta; José Elguero","Multiple hydrogen bonds and tautomerism in naphthyridine derivatives","New J. Chem.","2004","28","6","700","707","10.1039/b315692c","","","1.5418","CuKα","","0.085","0.0482","","","0.0994","0.1184","","","","","","0.95","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050284","38.6254","0.0007","12.3153","0.0002","21.5662","0.0005","90","","101.392","0.0007","90","","10056.6","0.3","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H144 Cl8 O4 Si8 Sn8 -","- C60 H144 Cl8 O4 Si8 Sn8 -","- C240 H576 Cl32 O16 Si32 Sn32 -","4","0.5","","Jens Beckmann; Dainis Dakternieks; Andrew Duthie; Fong Sheen Kuan; Klaus Jurkschat; Markus Schürman; Edward R. T. Tiekink","Synthesis and structures of new oligomethylene-bridged double ladders. How far can the layers be separated?","New J.Chem.(Nouv.J.Chim.)","2004","28","","1268","1276","10.1039/b316009b","","","0.71073","MoKα","","0.128","0.046","","","0.051","0.063","","","","","","0.88","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050300","10.5172","0.0005","13.5574","0.0006","14.6025","0.0007","117.086","0.001","95.729","0.001","103.286","0.001","1753.19","0.14","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H33 N6 O6 Ru -","- C39 H33 N6 O6 Ru -","- C78 H66 N12 O12 Ru2 -","2","1","","Das, Anindya; Peng, Shie-Ming; Lee, Gene-Hsiang; Bhattacharya, Samaresh","Synthesis, structure and electrochemical properties of a group of ruthenium(iii) complexes of N-(aryl)picolinamide","New Journal of Chemistry","2004","28","6","712","","10.1039/b317018g","","","0.71073","MoKα","","0.0368","0.0323","","","0.082","0.0844","","","","","","1.086","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050301","8.043","0.001","15.116","0.0012","8.934","0.0011","90","","96.65","0.012","90","","1078.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,5-dimethylpyrazole 1:1 adduct with phenol","","- C11 H14 N2 O -","- C11 H14 N2 O -","- C44 H56 N8 O4 -","4","1","","Boldog, Ishtvan; Rusanov, Eduard B.; Sieler, Joachim; Domasevitch, Konstantin V.","Cooperative association of pyrazoles and phenols: A versatile binary systemElectronic supplementary information (ESI) available: Details for crystal structure determination and refinement and geometry of hydrogen bonding in structures. See http://www.rsc.org/suppdata/nj/b3/b317104c/","New Journal of Chemistry","2004","28","6","756","","10.1039/b317104c","","","0.71073","MoKα","","0.0787","0.036","","","0.09","0.1033","","","","","","1","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050302","11.901","0.002","9.9022","0.0019","18.667","0.004","90","","90","","90","","2199.8","0.7","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,5-dimetylpyrazole 1:1 adduct with hydroquinone","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C88 H112 N16 O16 -","8","1","","Boldog, Ishtvan; Rusanov, Eduard B.; Sieler, Joachim; Domasevitch, Konstantin V.","Cooperative association of pyrazoles and phenols: A versatile binary systemElectronic supplementary information (ESI) available: Details for crystal structure determination and refinement and geometry of hydrogen bonding in structures. See http://www.rsc.org/suppdata/nj/b3/b317104c/","New Journal of Chemistry","2004","28","6","756","","10.1039/b317104c","","","0.71073","MoKα","","0.0444","0.0362","","","0.0912","0.096","","","","","","1.023","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050303","19.065","0.002","14.725","0.002","8.583","0.001","90","","114.8","0.02","90","","2187.3","0.6","223","2","223","2","","","","","","","","4","C 1 c 1","C -2yc","9","","3,3',5,5'-tetramethyl-4,4'-bipyrazole 1:2 adduct with phenol","","- C22 H26 N4 O2 -","- C22 H26 N4 O2 -","- C88 H104 N16 O8 -","4","1","","Boldog, Ishtvan; Rusanov, Eduard B.; Sieler, Joachim; Domasevitch, Konstantin V.","Cooperative association of pyrazoles and phenols: A versatile binary systemElectronic supplementary information (ESI) available: Details for crystal structure determination and refinement and geometry of hydrogen bonding in structures. See http://www.rsc.org/suppdata/nj/b3/b317104c/","New Journal of Chemistry","2004","28","6","756","","10.1039/b317104c","","","0.71073","MoKα","","0.0481","0.0426","","","0.1196","0.1258","","","","","","1.036","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050304","7.3717","0.0007","14.1921","0.0014","16.4357","0.0016","98.782","0.002","94.46","0.002","103.055","0.002","1644.1","0.3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","3,3',5,5'-tetramethyl-4,4'-bipyrazole 1:1 adduct with hydroquinone","","- C16 H20 N4 O2 -","- C16 H20 N4 O2 -","- C64 H80 N16 O8 -","4","2","","Boldog, Ishtvan; Rusanov, Eduard B.; Sieler, Joachim; Domasevitch, Konstantin V.","Cooperative association of pyrazoles and phenols: A versatile binary systemElectronic supplementary information (ESI) available: Details for crystal structure determination and refinement and geometry of hydrogen bonding in structures. See http://www.rsc.org/suppdata/nj/b3/b317104c/","New Journal of Chemistry","2004","28","6","756","","10.1039/b317104c","","","0.71073","MoKα","","0.0891","0.0512","","","0.1345","0.1514","","","","","","0.946","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050305","18.27","0.003","8.5281","0.0011","21.054","0.004","90","","90","","90","","3280.4","0.9","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,3',5,5'-Tetramethyl-4,4'-bipyrazolyl 1:1 complex with Resorcinol","","- C16 H20 N4 O2 -","- C16 H20 N4 O2 -","- C128 H160 N32 O16 -","8","1","","Boldog, Ishtvan; Rusanov, Eduard B.; Sieler, Joachim; Domasevitch, Konstantin V.","Cooperative association of pyrazoles and phenols: A versatile binary systemElectronic supplementary information (ESI) available: Details for crystal structure determination and refinement and geometry of hydrogen bonding in structures. See http://www.rsc.org/suppdata/nj/b3/b317104c/","New Journal of Chemistry","2004","28","6","756","","10.1039/b317104c","","","0.71073","MoKα","","0.0724","0.0492","","","0.1277","0.1405","","","","","","1.086","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050306","29.564","0.003","46.197","0.006","8.5541","0.001","90","","90","","90","","11683","2","223","2","223","2","","","","","","","","4","F d d 2","F 2 -2d","43","","3,3',5,5'-Tetramethyl-4,4'-bipyrazolyl 2:1 adduct with Floroglucine, Monohydrate","","- C26 H36 N8 O4 -","- C26 H36 N8 O4 -","- C416 H576 N128 O64 -","16","1","","Boldog, Ishtvan; Rusanov, Eduard B.; Sieler, Joachim; Domasevitch, Konstantin V.","Cooperative association of pyrazoles and phenols: A versatile binary systemElectronic supplementary information (ESI) available: Details for crystal structure determination and refinement and geometry of hydrogen bonding in structures. See http://www.rsc.org/suppdata/nj/b3/b317104c/","New Journal of Chemistry","2004","28","6","756","","10.1039/b317104c","","","0.71073","MoKα","","0.0549","0.0432","","","0.1057","0.111","","","","","","1.04","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050307","20.736","0.004","15.807","0.003","16.385","0.003","90","","116.93","0.03","90","","4788","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H64 N16 O4 -","- C52 H60 N16 O4 -","- C208 H240 N64 O16 -","4","0.5","","Liu, Simin; Wu, Xiaojun; Zhang, Shiwei; Yao, Junhua; Liang, Feng; Wu, Chengtai","Facile synthesis of novel macrocyclic polyamines derived from diphenylglycolurilElectronic supplementary information (ESI) available: ESI mass spectra of 5a, 6, alone and with added Ni(CH3COO)2, and 7. See http://www.rsc.org/suppdata/nj/b4/b400123k/","New Journal of Chemistry","2004","28","5","562","","10.1039/b400123k","","","0.71073","MoKα","","0.1268","0.0579","","","0.1435","0.1615","","","","","","0.835","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050308","10.4525","0.0004","13.0911","0.0005","17.7535","0.0006","81.517","0.001","78.849","0.002","70.818","0.001","2241.84","0.14","120","2","120","2","","","","","","","","7","P -1","-P 1","2","[Br(PPh3)(Py)Pd]2","Bromo(triphenylposphine)(2-pyridine)Paladium dimer","","- C51.5 H41.5 Br2 F N2.5 P2 Pd2 -","- C51.5 H41.5 Br2 F N2.5 P2 Pd2 -","- C103 H83 Br4 F2 N5 P4 Pd4 -","2","1","","Andrew Beeby; Sylvia Bettington; Ian J. S. Fairlamb; Andrés E. Goeta; Anant R. Kapdi; Elina H. Niemelä; Amber L. Thompson","A new precatalyst for the Suzuki reaction—a pyridyl-bridged dinuclear palladium complex as a source of mono-ligated palladium(0)","New J. Chem.","2004","28","5","600","605","10.1039/b401077a","","","0.71073","MoKα","","0.068","0.0431","","","0.0898","0.1002","","","","","","1.035","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7050309","11.571","0.002","11.724","0.002","14.461","0.002","90","","90","","90","","1961.8","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-Methyl-2,4-dibromo-piridinium iodide","","- C6 H6 Br2 I N -","- C6 H6 Br2 I N -","- C48 H48 Br16 I8 N8 -","8","1","","Logothetis, Thomas A.; Meyer, Franck; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe","Crystal engineering of brominated tectons: N-methyl-3,5-dibromo-pyridinium iodide gives particularly short C?Br?I halogen bondingElectronic supplementary information (ESI) available: rotatable 3D versions of Fig. 1 and Fig. 3. See http://www.rsc.org/suppdata/nj/b4/b401421a/","New Journal of Chemistry","2004","28","6","760","","10.1039/b401421a","","","0.71073","MoKα","","0.0399","0.027","","","0.0679","0.0736","","","","","","1.039","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050310","12.4208","0.0009","12.684","0.0012","14.2246","0.0015","97.844","0.005","115.241","0.005","104.18","0.005","1889.7","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","gyefebh","","","- C86 H96 B2 Fe2 O4 P6 -","- C96.5 H84 B Fe2 P6 -","- C96.5 H84 B Fe2 P6 -","1","0.5","","Guilera, Gemma; Sean McGrady, G.; Steed, Jonathan W.; Kaltsoyannis, Nikolas","Expanding metallaborane chemistry: an octahedral BH6 moiety supported through M?H?B bridges","New Journal of Chemistry","2004","28","4","444","","10.1039/b401442c","","","0.71073","MoKα","","0.1704","0.1341","","","0.2043","0.2147","","","","","","1.318","","","","has coordinates,has disorder","180057","2020-10-21","18:00:00",""
"7050315","7.5335","0.0011","7.5335","0.0011","71.976","0.014","90","","90","","90","","4084.9","1.2","173","2","173","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C21 H26 Cl N O6 -","- C21 H26 Cl N O6 -","- C168 H208 Cl8 N8 O48 -","8","1","","John Smith; Elizabeth Balchin; Mike Bearpark; Anthony J. Horsewill; D. Malcolme-Lawes; M.Rowe; Jonathan Steed; David Stephenson; Weimin Wu","The Unusual Solid State Structure of Heroin Hydrochloride Monohydrate and its Selective Detection Using NQR Spectroscopy.","New J.Chem.(Nouv.J.Chim.)","2004","28","","1309","1314","10.1039/b401797h","","","0.71073","MoKα","","0.2057","0.0778","","","0.0943","0.1267","","","","","","1","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050316","7.1111","0.0012","7.8561","0.0013","9.031","0.0016","75.614","0.003","68.57","0.004","76.107","0.004","448.63","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H9 Co N O7 -","- C7 H5 Co N O7 -","- C14 H10 Co2 N2 O14 -","2","1","","Jingyang Niu; Dong-jie Guo; Jingping Wang; Jun-wei Zhao","Controlled assembly of polyoxometalate-based composite materials containing zero- and one-dimensional structures","New J.Chem.(Nouv.J.Chim.)","2004","28","","980","987","10.1039/b401769b","","","0.71073","MoKα","","0.118","0.0889","","","0.2229","0.2615","","","","","","1.022","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7050317","16.9596","0.0004","8.8949","0.0002","11.6793","0.0003","90","","94.87","0.03","90","","1755.51","0.07","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1,4,7,10-tetraazacyclododecane-dihydrogenbromide-dihydrate","1,4,7,10-tetraazacyclododecane-dihydrogenbromide-dihydrate","","- C8 H28 Br4 N4 O2 -","- C8 H26 Br4 N4 O2 -","- C32 H104 Br16 N16 O8 -","4","0.5","","Warden, Andrew C.; Warren, Mark; Spiccia, Leone; Hearn, Milton T. W.","Anion Binding to Azamacrocycles: Synthesis and X-ray Crystal Structures of Halide Adducts of [12]aneN~4~ and [18]aneN~6~","New Journal of Chemistry","2004","28","9","1160","1167","10.1039/B401841A","","","0.71073","MoKα","","0.0724","0.0447","","","0.1029","0.1134","","","","","","0.98","","","","has coordinates","190835","2020-10-21","18:00:00",""
"7050318","25.4408","0.0004","8.0708","0.0003","16.7769","0.0002","90","","103.915","0.001","90","","3343.67","0.14","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,4,7,10-tetraazacyclododecane-dihydrogentriiodide-diiodine-diacetonitrile","1,4,7,10-tetraazacyclododecane-dihydrogentriiodide-diiodine-diacetonitrile","","- C12 H28 I10 N6 -","- C12 H28 I10 N6 -","- C48 H112 I40 N24 -","4","0.5","","Warden, Andrew C.; Warren, Mark; Spiccia, Leone; Hearn, Milton T. W.","Anion Binding to Azamacrocycles: Synthesis and X-ray Crystal Structures of Halide Adducts of [12]aneN~4~ and [18]aneN~6~","New Journal of Chemistry","2004","28","9","1160","1167","10.1039/B401841A","","","0.71073","MoKα","","0.0672","0.0428","","","0.0927","0.1032","","","","","","1.019","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050319","7.2793","0.0002","8.0716","0.0003","11.4099","0.0003","87.859","0.002","77.59","0.002","88.234","0.001","654.1","0.03","123","2","123","2","","","","","","","","5","P -1","-P 1","2","1,4,7,10,13,16-hexaazacyclooctadecane-hexahydrogenchloride- tetrahydrate","1,4,7,10,13,16-hexaazacyclooctadecane-hexahydrogenchloride-tetrahydrate","","- C12 H44 Cl6 N6 O4 -","- C12 H44 Cl6 N6 O4 -","- C12 H44 Cl6 N6 O4 -","1","0.5","","Warden, Andrew C.; Warren, Mark; Spiccia, Leone; Hearn, Milton T. W.","Anion Binding to Azamacrocycles: Synthesis and X-ray Crystal Structures of Halide Adducts of [12]aneN~4~ and [18]aneN~6~","New Journal of Chemistry","2004","28","9","1160","1167","10.1039/B401841A","","","0.71073","MoKα","","0.0855","0.0472","","","0.0873","0.1005","","","","","","0.973","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050320","21.5782","0.0001","6.2908","0.0005","17.4204","0.0006","90","","90","","90","","2364.7","0.2","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","1,4,7,10,13,16-hexaazacyclooctadecane-tetrahydrogenbromide- dihydrate","1,4,7,10,13,16-hexaazacyclooctadecane-tetrahydrogenbromide-dihydrate","","- C12 H38 Br4 N6 O2 -","- C12 H33 Br4 N6 O2 -","- C48 H132 Br16 N24 O8 -","4","1","","Warden, Andrew C.; Warren, Mark; Spiccia, Leone; Hearn, Milton T. W.","Anion Binding to Azamacrocycles: Synthesis and X-ray Crystal Structures of Halide Adducts of [12]aneN~4~ and [18]aneN~6~","New Journal of Chemistry","2004","28","9","1160","1167","10.1039/B401841A","","","0.71073","MoKα","","0.0881","0.0628","","","0.1499","0.1631","","","","","","1.015","","","","has coordinates","190835","2020-10-21","18:00:00",""
"7050321","8.1626","0.0002","22.7532","0.0005","8.2545","0.0002","90","","92.97","0.001","90","","1531.01","0.06","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,4,7,10,13,16-hexaazacyclooctadecane-dihydrogentriiodide- dihydrogeniodide","1,4,7,10,13,16-hexaazacyclooctadecane-dihydrogentriiodide-dihydrogeniodide","","- C12 H34 I8 N6 -","- C12 H34 I8 N6 -","- C24 H68 I16 N12 -","2","0.5","","Warden, Andrew C.; Warren, Mark; Spiccia, Leone; Hearn, Milton T. W.","Anion Binding to Azamacrocycles: Synthesis and X-ray Crystal Structures of Halide Adducts of [12]aneN~4~ and [18]aneN~6~","New Journal of Chemistry","2004","28","9","1160","1167","10.1039/B401841A","","","0.71073","MoKα","","0.0602","0.0452","","","0.1092","0.1177","","","","","","1.03","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050322","9.059","0.001","7.515","0.001","12.102","0.004","90","","92.33","0.01","90","","823.2","0.3","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,5-dimethyl-3,6-bis-phenylethynylpyrazine","","","- C22 H16 N2 -","- C22 H16 N2 -","- C44 H32 N4 -","2","0.5","","Zhao, Liang; Perepichka, Igor F.; Türksoy, Figen; Batsanov, Andrei S.; Beeby, Andrew; Findlay, Karen S.; Bryce, Martin R.","2,5-Di(aryleneethynyl)pyrazine derivatives: synthesis, structural and optoelectronic properties, and light-emitting device","New Journal of Chemistry","2004","28","8","912","918","10.1039/B401867M","","","0.71073","MoKα","","0.0514","0.0383","","","0.1049","0.1145","","","","","","1.053","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050356","8.7294","0.0007","12.1861","0.001","15.3426","0.0012","72.435","0.001","79.668","0.001","89.855","0.002","1528.5","0.2","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H27 Cu N11 O S2 -","- C25 H27 Cu N11 O S2 -","- C50 H54 Cu2 N22 O2 S4 -","2","1","","Ray, Umasankar; Banerjee, Debasis; Mostafa, Golam; Lu, Tian-Huey; Sinha, Chittaranjan","Copper coordination compounds of chelating imidazole-azo-aryl ligand. The molecular structures of bis[1-ethyl-2-(p-tolylazo)imidazole]-bis-(azido)copper(ii) and bis[1-methyl-2-(phenylazo)imidazole]-bis(thiocyanato)copper(ii)","New Journal of Chemistry","2004","28","12","1437","","10.1039/b406445c","","","0.71073","MoK\α","","0.0839","0.0474","","","0.1369","0.1529","","","","","","0.892","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050357","11.8632","0.0008","17.6782","0.0013","26.703","0.002","90","","90","","90","","5600.2","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H28 Cu N14 -","- C24 H28 Cu N14 -","- C192 H224 Cu8 N112 -","8","1","","Ray, Umasankar; Banerjee, Debasis; Mostafa, Golam; Lu, Tian-Huey; Sinha, Chittaranjan","Copper coordination compounds of chelating imidazole-azo-aryl ligand. The molecular structures of bis[1-ethyl-2-(p-tolylazo)imidazole]-bis-(azido)copper(ii) and bis[1-methyl-2-(phenylazo)imidazole]-bis(thiocyanato)copper(ii)","New Journal of Chemistry","2004","28","12","1437","","10.1039/b406445c","","","0.71073","MoK\α","","0.1149","0.0546","","","0.1076","0.1249","","","","","","0.992","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050370","9.63","0.002","21.727","0.004","17.275","0.003","90","","96.69","0.001","90","","3589.9","1.2","120","","120","","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H44 N3 O21 P4 Sm -","- C18 H44 N3 O21 P4 Sm -","- C72 H176 N12 O84 P16 Sm4 -","4","0.5","","Lees, Anthony M. J.; Kresinski, Roman A.; Platt, Andrew W. G.","Complexes of (EtO)2P(O)CH2P(O)(OEt)2 with lanthanide nitrates","New Journal of Chemistry","2004","28","12","1457","","10.1039/b408536a","","x-ray","0.71073","MoKα","","0.0448","0.0429","","","0.1153","0.1159","","","","","","1.352","","","","has coordinates,has disorder","301851","2025-08-21","20:32:33",""
"7050371","8.8205","0.0011","20.0885","0.0006","20.63","0.0014","90","","91.716","0.016","90","","3653.8","0.5","0","","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H44 La N3 O21 P4 -","- C18 H44 La N3 O21 P4 -","- C72 H176 La4 N12 O84 P16 -","4","1","","Lees, Anthony M. J.; Kresinski, Roman A.; Platt, Andrew W. G.","Complexes of (EtO)2P(O)CH2P(O)(OEt)2 with lanthanide nitrates","New Journal of Chemistry","2004","28","12","1457","","10.1039/b408536a","","x-ray","0.71069","MoKα","","0.0464","0.0365","","","0.0833","0.0853","","","","","","0.984","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050382","5.3858","0.0003","13.3905","0.0009","13.4835","0.0006","90","","96.434","0.009","90","","966.29","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H15 N O2 S -","- C7 H15 N O2 S -","- C28 H60 N4 O8 S4 -","4","1","","Lech Kozerski; Brunon Kwiecień; Robert Kawęcki; Zofia Urbańczyk-Lipkowska; Wojciech Bocian; Elżbieta Bednarek; Jerzy Sitkowski; Jan Maurin; Leszek Pazderski; Poul E. Hansen","Hydrogen bonds in “push-pull” enamines","New J. Chem.","2004","28","12","1562","1567","10.1039/b409254f","","","1.54178","CuKα","","0.0643","0.0634","","","0.1447","0.1474","","","","","","1.034","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050383","5.764","0.005","16.888","0.012","6.447","0.004","90","","115.2","0.07","90","","567.8","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H17 N O2 S -","- C9 H17 N O2 S -","- C18 H34 N2 O4 S2 -","2","1","","Lech Kozerski; Brunon Kwiecień; Robert Kawęcki; Zofia Urbańczyk-Lipkowska; Wojciech Bocian; Elżbieta Bednarek; Jerzy Sitkowski; Jan Maurin; Leszek Pazderski; Poul E. Hansen","Hydrogen bonds in “push-pull” enamines","New J. Chem.","2004","28","12","1562","1567","10.1039/b409254f","","","0.71073","MoKα","","0.1155","0.0531","","","0.1334","0.1522","","","","","","0.965","","","","has coordinates,has disorder","301851","2025-08-21","20:32:33",""
"7050384","20.7206","0.0006","20.5047","0.0005","11.9981","0.0003","90","","93.101","0.001","90","","5090.2","0.2","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","[CL3Ti{(CyN)2CC6H4C(NCySiMe3)(NHCy)}]{Ti2Cl9]","","","- C35 H58 Cl12 N4 Si Ti3 -","- C35 H58 Cl12 N4 Si Ti3 -","- C140 H232 Cl48 N16 Si4 Ti12 -","4","1","","Grundy, Joanna; Coles, Martyn P.; Hitchcock, Peter B.","Ambiphilic ligands from the 1,4-benzenebis(amidine) framework","New Journal of Chemistry","2004","28","10","1195","1197","10.1039/b409256b","","x-ray","0.71073","MoKα","","0.0866","0.0508","","","0.0888","0.0996","","","","","","1.029","","","","has coordinates","218968","2020-10-21","18:00:00",""
"7050385","7.2878","0.0005","14.4364","0.0008","17.4246","0.001","72.557","0.005","85.278","0.005","82.046","0.005","1730.49","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","[8-(3'-(3,5-dibenzyloxy-benzyloxy)-2'-hydroxyphenyl)- (5,6)-benzo-4,7-diazaocta-2,7-dien-1-onato(2-)]nickel(II)","","- C44 H36 N2 Ni O5 -","- C44 H36 N2 Ni O5 -","- C88 H72 N4 Ni2 O10 -","2","1","","Dariusz Pawlica; Marek Marszałek; Grzegorz Mynarczuk; Lesław Sieroń; Julita Eilmes","New unsymmetrical Schiff base Ni(II) complexes as scaffolds for dendritic and amino acid superstructures","New J. Chem.","2004","28","12","1615","1621","10.1039/b409298h","","x-ray","0.71073","MoKα","","0.0817","0.0334","","","0.0524","0.0612","","","","","","0.675","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050386","23.2759","0.0003","8.4381","0.0001","25.9355","0.0003","90","","96.476","0.001","90","","5061.34","0.11","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[8-(3'-Ac-(D,L)-alanyloxy)-2'-hydroxyphenyl)-(5,6)-benzo -4,7-diazaocta-2,7-dien-1-onato(2-)]nickel(II)","","- C28 H25 N3 Ni O5 -","- C28 H25 N3 Ni O5 -","- C224 H200 N24 Ni8 O40 -","8","1","","Dariusz Pawlica; Marek Marszałek; Grzegorz Mynarczuk; Lesław Sieroń; Julita Eilmes","New unsymmetrical Schiff base Ni(II) complexes as scaffolds for dendritic and amino acid superstructures","New J. Chem.","2004","28","12","1615","1621","10.1039/b409298h","","","1.54178","CuKα","","0.0368","0.0342","","","0.0992","0.1016","","","","","","1.05","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050387","21.8152","0.0003","7.5781","0.0001","22.956","0.0004","90","","114.209","0.0007","90","","3461.28","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","[8-(3'-Boc-(L)-phenylalanyloxy-2'-hydroxyphenyl)-(5,6) -benzo-3-methyl-1-phenyl-4,7-diazaocta-2,7-dien-1 -onato(2-)]nickel(II) dihydrate","","- C37 H39 N3 Ni O8 -","- C37 H39 N3 Ni O8 -","- C148 H156 N12 Ni4 O32 -","4","2","","Dariusz Pawlica; Marek Marszałek; Grzegorz Mynarczuk; Lesław Sieroń; Julita Eilmes","New unsymmetrical Schiff base Ni(II) complexes as scaffolds for dendritic and amino acid superstructures","New J. Chem.","2004","28","12","1615","1621","10.1039/b409298h","","","1.54178","CuKα","","0.0606","0.0437","","","0.1121","0.1205","","","","","","1.03","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050392","8.3873","0.0006","8.3873","0.0006","10.5853","0.0012","90","","90","","90","","744.64","0.11","150","2","150","2","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","caesium penta-bromo-monocarbadecaborane","","","- C H5 B9 Br5 Cs -","- C H5 B9 Br5 Cs -","- C2 H10 B18 Br10 Cs2 -","2","0.125","","Andreas Franken; Neil J. Bullen; Tomáš Jelínek; Mark Thornton-Pett; Simon J. Teat; William Clegg; John D. Kennedy; Michaele J. Hardie","Structural chemistry of halogenated monocarbaboranes: the extended structures of Cs[1-HCB9H4Br5], Cs[1-HCB11H5Cl6] and Cs[1-HCB11H5Br6]","New J. Chem.","2004","28","12","1499","1505","10.1039/b410929e","","","0.6883","synchrotron","","0.0617","0.0613","","","0.1211","0.1222","","","","","","1.241","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050393","15.0967","0.0003","9.246","0.0002","12.5568","0.0003","90","","97.112","0.001","90","","1739.24","0.07","150","2","150","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","caesium hexa-bromo-monocarbadodecaborane","","","- C H6 B11 Br6 Cs -","- C H6 B11 Br6 Cs -","- C4 H24 B44 Br24 Cs4 -","4","1","","Andreas Franken; Neil J. Bullen; Tomáš Jelínek; Mark Thornton-Pett; Simon J. Teat; William Clegg; John D. Kennedy; Michaele J. Hardie","Structural chemistry of halogenated monocarbaboranes: the extended structures of Cs[1-HCB9H4Br5], Cs[1-HCB11H5Cl6] and Cs[1-HCB11H5Br6]","New J. Chem.","2004","28","12","1499","1505","10.1039/b410929e","","","0.71073","MoKα","","0.0448","0.0376","","","0.0917","0.0958","","","","","","1.034","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050395","35.96","0.03","24.41","0.02","25.89","0.02","90","","126.99","0.05","90","","18152","3","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C228 H218 O13 -","- C228 H218 O13 -","- C912 H872 O52 -","4","0.5","","Nicola Armaroli; Gianluca Accorsi; Yannick Rio; Paola Ceroni; Veronica Vicinelli; Richard Welter; Tao Gu; Mohamed Saddik; Michel Holler; Jean-François Nierengarten","Electronic properties of oligophenylenevinylene and oligophenyleneethynylene arrays constructed on the upper rim of a calix[4]arene core","New J. Chem.","2004","28","12","1627","1637","10.1039/b415063p","","","0.71069","MoKα","","0.1941","0.1119","","","0.2164","0.2534","","","","","","1.046","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7052502","9.0167","0.0006","10.6153","0.0008","14.1165","0.0012","80.777","0.003","72.91","0.005","89.329","0.004","1273.91","0.17","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H44 Co2 O8 P4 -","- C56 H44 Co2 O8 P4 -","- C56 H44 Co2 O8 P4 -","1","0.5","","Golovko, Vladimir B.; Hope-Weeks, Louisa J.; Mays, Martin J.; McPartlin, Mary; Sloan, Anna M.; Woods, Anthony D.","Synthesis of cobalt-containing cyclophanes, and the formation of an unprecedented seven-membered cyclic diyneElectronic supplementary information (ESI) available: crystallographic data for complexes 8 and 11. See http://www.rsc.org/suppdata/nj/b3/b310515f/","New Journal of Chemistry","2004","28","4","527","","10.1039/b310515f","","","0.71069","MoKα","","0.1118","0.0535","","","0.0951","0.1162","","","","","","0.996","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052503","7.9541","0.0006","8.0955","0.0006","12.4315","0.0012","86.127","0.005","85.621","0.004","77.462","0.005","778.05","0.11","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H18 Co4 O14 -","- C28 H18 Co4 O14 -","- C28 H18 Co4 O14 -","1","0.5","","Golovko, Vladimir B.; Hope-Weeks, Louisa J.; Mays, Martin J.; McPartlin, Mary; Sloan, Anna M.; Woods, Anthony D.","Synthesis of cobalt-containing cyclophanes, and the formation of an unprecedented seven-membered cyclic diyneElectronic supplementary information (ESI) available: crystallographic data for complexes 8 and 11. See http://www.rsc.org/suppdata/nj/b3/b310515f/","New Journal of Chemistry","2004","28","4","527","","10.1039/b310515f","","","0.71069","MoKα","","0.0638","0.0473","","","0.1192","0.1288","","","","","","1.128","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052504","13.084","0.0015","18.5298","0.0019","10.169","0.0013","90","","97.236","0.009","90","","2445.8","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 Cl Fe N4 O8 -","- C22 H28 Cl Fe N4 O8 -","- C88 H112 Cl4 Fe4 N16 O32 -","4","0.5","","Sébastien Floquet; M. Carmen Muñoz; Eric Rivière; René Clément; Jean-Paul Audière; Marie-Laure Boillot","Structural effects on the magnetic properties of ferric complexes in molecular materials or a lamellar CdPS3 host matrix","New J. Chem.","2004","28","4","535","541","10.1039/b311371j","","","0.71073","MoKα","","0.1013","0.0715","","","0.2035","0.2358","","","","","","0.909","","","","has coordinates","301851","2025-08-21","20:32:40",""
"7052508","7.472","0.0005","8.9926","0.0006","17.5962","0.0014","90","","90","","90","","1182.34","0.15","250","2","250","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1:1 co-crystal of urea:phosphoric acid","","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","","Andrew Parkin; Suzanne M. Harte; Andrés E. Goeta; Chick C. Wilson","Imaging proton migration from X-rays and neutrons","New J. Chem.","2004","28","6","718","721","10.1039/b315515c","","","0.71073","MoKα","","0.0334","0.0294","","","0.0817","0.0861","","","","","","1.069","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052509","7.4858","0.0004","9.0041","0.0005","17.6597","0.001","90","","90","","90","","1190.31","0.11","300","2","300","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1:1 co-crystal of urea:phosphoric acid","","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","","Andrew Parkin; Suzanne M. Harte; Andrés E. Goeta; Chick C. Wilson","Imaging proton migration from X-rays and neutrons","New J. Chem.","2004","28","6","718","721","10.1039/b315515c","","","0.71073","MoKα","","0.0375","0.0325","","","0.0867","0.0912","","","","","","1.116","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052510","7.4904","0.0006","9.0176","0.0007","17.7254","0.0016","90","","90","","90","","1197.27","0.17","350","2","350","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1:1 co-crystal of urea:phosphoric acid","","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","","Andrew Parkin; Suzanne M. Harte; Andrés E. Goeta; Chick C. Wilson","Imaging proton migration from X-rays and neutrons","New J. Chem.","2004","28","6","718","721","10.1039/b315515c","","","0.71073","MoKα","","0.0413","0.0348","","","0.0955","0.1017","","","","","","1.126","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052511","7.1111","0.0012","7.8561","0.0013","9.031","0.0016","75.614","0.003","68.57","0.004","76.107","0.004","448.63","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H9 Co N O7 -","- C7 H5 Co N O7 -","- C14 H10 Co2 N2 O14 -","2","1","","Zhou, You-Fu; Yuan, Da-Qiang; Wu, Ben-Lai; Wang, Rui-Hu; Hong, Mao-Chun","Design of metal-organic NLO materials: complexes derived from pyridine-3,4-dicarboxylate","New Journal of Chemistry","2004","28","12","1590","","10.1039/b401802h","","","0.71073","MoKα","","0.118","0.0889","","","0.2229","0.2615","","","","","","1.022","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052512","14.5462","0.0002","8.8913","0.0002","12.2784","0.0003","90","","97.01","0.001","90","","1576.15","0.06","150","2","150","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","caesium hexa-chloro-monocarbadodecaborane","","","- C H6 B11 Cl6 Cs -","- C H6 B11 Cl6 Cs -","- C4 H24 B44 Cl24 Cs4 -","4","1","","Andreas Franken; Neil J. Bullen; Tomáš Jelínek; Mark Thornton-Pett; Simon J. Teat; William Clegg; John D. Kennedy; Michaele J. Hardie","Structural chemistry of halogenated monocarbaboranes: the extended structures of Cs[1-HCB9H4Br5], Cs[1-HCB11H5Cl6] and Cs[1-HCB11H5Br6]","New J. Chem.","2004","28","12","1499","1505","10.1039/b410929e","","","0.71073","MoKα","","0.0413","0.0377","","","0.0983","0.1019","","","","","","1.086","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7053689","21.7465","0.001","21.7465","0.001","16.8412","0.0015","90","","90","","120","","6897.4","0.8","295","2","295","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C30 H24 O3 -","- C30 H24 O3 -","- C360 H288 O36 -","12","0.666667","","Kumar, V. S. Senthil; Pigge, F. Christopher; Rath, Nigam P.","Interpenetration of distinct 2D and 3D organic networks in the crystal structure of 1,3,5-tris(4-methylbenzoyl)benzene","New Journal of Chemistry","2004","28","10","1192","","10.1039/b408481k","","","0.71073","MoKα","","0.0945","0.0544","","","0.1394","0.1591","","","","","","1.038","","","","has coordinates","301851","2025-08-21","20:32:44",""