# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T11:34:25+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 4/n c c :2' 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
"1000365","6.2096","0.00008","6.2096","0.00008","12.9628","0.0002","90","","90","","90","","499.8","","","","","","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","","Trilithium thorium fluoride","","- F7 Li3 Th -","- F7 Li3 Th -","- F28 Li12 Th4 -","4","0.25","","Laligant, Y; Ferey, G; El Ghozzi, M; Avignant, D","Thermal study of Li3 Th F7 ionic conductor by neutron diffraction: conduction pathways","European Journal of Solid State Inorganic Chemistry","1992","29","","497","504","","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000366","6.21785","0.00006","6.21785","0.00006","12.9836","0.0002","90","","90","","90","","502","","","","","","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","","Trilithium thorium fluoride","","- F7 Li3 Th -","- F7 Li3 Th -","- F28 Li12 Th4 -","4","0.25","","Laligant, Y; Ferey, G; El Ghozzi, M; Avignant, D","Thermal study of Li3 Th F7 ionic conductor by neutron diffraction: conduction pathways","European Journal of Solid State Inorganic Chemistry","1992","29","","497","504","","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000367","6.2301","0.00007","6.2301","0.00007","13.0153","0.0002","90","","90","","90","","505.2","","","","","","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","","Trilithium thorium fluoride","","- F7 Li3 Th -","- F7 Li3 Th -","- F28 Li12 Th4 -","4","0.25","","Laligant, Y; Ferey, G; El Ghozzi, M; Avignant, D","Thermal study of Li3 Th F7 ionic conductor by neutron diffraction: conduction pathways","European Journal of Solid State Inorganic Chemistry","1992","29","","497","504","","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000368","6.24774","0.00008","6.24774","0.00008","13.0604","0.0002","90","","90","","90","","509.8","","","","","","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","","Trilithium thorium fluoride","","- F7 Li3 Th -","- F7 Li3 Th -","- F28 Li12 Th4 -","4","0.25","","Laligant, Y; Ferey, G; El Ghozzi, M; Avignant, D","Thermal study of Li3 Th F7 ionic conductor by neutron diffraction: conduction pathways","European Journal of Solid State Inorganic Chemistry","1992","29","","497","504","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001414","8.803","0.0008","8.803","0.0008","8.697","0.0006","90","","90","","90","","674","","","","","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","Molybdenum(V) nonaoxoalumodiphosphate","","- Al Mo O9 P2 -","- Al Mo O9 P2 -","- Al4 Mo4 O36 P8 -","4","0.25","","Leclaire, A; Borel, M; Grandin, A; Raveau, B","Mo Al P~2~ O~9~ molybdenum(V)aluminophosphate isostructural with VSiP~2~O~9~","Zeitschrift fuer Kristallographie (149,1979-)","1990","190","","135","142","","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1004064","8.622","0.004","8.622","0.004","5.907","0.003","90","","90","","90","","439.1","","","","","","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","","Palladium dibismuth oxide","","- Bi2 O4 Pd -","- Bi2 O4 Pd -","- Bi8 O16 Pd4 -","4","0.25","","Conflant, P.; Boivin, J. C.; Thomas, D.","Etude de la serie isostructurale M(II)Bi~2~O~4~: PbBi~2~O~4~","Revue de Chimie Minerale","1977","14","","249","255","","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","200126","2020-10-21","18:00:00",""
"1004133","8.765","0.002","8.765","0.002","5.65","0.001","90","","90","","90","","434.1","","","","","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","Platinum bismuth lead oxide (1/1.6/0.4/3.8)","","- Bi1.6 O3.8 Pb0.4 Pt -","- Bi1.6 O3.8 Pb0.4 Pt -","- Bi6.4 O15.2 Pb1.6 Pt4 -","4","0.25","","Boivin, J C; Conflant, P; Thomas, D","Un nouveau compose contanant des chaine lineaires unidirectionnelles d'atomes metalliques. Pt Bi1.6 Pb0.4 O4","Materials Research Bulletin","1976","11","","1503","1510","10.1016/0025-5408(76)90101-X","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1005052","8.2366","0.0004","8.2366","0.0004","12.5731","0.0006","90","","90","","90","","853","","","","","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","Tetracalcium barium bis(dinitrocuprate(I))","","- Ba Ca4 Cu2 N4 -","- Ba Ca4 Cu2 N4 -","- Ba4 Ca16 Cu8 N16 -","4","0.25","","Niewa, R; DiSalvo, F J","Breaking up chains: the nitridocuprates(I) Ba (Cu N), Ba16 ((Cu N)8)(Cu2 N3) (Cu3 N4) and Ca4 Ba (Cu N2)2","Journal of Alloys Compd.","1998","279","","153","160","10.1016/S0925-8388(98)00657-4","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1006028","8.4989","0.0001","8.4989","0.0001","5.7973","0.0001","90","","90","","90","","418.7","","","","1.5","","","","","","","","Synthetic","3","P 4/n c c :2","-P 4a 2ac","130","","Dibismuth copper oxide","Kusachiite","- Bi2 Cu O4 -","- Bi2 Cu O4 -","- Bi8 Cu4 O16 -","4","0.25","","Garcia Munoz, J L; Rodriguez Carvajal, J; Sapina, F; Sanchis, M J; Ibanez, R; Beltran Porter, D","Crystal and magnetic structures of Bi~2~CuO~4~","Journal of Physics: Condensed Matter","1990","2","","2205","2214","10.1088/0953-8984/2/9/010","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1006029","8.4988","0.0001","8.4988","0.0001","5.7976","0.0001","90","","90","","90","","418.8","","","","30","","","","","","","","Synthetic","3","P 4/n c c :2","-P 4a 2ac","130","","Dibismuth copper oxide","Kusachiite","- Bi2 Cu O4 -","- Bi2 Cu O4 -","- Bi8 Cu4 O16 -","4","0.25","","Garcia Munoz, J L; Rodriguez Carvajal, J; Sapina, F; Sanchis, M J; Ibanez, R; Beltran Porter, D","Crystal and magnetic structures of Bi~2~CuO~4~","Journal of Physics: Condensed Matter","1990","2","","2205","2214","10.1088/0953-8984/2/9/010","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1006030","8.4987","0.0001","8.4987","0.0001","5.7999","0.0001","90","","90","","90","","418.9","","","","75","","","","","","","","Synthetic","3","P 4/n c c :2","-P 4a 2ac","130","","Dibismuth copper oxide","Kusachiite","- Bi2 Cu O4 -","- Bi2 Cu O4 -","- Bi8 Cu4 O16 -","4","0.25","","Garcia Munoz, J L; Rodriguez Carvajal, J; Sapina, F; Sanchis, M J; Ibanez, R; Beltran Porter, D","Crystal and magnetic structures of Bi~2~CuO~4~","Journal of Physics: Condensed Matter","1990","2","","2205","2214","10.1088/0953-8984/2/9/010","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1006031","8.5039","0.0001","8.5039","0.0001","5.8202","0.0001","90","","90","","90","","420.9","","","","290","","","","","","","","Synthetic","3","P 4/n c c :2","-P 4a 2ac","130","","Dibismuth copper oxide","Kusachiite","- Bi2 Cu O4 -","- Bi2 Cu O4 -","- Bi8 Cu4 O16 -","4","0.25","","Garcia Munoz, J L; Rodriguez Carvajal, J; Sapina, F; Sanchis, M J; Ibanez, R; Beltran Porter, D","Crystal and magnetic structures of Bi~2~CuO~4~","Journal of Physics: Condensed Matter","1990","2","","2205","2214","10.1088/0953-8984/2/9/010","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1507224","10.9203","0.0008","10.9203","0.0008","14.658","0.004","90","","90","","90","","1748","0.5","298.1","","","","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C8 H10 N8 O5 Sm W -","- C8 N8 O5 Sm W -","- C32 N32 O20 Sm4 W4 -","4","0.25","","Hozumi, Toshiya; Ohkoshi, Shin-ichi; Arimoto, Yoichi; Seino, Hidetake; Mizobe, Yasushi; Hashimoto, Kazuhito","Cooling-rate Dependent Ferromagnetism in a Two-dimensional Cyano-bridged Sm(III)-W(V) Complex","The Journal of Physical Chemistry B","2003","107","42","11571","","10.1021/jp0356057","","","0.7107","MoKα","","","0.037","","","","0.132","","","","","","0.976","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510605","8.6703","","8.6703","","6.0301","","90","","90","","90","","453.307","","","","","","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","","Bi2 (Au O5)","","- Au Bi2 O5 -","- Au Bi2 O5 -","- Au4 Bi8 O20 -","4","0.25","","Jansen, M.; Geb, J.","Bi2 Au O5 and Bi4 Au2 O9, two novel ternary oxoaurates","Journal of Solid State Chemistry","1996","122","","364","370","10.1006/jssc.1996.0128","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513720","42.289","0.0006","42.289","0.0006","31.7707","0.0007","90","","90","","90","","56817.4","1.7","150","2","150","2","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C359 H630 Cr28 Cu4 F32 N4 Ni4 O141 -","- C359 H626 Cr28 Cu4 F32 N4 Ni4 O141 -","- C1436 H2504 Cr112 Cu16 F128 N16 Ni16 O564 -","4","0.25","","Whitehead, George F. S.; Ferrando-Soria, Jesùs; Christie, Lorna G.; Chilton, Nicholas F.; Timco, Grigore A.; Moro, Fabrizio; Winpenny, Richard E. P.","The acid test: the chemistry of carboxylic acid functionalised {Cr7Ni} rings","Chemical Science","2014","5","1","235","","10.1039/c3sc52095a","","","0.6889","synchrotron","","0.1175","0.0873","","","0.2448","0.2821","","","","","","1.055","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1521532","5.2885","","5.2885","","7.8626","","90","","90","","90","","219.903","","","","","","","","","","","","","2","P 4/n c c :2","-P 4a 2ac","130","","W O3","","- O3 W -","- O3 W -","- O12 W4 -","4","0.25","","Locherer, K.R.; Swainson, I.P.; Salje, E.K.H.","Transition to a new tetragonal phase of W O3 : crystal structure and distortion parameters","Journal of Physics: Condensed Matter","1999","11","","4143","4156","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521836","6.9091","","6.9091","","5.6305","","90","","90","","90","","268.776","","","","","","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","","Zr2 Co D5","","- Co D5 Zr2 -","- Co D5 Zr2 -","- Co4 D20 Zr8 -","4","0.25","","Riabov, A.B.; Yartys', V.A.; Sorby, M.H.; Hauback, B.C.; Fjellvag, H.","Neutron diffraction studies of Zr-containing intermetallic hydrides with ordered hydrogen sublattice. V. Orthorhombic Zr3 Co D6.9 with filled (Re3 B)-type structure","Journal of Alloys Compd.","2000","296","","312","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525747","8.4726","","8.4726","","16.443","","90","","90","","90","","1180.36","","","","","","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","","Ba5 Si3 F0.16","","- Ba5 F0.16 Si3 -","- Ba5 F0.16 Si3 -","- Ba20 F0.64 Si12 -","4","0.25","","Leon-Escamilla, E.A.; Corbett, J.D.","Hydrogen impurity effects, A5 Tt3 intermetallic compounds between A= Ca, Sr, Ba, Eu and Tt = Si, Ge, Sn with (Cr5 B3)-like structures that are stable both as binary and as ternary hydride and fluoride phases","Journal of Solid State Chemistry","2001","159","","149","162","","","","","","","","","","","","","","","","","","","","","","has coordinates","146795","2020-10-21","18:00:00",""
"1529844","8.305","","8.305","","12.647","","90","","90","","90","","872.302","","","","","","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","","Tl4 Sn S3","","- S3 Sn Tl4 -","- S3 Sn Tl4 -","- S12 Sn4 Tl16 -","4","0.25","","del Bucchia, S.; Jumas, J.C.; Philippot, E.; Maurin, M.","Etude dans le systeme (Sn S)-(Tl2 S). Structure cristalline de Tl4 Sn S3","Revue de Chimie Minerale","1981","18","","224","234","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530296","8.953","","8.953","","7.965","","90","","90","","90","","638.444","","","","","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","(V O) (H2 P O4)2","","- H4 O9 P2 V -","- H4 O9 P2 V -","- H16 O36 P8 V4 -","4","0.25","","Linde, S.A.; Gorbunova, Yu.E.; Lavrov, A.V.; Kuznetsov, V.G.","The crystal structure of the vanadyl acid orthophospate V O (H2 P O4)2","Doklady Akademii Nauk SSSR","1979","244","","1411","1414","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530730","9.584","","9.584","","7.486","","90","","90","","90","","687.612","","","","","","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","","Na2 Pd Cl4","","- Cl4 Na2 Pd -","- Cl4 Na2 Pd -","- Cl16 Na8 Pd4 -","4","0.25","","Schroeder, L.; Keller, H.L.","Darstellung und Kristallstruktur von Na2 Pd Cl4","Journal of the Less-Common Metals","1989","153","","35","41","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535943","8.9962","","8.9962","","26.521","","90","","90","","90","","2146.39","","","","","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","Pr2 (Mo6 O21) (H2 O)","","- H2 Mo6 O22 Pr2 -","- Mo6 O22 Pr2 -","- Mo24 O88 Pr8 -","4","0.25","","Naruke, H.; Yamase, T.","The crystal structure of the monohydrate R2 Mo6 O21 * H2 O (R= Pr, Nd, Sm, and Eu): a layer structure containing disordered [Mo2 O7]2- groups","Journal of Solid State Chemistry","2005","178","","702","708","","","","","","","","","","","","","","","","","","","","","","has coordinates","163452","2020-10-21","18:00:00",""
"1536239","8.59","","8.59","","12.398","","90","","90","","90","","914.825","","","","","","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","","La5 B1.764 C6.156","","- C6.156 B1.764 La5 -","- C6.156 B1.764 La5 -","- C24.624 B7.056 La20 -","4","0.25","","Oeckler, O.; Bauer, J.; Mattausch, H.J.; Simon, A.","Ueber die Kristallstruktur der Phase La5 B2 C6","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","779","788","","","","","","","","","","","","","","","","","","","","","","has coordinates","163876","2020-10-21","18:00:00",""
"1539608","8.4875","","8.4875","","5.7901","","90","","90","","90","","417.105","","","","","","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","","","","- Bi2 Cu O4 -","- Bi2 Cu O4 -","- Bi8 Cu4 O16 -","4","0.25","","Attfield, J.P.","Exchange striction and exchange constants in Bi2 Cu O4","Journal of Physics: Condensed Matter","1989","1","","7045","7053","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1551729","16.275","0.003","16.275","0.003","23.955","0.006","90","","90","","90","","6345","2","293","2","293","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","[Rh2(form)4(CH3CN)]2H2O","","- C62 H67 N9 O2 Rh2 -","- C62 H63 N9 O2 Rh2 -","- C248 H252 N36 O8 Rh8 -","4","0.25","","HANDA, Makoto; YASUDA, Motoi; YOSHIOKA, Daisuke; IKEUE, Takahisa; MIKURIYA, Masahiro","Crystal Structure of Rhodium(II) Formamidinate Dimer with an Axial Acetonitrile Molecule","X-ray Structure Analysis Online","2011","27","","15","","10.2116/xraystruct.27.15","","","0.71073","MoKα","","0.0763","0.0437","","","0.1402","0.1605","","","","","","0.978","","","","has coordinates","216341","2020-10-21","18:00:00",""
"1552014","4.9826","","4.9826","","9.9548","","90","","90","","90","","247.141","","","","","","","","","","","","","2","P 4/n c c :2","-P 4a 2ac","130","","","","- O5 Xe2 -","- O5 Xe2 -","- O20 Xe8 -","4","0.25","","Agnes Dewaele; Nicholas Worth; Chris J. Pickard; Richard J. Needs; Sakura Pascarelli; Olivier Mathon; Mohamed Mezouar; Tetsuo Irifune","Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure","Nature Chemistry","2016","8","","784","790","10.1038/nchem.2528","","","","","","","","","","","","","","","","","","","","","has coordinates","216823","2020-10-21","18:00:00",""
"1553063","18.4165","0.0003","18.4165","0.0003","27.9044","0.0007","90","","90","","90","","9464.3","0.3","123.01","0.1","123.01","0.1","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C77 H89 Br4 Cl3 F8 I4 N4 O8 -","- C76.74 H88.24 Br4 Cl2.22 F8 I4 N4 O8 -","- C306.96 H352.96 Br16 Cl8.88 F32 I16 N16 O32 -","4","0.25","","Beyeh, N. Kodiah; Valkonen, Arto; Bhowmik, Sandip; Pan, Fangfang; Rissanen, K.","N-Alkyl ammonium resorcinarene salts: multivalent halogen-bonded deep-cavity cavitands","Organic Chemistry Frontiers","2015","2","4","340","","10.1039/C4QO00326H","","x-ray","1.54184","CuKα","","0.1264","0.1053","","","0.3","0.3286","","","","","","1.015","","","","has coordinates,has disorder","233014","2020-10-21","18:00:00",""
"1562566","7.4968","0.0004","7.4968","0.0004","13.6302","0.0009","90","","90","","90","","766.04","0.08","100","2","100","2","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","thorium germanium selenide","dithorium(IV) germanium(II) pentaselenide","","- Ge Se5 Th2 -","- Ge Se5 Th2 -","- Ge4 Se20 Th8 -","4","0.25","","Koscielski, Lukasz A.; Malliakas, Christos D.; Sarjeant, Amy A.; Ibers, James A.","The synthesis, single-crystal structure, optical absorption, and resistivity of Th2GeSe5","Journal of Solid State Chemistry","2013","205","","35","38","10.1016/j.jssc.2013.06.031","","","0.71073","MoKα","","0.0339","0.0261","","","0.0635","0.0648","","","","","","1.611","","","","has coordinates","265257","2021-05-17","06:49:01",""
"1566278","29.7978","0.0004","29.7978","0.0004","27.541","0.0019","90","","90","","90","","24453.9","1.7","85","2","85","2","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C187 H120 F9 N62 Nd O57.5 S3 Zn16 -","- C185 H120 F3 N56 Nd O51.5 S Zn16 -","- C740 H480 F12 N224 Nd4 O206 S4 Zn64 -","4","0.25","","Eliseeva, Svetlana V.; Nguyen, Tu N.; Kampf, Jeff W.; Trivedi, Evan R.; Pecoraro, Vincent L.; Petoud, Stéphane","Tuning the photophysical properties of lanthanide(iii)/zinc(ii) 'encapsulated sandwich' metallacrowns emitting in the near-infrared range.","Chemical science","2022","13","10","2919","2931","10.1039/d1sc06769a","","","1.54184","CuKα","","0.0572","0.055","","","0.1902","0.1943","","","","","","1.05","","","","has coordinates,has disorder","274968","2022-05-05","20:28:05",""
"1566279","30.0778","0.0004","30.0778","0.0004","26.9277","0.0019","90","","90","","90","","24360.8","1.8","85","2","85","2","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C187 H124.5 F9 N56 O47 S3 Yb Zn16 -","- C185 H120 F3 N56 O44 S Yb Zn16 -","- C740 H480 F12 N224 O176 S4 Yb4 Zn64 -","4","0.25","","Eliseeva, Svetlana V.; Nguyen, Tu N.; Kampf, Jeff W.; Trivedi, Evan R.; Pecoraro, Vincent L.; Petoud, Stéphane","Tuning the photophysical properties of lanthanide(iii)/zinc(ii) 'encapsulated sandwich' metallacrowns emitting in the near-infrared range.","Chemical science","2022","13","10","2919","2931","10.1039/d1sc06769a","","","1.54178","CuKα","","0.0768","0.0687","","","0.2087","0.2193","","","","","","1.045","","","","has coordinates,has disorder","274968","2022-05-05","20:28:05",""
"1568062","29.489","0.007","29.489","","20.678","0.005","90","","90","","90","","17982","6","150","2","150","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","μ-Oxo-bis[(octacosafluoro-meso-tetraphenylporphyrinato)iron(III)]","","- C88 H4 F56 Fe2 N8 O3 -","- C88 F56 Fe2 N8 O3 -","- C704 F448 Fe16 N64 O24 -","8","0.5","","Schuh, Tristan; Kataeva, Olga; Knölker, Hans-Joachim","μ-Oxo-bis[(octacosafluoro-<i>meso</i>-tetraphenylporphyrinato)iron(iii)] - synthesis, crystal structure, and catalytic activity in oxidation reactions.","Chemical science","2023","14","2","257","265","10.1039/d2sc06083c","","","0.71073","MoKα","","0.0656","0.0461","","","0.1364","0.1568","","","","","","1.076","","","","has coordinates","283160","2023-05-05","01:03:00",""
"1570509","22.024","0.002","22.024","0.002","21.509","0.002","90","","90","","90","","10433.1","1.7","90","2","90","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C112 H116 Cl13 N13 O12 Pt4 -","- C108 H112 Cl N13 O12 Pt4 -","- C432 H448 Cl4 N52 O48 Pt16 -","4","0.25","","Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu","Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.","Chemical science","2024","15","3","964","973","10.1039/d3sc04564a","","","0.81082","Synchrotron","","0.136","0.1029","","","0.2296","0.2525","","","","","","1.173","","","","has coordinates","289429","2024-02-04","11:34:40",""
"1571027","25.3294","0.0009","25.3294","0.0009","25.1795","0.0014","90","","90","","90","","16154.6","1.2","173.15","","173.15","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C173 H162 B8 Mo4 N38 -","- C173 H162 B8 Mo4 N38 -","- C692.002 H648 B32 Mo16 N152 -","4","0.25","","Almquist, C. Christopher; Rajeshkumar, Thayalan; Jayaweera, H. D. A. Chathumal; Removski, Nicole; Zhou, Wen; Gelfand, Benjamin S.; Maron, Laurent; Piers, Warren E.","Oxidation-induced ambiphilicity triggers N-N bond formation and dinitrogen release in octahedral terminal molybdenum(v) nitrido complexes.","Chemical science","2024","15","14","5152","5162","10.1039/d4sc00090k","","","1.54178","CuKα","","0.0463","0.0347","","","0.085","0.0935","","","","","","1.084","","","","has coordinates,has disorder","291576","2024-05-05","01:53:03",""
"2003510","14.203","0.006","14.203","0.006","22.447","0.004","90","","90","","90","","4528","3","293","2","","","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C12 H30 Cl2 Co2 N6 O14 -","- C12 H30 Cl2 Co2 N6 O20.5 -","- C96 H240 Cl16 Co16 N48 O164 -","8","0.5","AB1161","Chen, M.-Q.; Liu, J.; Mao, Z.-W.; Hang, Q.-W.; Tang, W.-X.","Bis(diethylenetriamine-<i>N</i>'-acetato)-di-μ-hydroxo-dicobalt(III) Perchlorate","Acta Crystallographica Section C","1995","51","6","1080","1082","10.1107/S0108270194013387","","","0.7093","MoKα","","","0.051","","","0.047","","","","","4.149","4.149","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006048","10.825","0.003","10.825","0.003","10.184","0.006","90","","90","","90","","1193.4","0.8","293","2","293","2","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","Cerium Sodium Diarsenate","","- As4 Ce Na4 O14 -","- As4 Ce Na4 O14 -","- As16 Ce4 Na16 O56 -","4","0.25","DU1161","Belam, W.; Boughzala, H.; Jouini, T.","Na~4~Ce(As~2~O~7~)~2~","Acta Crystallographica Section C","1997","53","4","397","399","10.1107/S0108270196007226","","","0.71069","MoKα","","0.0398","0.0262","","0.0579","0.0548","","","","1.277","1.362","1.362","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2012207","12.3273","0.0017","12.3273","0.0017","17.705","0.004","90","","90","","90","","2690.5","0.8","150","2","150","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","tetra(2-amino-5-ethyl-1,3,4-thiadiazole-N)chlorocopper(II) chloride","","- C16 H28 Cl2 Cu N12 S4 -","- C16 H28 Cl2 Cu N12 S4 -","- C64 H112 Cl8 Cu4 N48 S16 -","4","0.25","GG1063","Lynch, Daniel E.; Ewington, Jonathan","Tetrakis(2-amino-5-methyl-1,3,4-thiadiazole-<i>N</i>^3^)chlorocopper(II) chloride monohydrate and tetrakis(2-amino-5-ethyl-1,3,4-thiadiazole-<i>N</i>^3^)chlorocopper(II) chloride","Acta Crystallographica Section C","2001","57","9","1032","1035","10.1107/S0108270101009489","","","0.71073","MoKα","","0.041","0.0322","","","","0.088","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015028","7.8026","0.0005","7.8026","0.0005","14.188","0.0009","90","","90","","90","","863.77","0.1","293","2","293","2","","","","","","","","2","P 4/n c c :2","-P 4a 2ac","130","","pentasamarium trigallium","","- Ga3 Sm5 -","- Ga3 Sm5 -","- Ga12 Sm20 -","4","0.25","IZ1058","Feng, Guo-Hua; Lacroix-Orio, Laurence; Tillard, Monique; Belin, Claude","Sm~5~Ga~3~","Acta Crystallographica Section C","2005","61","7","i71","i72","10.1107/S0108270105017324","","","0.71073","MoKα","","0.026","0.026","","","0.0554","0.0554","","","","","","1.519","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2022723","14.394","0.0002","14.394","0.0002","40.6538","0.0008","90","","90","","90","","8422.9","0.2","93.15","","93.15","","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","Bis[octakis(dimethyl sulfoxide-κ<i>O</i>)ytterbium(III)] pentabromidoplumbate(II) tribromide dimethyl sulfoxide monosolvate","","- C17 H51 Br4 O8.5 Pb0.5 S8.5 Yb -","- C17 H51 Br4 O8.5 Pb0.5 S8.5 Yb -","- C136 H408 Br32 O68 Pb4 S68 Yb8 -","8","0.5","TX2065","Kinoshita, Takumi; Fukumoto, Kanna; Segawa, Hiroshi","Crystal structure of bis-[octa-kis-(di-methyl sulfoxide-κ<i>O</i>)-ytterbium(III)] penta-bromido-plumbate(II) tribromide di-methyl sulfoxide monosolvate: a ytterbium-doped lead halide perovskite precursor.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","402","405","10.1107/S2056989023002852","","","1.54184","CuKα","","0.0883","0.0803","","","0.2103","0.2253","","","","","","1.081","","","","has coordinates,has disorder,has Fobs","283584","2023-05-06","10:46:08",""
"2106494","6.206","","6.206","","12.94","","90","","90","","90","","498.377","","","","","","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","","Li3 Th F7","","- F7 Li3 Th -","- F7 Li3 Th -","- F28 Li12 Th4 -","4","0.25","","Cousson, A.; Pages, M.; Chevalier, R.","The crystal structure of Li3 Th F7","Acta Crystallographica B (24,1968-38,1982)","1978","34","","1776","1778","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106511","7.776","","7.776","","49.86","","90","","90","","90","","3014.84","","","","","","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","","","","- Ba5 Fe9 S18 -","- Ba5 Fe9 S18 -","- Ba20 Fe36 S72 -","4","0.25","","Grey, I.E.","The structure of Ba5 Fe9 S18","Acta Crystallographica B (24,1968-38,1982)","1975","31","","45","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2208893","17.3368","0.0003","17.3368","0.0003","18.8696","0.0004","90","","90","","90","","5671.53","0.18","120","2","120","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","Di-μ-pyridyl-1:2κ^2^N:C^2^;2:1κ^2^N:C^2^-μ-tetrahydrofuran-κ^2^O:O- bis[bromo(tetrahydrofuran)magnesium(II)] tetrahydrofuran hemisolvate","","- C24 H36 Br2 Mg2 N2 O3.5 -","- C24 H36 Br2 Mg2 N2 O3.5 -","- C192 H288 Br16 Mg16 N16 O28 -","8","0.5","HB2034","Churakov, Andrei V.; Krut'ko, Dmitry P.; Borzov, Maxim V.; Kirsanov, Roman S.; Belov, Sergei A.; Howard, Judith A. K.","Di-μ-pyridyl-1:2κ^2^<i>N</i>:<i>C</i>^2^;2:1κ^2^<i>N</i>:<i>C</i>^2^-μ-tetrahydrofuran-κ^2^<i>O</i>:<i>O</i>-bis[bromo(tetrahydrofuran)magnesium(II)] tetrahydrofuran hemisolvate","Acta Crystallographica Section E","2006","62","5","m1094","m1096","10.1107/S1600536806013742","","","0.71073","MoKα","","0.0799","0.039","","","0.0771","0.0852","","","","","","0.999","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2229798","18.069","0.003","18.069","0.003","18.919","0.004","90","","90","","90","","6177","2","180","2","180","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","Chlorido{5,10,15,20-tetrakis[2-(2,2-dimethylpropanamido)phenyl]porphyrinato-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''}iron(III) chlorobenzene hemisolvate monohydrate","","- C67 H68.5 Cl1.5 Fe N8 O7 -","- C64 H64 Cl Fe N8 O4 -","- C256 H256 Cl4 Fe4 N32 O16 -","4","0.25","PV2389","Dhifet, Mondher; Belkhiria, Mohamed Salah; Daran, Jean-Claude; Nasri, Habib","Chlorido{5,10,15,20-tetrakis[2-(2,2-dimethylpropanamido)phenyl]porphyrinato-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''}iron(III) chlorobenzene hemisolvate monohydrate","Acta Crystallographica Section E","2011","67","4","m460","m461","10.1107/S1600536811009299","","","0.71073","MoKα","","0.0842","0.0595","","","0.169","0.1798","","","","","","1.074","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2232495","17.632","0.004","17.632","0.004","20.955","0.003","90","","90","","90","","6515","2","122","1","122","1","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","Cr-F-Nd square","<i>cyclo</i>-Tetra-μ-fluorido-1:2κ^2^<i>F</i>;2:3κ^2^<i>F</i>; 3:4κ^2^<i>F</i>;1:4κ^2^<i>F</i>-octanitrato-1κ^8^<i>O</i>,<i>O</i>'; 3κ^8^<i>O</i>,<i>O</i>'-tetrakis(1,10-phenanthroline)- 2κ^4^<i>N</i>,<i>N</i>';4κ^4^<i>N</i>,<i>N</i>'-2,4-dichromium(III)- 1,3-dineodymium(III) methanol tetrasolvate monohydrate","","- C52 H50 Cr2 F4 N16 Nd2 O29 -","- C52 H48 Cr2 F4 N16 Nd2 O29 -","- C208 H192 Cr8 F16 N64 Nd8 O116 -","4","0.25","WM2538","Birk, Torben; Schau-Magnussen, Magnus; Weyhermüller, Thomas; Bendix, Jesper","<i>cyclo</i>-Tetra-μ-fluorido-1:2κ^2^<i>F</i>;2:3κ^2^<i>F</i>;3:4κ^2^<i>F</i>;1:4κ^2^<i>F</i>-octanitrato-1κ^8^<i>O</i>,<i>O</i>';3κ^8^<i>O</i>,<i>O</i>'-tetrakis(1,10-phenanthroline)-2κ^4^<i>N</i>,<i>N</i>';4κ^4^<i>N</i>,<i>N</i>'-2,4-dichromium(III)-1,3-dineodymium(III) methanol tetrasolvate monohydrate","Acta Crystallographica Section E","2011","67","11","m1561","m1562","10.1107/S1600536811042383","","","0.71073","MoKα","","0.067","0.0357","","","0.0749","0.1024","","","","","","1.265","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"4000509","16.3569","0.0003","16.3569","0.0003","36.1381","0.0015","90","","90","","90","","9668.7","0.5","294","2","294","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C26 H61.5 K0.5 N4 O26 P4 V5 -","- C26 H54 K0.5 N4 O26 P4 V5 -","- C208 H432 K4 N32 O208 P32 V40 -","8","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm050185e","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000518","11.4513","0.0007","11.4513","0.0007","20.071","0.003","90","","90","","90","","2632","0.5","175","5","175","5","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","Thallium Gold Tin Selenide","","","- Au Se3 Sn Tl -","- Au Se3 Sn Tl -","- Au16 Se48 Sn16 Tl16 -","16","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm050412c","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001112","6.951343","0.000033","6.951343","","10.76111","0.00006","90","","90","","90","","519.989","0.004","","","","","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","","","","- O5 Si Sr3 -","- O5 Si Sr3 -","- O20 Si4 Sr12 -","4","0.25","","Porras-Vázquez, José M.; Losilla, Enrique R.; León-Reina, Laura; Martínez-Lara, María; Aranda, Miguel A. G.","Synthesis and Characterization of a New Family of Mixed Oxide−Proton Conductors Based on Tristrontium Oxysilicate","Chemistry of Materials","2008","20","5","2026","","10.1021/cm703079d","powder diffraction","","","","","","","","","","","","","2.27","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001113","6.9427","0.00014","6.9427","","10.79916","0.00025","90","","90","","90","","520.531","0.016","","","","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- Al0.04 O4.98 Si0.96 Sr3 -","- Al0.038 O4.981 Si0.962 Sr3 -","- Al0.152 O19.924 Si3.848 Sr12 -","4","0.25","","Porras-Vázquez, José M.; Losilla, Enrique R.; León-Reina, Laura; Martínez-Lara, María; Aranda, Miguel A. G.","Synthesis and Characterization of a New Family of Mixed Oxide−Proton Conductors Based on Tristrontium Oxysilicate","Chemistry of Materials","2008","20","5","2026","","10.1021/cm703079d","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002225","8.167","","8.167","","19.724","","90","","90","","90","","1315.59","","","","","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","K2 (Mn Sn2 Se6)","","- K2 Mn Se6 Sn2 -","- K2 Mn Se6 Sn2 -","- K8 Mn4 Se24 Sn8 -","4","0.25","","Chen, X.; Huang, X.-Y.; Fu, A.-H.; Li, J.; Zhang, L.-D.; Guo, H.-Y.","From 1D chain to 3D network: syntheses, structures, and 1D properties of K2 Mn Sn2 Se6, K2 Mn Sn Se4, and K2 Ag2 Sn Se4","Chemistry of Materials (1,1989-)","2000","12","","2385","2391","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002330","8.58","","8.58","","5.788","","90","","90","","90","","426.092","","","","","","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","","","","- Bi2.08 Cu0.84 O4 -","- Bi2.08 Cu0.84 O4 -","- Bi8.32 Cu3.36 O16 -","4","0.25","","Henry, N.; Mentre, O.; Boivin, J.C.; Abraham, F.","Local perturbation in Bi2 Cu O4: hydrothermal synthesis, crystal structure and characterization of the new Bi2 (Cu1-2x Mx) O4 (M = Bi, Pb)","Chemistry of Materials (1,1989-)","2001","13","","543","551","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4002331","8.535","","8.535","","5.812","","90","","90","","90","","423.382","","","","","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","Bi2 Pb0.04 Cu0.92 O4","","- Bi2 Cu0.92 O4 Pb0.04 -","- Bi2 Cu0.92 O4 Pb0.04 -","- Bi8 Cu3.68 O16 Pb0.16 -","4","0.25","","Henry, N.; Boivin, J.C.; Mentre, O.; Abraham, F.","Local perturbation in Bi2 Cu O4: hydrothermal synthesis, crystal structure and characterization of the new Bi2 (Cu1-2x Mx) O4 (M = Bi, Pb)","Chemistry of Materials (1,1989-)","2001","13","","543","551","","","","","","","","","","","","","","","","","","","","","","has coordinates","147470","2020-10-21","18:00:00",""
"4025194","17.896","0.003","17.896","0.003","16.855","0.003","90","","90","","90","","5398.1","1.6","173","2","173","2","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- C48 H44 N12 O4 -","- C48 H44 N12 O4 -","- C192 H176 N48 O16 -","4","0.25","","Li-Xia Wang; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis and Highly Selective Bromination of Azacalix[4]pyrimidine Macrocycles","Journal of Organic Chemistry","2010","75","","741","747","10.1021/jo902245q","","","0.71073","MoKα","","0.0916","0.0856","","","0.1732","0.1764","","","","","","1.251","","","","has coordinates,has disorder","178430","2020-10-21","18:00:00",""
"4029559","16.951","0.003","16.951","0.003","20.365","0.007","90","","90","","90","","5852","2","173","1","173","1","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- C62 H91 N O8 -","- C62 H88 N O8 -","- C248 H352 N4 O32 -","4","0.25","","Columbus, Ishay; Biali, Silvio E.","Calix[4]arene derivatives monosubstituted at all four methylene bridges.","The Journal of organic chemistry","2008","73","7","2598","2606","10.1021/jo702474n","","","0.71073","MoKα","","0.0931","0.0892","","","0.2062","0.2087","","","","","","1.277","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030420","9.1363","0.0004","9.1363","0.0004","8.1492","0.0005","90","","90","","90","","680.23","0.06","","","293","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- As2 H4 O9 V -","- As2 H4 O9 V -","- As8 H16 O36 V4 -","4","0.25","","Amoros, P.; Beltran-Porter, A.; Villeneuve, G.; Beltran-Porter, D.","Vanadyl dihydrogenoarsenate, VO(H2AsO4)2 : crystal structure and superexchange pathways","European Journal of Solid State and Inorganic Chemistry","1992","29","","257","272","","powder diffraction","x-ray","1.542","CuKα","","","","","","","","","0.0408","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060099","23.7164","0.0009","23.7164","0.0009","49.973","0.004","90","","90","","90","","28108","3","223","2","223","2","","","","","","","","9","P 4/n c c :2","-P 4a 2ac","130","","","","- C32 H52 Cl0 Cu2 F12 O0.67 P2 Ru2 S6 -","- C32 H52 Cu2 F12 O0.666667 P2 Ru2 S6 -","- C768 H1248 Cu48 F288 O16 P48 Ru48 S144 -","24","1.5","","","","Organometallics","2005","","","","","10.1021/om0491950","","","0.71073","MoKα","","0.1548","0.0864","","","0.2372","0.2798","","","","","","1.009","","","","has coordinates,has disorder","178489","2020-10-21","18:00:00",""
"4062906","20.506","0.003","20.506","0.003","7.0245","0.0014","90","","90","","90","","2953.8","0.8","180","2","180","2","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- C15 H12 Cu3 N3 -","- C15 H12 Cu3 N3 -","- C120 H96 Cu24 N24 -","8","0.5","","","","Organometallics","2004","","","","","10.1021/om049749z","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178525","2020-10-21","18:00:00",""
"4074994","25.909","0.003","25.909","0.003","18.352","0.004","90","","90","","90","","12319","3","293","2","293","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C67 H55 Ir N2 O2 -","- C67 H55 Ir N2 O2 -","- C536 H440 Ir8 N16 O16 -","8","0.5","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.","Synthesis and Structural Characterization of a Series of Novel Polyaromatic Ligands Containing Pyrene and Related Biscyclometalated Iridium(III) Complexes","Organometallics","2006","25","6","1461","1471","10.1021/om0510775","","","0.71073","MoKα","","0.0964","0.0396","","","0.0858","0.0998","","","","","","1.081","","","","has coordinates","209813","2020-10-21","18:00:00",""
"4100255","15.5378","0.0012","15.5378","0.0012","27.043","0.004","90","","90","","90","","6528.9","1.2","27","2","27","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C58 H43 Cl17 N8 O0.5 Ru2 -","- C58 H43 Cl17 N8 O0.5 Ru2 -","- C232 H172 Cl68 N32 O2 Ru8 -","4","0.25","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100256","15.7834","0.0005","15.7834","0.0005","27.0879","0.0017","90","","90","","90","","6748","0.5","300","2","300","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C58 H43 Cl17 N8 O0.5 Ru2 -","- C58 H43 Cl17 N8 O0.5 Ru2 -","- C232 H172 Cl68 N32 O2 Ru8 -","4","0.25","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101883","20.4851","0.0012","20.4851","0.0012","29.203","0.002","90","","90","","90","","12254.7","1.3","293","2","293","2","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C24 H56 K2 Mo4 N4 Na2 O42 S4 -","- C24 H24 K Mo4 N4 O32 S4 -","- C192 H192 K8 Mo32 N32 O256 S32 -","8","0.5","","Sylvain Duval; Sébastien Floquet; Corine Simonnet-Jégat; Jérôme Marrot; Rosa Ngo Biboum; Bineta Keita; Louis Nadjo; Mohamed Haouas; Francis Taulelle; Emmanuel Cadot","Capture of the [Mo~3~S~4~]^4+^ Cluster within a {Mo~18~} Macrocycle Yielding a Supramolecular Assembly Stabilized by a Dynamic H-Bond Network","Journal of the American Chemical Society","2010","132","","2069","2077","10.1021/ja909762p","","","0.71073","MoKα","","0.12","0.0691","","","0.2074","0.2486","","","","","","1.099","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104951","14.6829","0.001","14.6829","0.001","17.92","0.003","90","","90","","90","","3863.3","0.7","200","2","200","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","SCOF-2(Acn)as","","","- C34 H32 Fe N8 O4 S2 -","- C34 H32 Fe N8 O4 S2 -","- C136 H128 Fe4 N32 O16 S8 -","4","0.25","","Suzanne M. Neville; Gregory J. Halder; Karena W. Chapman; Martin B. Duriska; Boujemaa Moubaraki; Keith S. Murray; Cameron J. Kepert","Guest Tunable Structure and Spin Crossover Properties in a Nanoporous Coordination Framework Material","Journal of the American Chemical Society","2009","131","","12106","12108","10.1021/ja905360g","","","0.71073","MoKα","","0.1699","0.0779","","","0.204","0.3215","","","","","","1.092","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104952","14.639","0.005","14.639","0.005","17.851","0.012","90","","90","","90","","3825","3","200","2","200","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","SCOF-2(Et)as","","","- C36 H32 Fe N6 O7 S2 -","- C36 H32 Fe N6 O7 S2 -","- C144 H128 Fe4 N24 O28 S8 -","4","0.25","","Suzanne M. Neville; Gregory J. Halder; Karena W. Chapman; Martin B. Duriska; Boujemaa Moubaraki; Keith S. Murray; Cameron J. Kepert","Guest Tunable Structure and Spin Crossover Properties in a Nanoporous Coordination Framework Material","Journal of the American Chemical Society","2009","131","","12106","12108","10.1021/ja905360g","","","0.71073","MoKα","","0.1918","0.088","","","0.2308","0.3644","","","","","","1.133","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104953","14.675","0.003","14.675","0.003","17.984","0.007","90","","90","","90","","3873","1.9","200","2","200","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","SCOF-2(Me)as","","","- C33 H32 Fe N6 O7 S2 -","- C33 H32 Fe N6 O7 S2 -","- C132 H128 Fe4 N24 O28 S8 -","4","0.25","","Suzanne M. Neville; Gregory J. Halder; Karena W. Chapman; Martin B. Duriska; Boujemaa Moubaraki; Keith S. Murray; Cameron J. Kepert","Guest Tunable Structure and Spin Crossover Properties in a Nanoporous Coordination Framework Material","Journal of the American Chemical Society","2009","131","","12106","12108","10.1021/ja905360g","","","0.71073","MoKα","","0.1852","0.079","","","0.191","0.3054","","","","","","1.11","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104954","14.726","0.001","14.726","0.001","17.899","0.003","90","","90","","90","","3881.5","0.7","220","2","220","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","SCOF-2(Pr)as","","","- C33 H32 Fe N6 O5 S2 -","- C33 H32 Fe N6 O5 S2 -","- C132 H128 Fe4 N24 O20 S8 -","4","0.25","","Suzanne M. Neville; Gregory J. Halder; Karena W. Chapman; Martin B. Duriska; Boujemaa Moubaraki; Keith S. Murray; Cameron J. Kepert","Guest Tunable Structure and Spin Crossover Properties in a Nanoporous Coordination Framework Material","Journal of the American Chemical Society","2009","131","","12106","12108","10.1021/ja905360g","","","0.71073","MoKα","","0.1516","0.0806","","","0.2323","0.3396","","","","","","1.138","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4108655","48.488","0.007","48.488","","33.48","0.007","90","","90","","90","","78714","2","213","2","213","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C528 H468 Cu8 N64 O32 -","- C528 H468 Cu8 N64 O32 -","- C2112 H1872 Cu32 N256 O128 -","4","0.25","","Jin'an Zhao; Liwei Mi; Jiyong Hu; Hongwei Hou; Yaoting Fan","Cation Exchange Induced Tunable Properties of a Nanoporous Octanuclear Cu(II) Wheel with Double-Helical Structure","Journal of the American Chemical Society","2008","130","","15222","15223","10.1021/ja8007227","","","0.71073","MoKα","","0.1794","0.1009","","","0.2289","0.2711","","","","","","1.278","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108885","25.485","0.004","25.485","0.004","24.7823","0.0018","90","","90","","90","","16096","4","150","2","120","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C36 H44 N4 O12 Ru2 -","- C36 H44 N4 O12 Ru2 -","- C576 H704 N64 O192 Ru32 -","16","1","","Doyel Kumbhakar; Biprajit Sarkar; Somnath Maji; Shaikh M. Mobin; Jan Fiedler; Francisco A. Urbanos; Reyes Jiménez-Aparicio; Wolfgang Kaim; Goutam Kumar Lahiri","Intramolecular Valence and Spin Interaction in meso and rac Diastereomers of a p-Quinonoid-Bridged Diruthenium Complex","Journal of the American Chemical Society","2008","130","","17575","17583","10.1021/ja807043s","","","0.71073","MoKα","","0.1871","0.0589","","","0.0924","0.1256","","","","","","0.805","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4109274","16.0984","0.0019","16.0984","0.0019","20.223","0.005","90","","90","","90","","5241","1.6","100","2","100","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C56 H62 Cl N7 O8 -","- C56.04 H62.12 Cl N7 O8 -","- C224.16 H248.48 Cl4 N28 O32 -","4","0.25","","Guzmán Gil-Ramírez; Jordi Benet-Buchholz; Eduardo C. Escudero-Adán; Pablo Ballester","Solid-State Self-Assembly of a Calix[4]pyrrole-Resorcinarene Hybrid into a Hexameric Cage","Journal of the American Chemical Society","2007","129","","3820","3821","10.1021/ja070037k","","","0.71073","MoKα","","0.1486","0.1344","","","0.3453","0.3678","","","","","","1.198","","","","has coordinates,has disorder","178838","2020-10-21","18:00:00",""
"4111267","17.355","0.001","17.355","0.001","22.74","0.002","90","","90","","90","","6849.2","0.8","213.1","","","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C28 H30 N6 O6 Zn -","- C28 H30 N6 O6 Zn -","- C224 H240 N48 O48 Zn8 -","8","0.5","","Satoru Shimomura; Ryotaro Matsuda; Takashi Tsujino; Takashi Kawamura; Susumu Kitagawa","TCNQ Dianion-Based Coordination Polymer Whose Open Framework Shows Charge-Transfer Type Guest Inclusion","Journal of the American Chemical Society","2006","128","","16416","16417","10.1021/ja0660047","","","0.7107","MoKα","","","0.074","","","","0.081","","","","","","1.087","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111900","15.598","0.0011","15.598","0.0011","27.063","0.004","90","","90","","90","","6584.4","1.2","100","2","100","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","Tetrakis(N,N'-di(3,5-diclorophenyl)formamidinato) chloro diruthenium(II,III) 0.5water hexanes solvate","","- C58 H43 Cl17 N8 O0.5 Ru2 -","- C58 H43 Cl17 N8 O0.5 Ru2 -","- C232 H172 Cl68 N32 O2 Ru8 -","4","0.25","","Wei-Zhong Chen; F. Albert Cotton; Naresh S. Dalal; Carlos A. Murillo; Chris M. Ramsey; Tong Ren; Xiaoping Wang","Proof of Large Positive Zero-Field Splitting in a Ru25+ Paddlewheel","Journal of the American Chemical Society","2005","127","","12691","12696","10.1021/ja053615a","","","0.71073","MoKα","","0.0797","0.0706","","","0.1876","0.1959","","","","","","1.145","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114669","11.08","0.002","11.08","0.002","16.0239","0.0007","90","","90","","90","","1967.2","0.5","298","","","","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C20 H20 Cu F6 N4 O2 Si -","- C20 H16 Cu F6 N4 O2 Si -","- C80 H64 Cu4 F24 N16 O8 Si4 -","4","0.25","","Shin-ichiro Noro; Ryo Kitaura; Mitsuru Kondo; Susumu Kitagawa; Tomohiko Ishii; Hiroyuki Matsuzaka; Masahiro Yamashita","Framework Engineering by Anions and Porous Functionalities of Cu(II)/4,4'-bpy Coordination Polymers","Journal of the American Chemical Society","2002","124","","2568","2583","10.1021/ja0113192","","","0.7107","MoKα","","","0.0544","","","","0.072","","","","","","2.079","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114671","11.146","0.004","11.146","0.004","15.941","0.007","90","","90","","90","","1980.4","1.3","298","","","","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C20 H20 Cu F6 Ge N4 O2 -","- C20 H16 Cu F6 Ge N4 O2 -","- C80 H64 Cu4 F24 Ge4 N16 O8 -","4","0.25","","Shin-ichiro Noro; Ryo Kitaura; Mitsuru Kondo; Susumu Kitagawa; Tomohiko Ishii; Hiroyuki Matsuzaka; Masahiro Yamashita","Framework Engineering by Anions and Porous Functionalities of Cu(II)/4,4'-bpy Coordination Polymers","Journal of the American Chemical Society","2002","124","","2568","2583","10.1021/ja0113192","","","0.7107","MoKα","","","0.0773","","","","0.0953","","","","","","2.664","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114963","17.2489","0.0005","17.2489","0.0005","24.0303","0.0008","90","","90","","90","","7149.6","0.4","150","2","150","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C72 H88 F N5 O8 -","- C72 H88 F N5 O8 -","- C288 H352 F4 N20 O32 -","4","0.25","","Christopher J. Woods; Salvatore Camiolo; Mark E. Light; Simon J. Coles; Michael B. Hursthouse; Michael A. King; Philip A. Gale; Jonathan W. Essex","Fluoride-Selective Binding in a New Deep Cavity Calix[4]pyrrole: Experiment and Theory","Journal of the American Chemical Society","2002","124","","8644","8652","10.1021/ja025572t","","","0.71073","MoKα","","0.1244","0.1126","","","0.3421","0.3517","","","","","","1.503","","","","has coordinates,has disorder","178920","2020-10-21","18:00:00",""
"4115008","14.4878","0.0008","14.4878","0.0008","16.3787","0.0009","90","","90","","90","","3437.8","0.3","213","2","213","2","","","","","","","synthesis","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C28 H48 B Cl F4 Mo2 N12 -","- C28 H48 B Cl F4 Mo2 N12 -","- C112 H192 B4 Cl4 F16 Mo8 N48 -","4","0.25","","F. Albert Cotton; Lee M. Daniels; Carlos A. Murillo; Daren J. Timmons; Chad C. Wilkinson","The Extraordinary Ability of Guanidinate Derivatives to Stabilize Higher Oxidation Numbers in Dimetal Units by Modification of Redox Potentials: Structures of Mo25+ and Mo26+ Compounds","Journal of the American Chemical Society","2002","124","","9249","9256","10.1021/ja0266464","","","0.71073","MoKα","","0.0704","0.0382","","0.1353","0.0973","","","","1.161","1.112","1.112","","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4116641","18.544","0.003","18.544","0.003","24.015","0.004","90","0.02","90","0.02","90","0.02","8258","2","153","5","153","5","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C17 H22.5 O2.5 Se2.25 Sm -","- C17 H20 O2.5 Se2.25 Sm -","- C272 H320 O40 Se36 Sm16 -","16","1","","Deborah Freedman; Safak Sayan; Thomas J. Emge; Mark Croft; John G. Brennan","Heterovalent Clusters: Ln4Se(SePh)8 (Ln4= Sm4, Yb4, Sm2Yb2, Nd2Yb2)","Journal of the American Chemical Society","1999","121","","11713","11719","10.1021/ja991437d","","","0.71073","MoKα","","0.1796","0.0637","","","0.1131","0.1292","","","","","","0.957","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116642","18.289","0.003","18.289","0.003","24.299","0.014","90","0.02","90","0.02","90","0.02","8128","5","153","5","153","5","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C17 H22.5 O2.5 Se2.25 Yb -","- C17 H20 O2.5 Se2.25 Yb -","- C272 H320 O40 Se36 Yb16 -","16","1","","Deborah Freedman; Safak Sayan; Thomas J. Emge; Mark Croft; John G. Brennan","Heterovalent Clusters: Ln4Se(SePh)8 (Ln4= Sm4, Yb4, Sm2Yb2, Nd2Yb2)","Journal of the American Chemical Society","1999","121","","11713","11719","10.1021/ja991437d","","","0.71073","MoKα","","0.1358","0.0569","","","0.1195","0.1341","","","","","","0.991","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116643","18.493","0.003","18.493","0.003","24.172","0.006","90","0.02","90","0.02","90","0.02","8267","3","153","5","153","5","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C17 H22.5 O2.5 Se2.25 Sm0.61 Yb0.39 -","- C17 H22.5 O2.5 Se2.25 Sm0.6 Yb0.4 -","- C272 H360 O40 Se36 Sm9.6 Yb6.4 -","16","1","","Deborah Freedman; Safak Sayan; Thomas J. Emge; Mark Croft; John G. Brennan","Heterovalent Clusters: Ln4Se(SePh)8 (Ln4= Sm4, Yb4, Sm2Yb2, Nd2Yb2)","Journal of the American Chemical Society","1999","121","","11713","11719","10.1021/ja991437d","","","0.71073","MoKα","","0.0744","0.0363","","","0.0733","0.0836","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116644","18.465","0.003","18.465","0.003","24.1","0.006","90","0.02","90","0.02","90","0.02","8217","3","153","5","153","5","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C17 H22.5 Nd0.5 O2.5 Se2.25 Yb0.5 -","- C17 H20 Nd0.548 O2.5 Se2.25 Yb0.452 -","- C272 H320 Nd8.768 O40 Se36 Yb7.232 -","16","1","","Deborah Freedman; Safak Sayan; Thomas J. Emge; Mark Croft; John G. Brennan","Heterovalent Clusters: Ln4Se(SePh)8 (Ln4= Sm4, Yb4, Sm2Yb2, Nd2Yb2)","Journal of the American Chemical Society","1999","121","","11713","11719","10.1021/ja991437d","","","0.71073","MoKα","","0.1618","0.0445","","","0.0554","0.0636","","","","","","0.989","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121070","29.3144","0.0002","29.3144","0.0002","38.4099","0.0004","90","","90","","90","","33006.9","0.5","293","2","293","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C264 H228 N76 Ni14 O12 -","- C264 H228 N76 Ni14 O12 -","- C1056 H912 N304 Ni56 O48 -","4","0.25","","Xiao-Ping Zhou; Yuan Wu; Dan Li","Polyhedral Metal-Imidazolate Cages: Control of Self-Assembly and Cage to Cage Transformation","Journal of the American Chemical Society","2013","135","","16062","16065","10.1021/ja4092984","","","1.54178","CuKα","","0.1172","0.1022","","","0.2982","0.312","","","","","","1.071","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121609","31.918","0.004","31.918","0.004","12.5758","0.0018","90","","90","","90","","12812","3","100","1","100","1","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C21 H47 Mg0.5 N O3 P Pt Si -","- C21 H47 Mg0.5 N O3 P Pt Si -","- C336 H752 Mg8 N16 O48 P16 Pt16 Si16 -","16","1","","Parker, Sarah E.; Börgel, Jonas; Ritter, Tobias","1,2-selective hydrosilylation of conjugated dienes.","Journal of the American Chemical Society","2014","136","13","4857","4860","10.1021/ja5008596","","","0.71073","MoKα","","0.1165","0.1103","","","0.236","0.2381","","","","","","1.159","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123353","22.2729","0.0008","22.2729","0.0008","22.2145","0.0007","90","","90","","90","","11020.2","0.7","100","2","100","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C120 H156 Cl N4 O12 P5 -","- C120 H156 Cl N4 O12 P5 -","- C480 H624 Cl4 N16 O48 P20 -","4","0.25","","Ciardi, Moira; Galán, Albano; Ballester, Pablo","Tetra-phosphonate Calix[4]pyrrole Cavitands as Multitopic Receptors for the Recognition of Ion Pairs.","Journal of the American Chemical Society","2015","137","5","2047","2055","10.1021/ja512590j","","","0.71073","MoKα","","0.2485","0.2212","","","0.5535","0.5606","","","","","","4.141","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4129460","17.5404","0.0007","17.5404","0.0007","29.3347","0.0008","90","","90","","90","","9025.3","0.6","123","0.1","123","0.1","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C69.6 H80 Br4 F11.2 I2.8 N4 O14 -","- C69.6 H80 Br4 F11.2 I2.8 N4 O14 -","- C278.4 H320 Br16 F44.8 I11.2 N16 O56 -","4","0.25","","Pan, Fangfang; Beyeh, Ngong Kodiah; Rissanen, Kari","Concerted Halogen-Bonded Networks with N-Alkyl Ammonium Resorcinarene Bromides: From Dimeric Dumbbell to Capsular Architectures.","Journal of the American Chemical Society","2015","137","32","10406","10413","10.1021/jacs.5b06590","","x-ray","1.54184","CuKα","","0.1422","0.1213","","","0.3027","0.3226","","","","","","1.039","","","","has coordinates,has disorder","240175","2020-10-21","18:00:00",""
"4129463","18.2858","0.0013","18.2858","0.0013","29.8612","0.0009","90","","90","","90","","9984.7","1","123","0.1","123","0.1","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C76 H98 Br4 F8 I4 N4 O14 -","- C76 H98 Br4 F8 I4 N4 O14 -","- C304 H392 Br16 F32 I16 N16 O56 -","4","0.25","","Pan, Fangfang; Beyeh, Ngong Kodiah; Rissanen, Kari","Concerted Halogen-Bonded Networks with N-Alkyl Ammonium Resorcinarene Bromides: From Dimeric Dumbbell to Capsular Architectures.","Journal of the American Chemical Society","2015","137","32","10406","10413","10.1021/jacs.5b06590","","x-ray","1.54184","CuKα","","0.3203","0.2404","","","0.5631","0.6355","","","","","","1.602","","","","has coordinates,has disorder","240178","2020-10-21","18:00:00",""
"4131594","21.4506","0.0017","21.4506","0.0017","28.554","0.003","90","","90","","90","","13139","2","100.01","0.1","100.01","0.1","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C64 H128 Co12 Mo6 N4 O19 P8 Se16 -","- C64 H128 Co12 Mo6 N4 O19 P8 Se16 -","- C256 H512 Co48 Mo24 N16 O76 P32 Se64 -","4","0.25","","Champsaur, Anouck M.; Mézière, Cécile; Allain, Magali; Paley, Daniel W.; Steigerwald, Michael L.; Nuckolls, Colin; Batail, Patrick","Weaving Nanoscale Cloth through Electrostatic Templating.","Journal of the American Chemical Society","2017","139","34","11718","11721","10.1021/jacs.7b07279","","x-ray","1.54184","CuKα","","0.1906","0.0997","","","0.24","0.3005","","","","","","0.98","","","","has coordinates,has disorder","241771","2020-10-21","18:00:00",""
"4131595","21.65893","0.00019","21.65893","0.00019","28.918","0.0004","90","","90","","90","","13565.7","0.3","100.01","0.1","100.01","0.1","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C82.18 H149.09 Co12 Mo6 N6.55 O21 P8 Se16 -","- C82.176 H149.088 Co12 Mo6 N6.544 O21 P8 Se16 -","- C328.704 H596.352 Co48 Mo24 N26.176 O84 P32 Se64 -","4","0.25","","Champsaur, Anouck M.; Mézière, Cécile; Allain, Magali; Paley, Daniel W.; Steigerwald, Michael L.; Nuckolls, Colin; Batail, Patrick","Weaving Nanoscale Cloth through Electrostatic Templating.","Journal of the American Chemical Society","2017","139","34","11718","11721","10.1021/jacs.7b07279","","x-ray","1.54184","CuKα","","0.0526","0.0422","","","0.1061","0.115","","","","","","1.05","","","","has coordinates,has disorder","241772","2020-10-21","18:00:00",""
"4132409","21.6393","0.0013","21.6393","0.0013","21.1688","0.0015","90","","90","","90","","9912.5","1.1","120","2","120","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C88 H84 B4 F16 N32 O8 Zn4 -","- C88 H76 B4 F16 N32 O4 Zn4 -","- C352 H304 B16 F64 N128 O16 Zn16 -","4","0.25","","Dhers, Sébastien; Mondal, Abhishake; Aguilà, David; Ramírez, Juan; Vela, Sergi; Dechambenoit, Pierre; Rouzières, Mathieu; Nitschke, Jonathan R.; Clérac, Rodolphe; Lehn, Jean-Marie","Spin State Chemistry: Modulation of Ligand p K<sub>a</sub> by Spin State Switching in a [2×2] Iron(II) Grid-Type Complex.","Journal of the American Chemical Society","2018","140","26","8218","8227","10.1021/jacs.8b03735","","","0.71073","MoKα","","0.0623","0.0604","","","0.1574","0.1589","","","","","","1.138","","","","has coordinates","242397","2020-10-21","18:00:00",""
"4300168","32.9623","0.0003","32.9623","0.0003","35.6578","0.0004","90","","90","","90","","38742.7","0.7","213","2","213","2","","","","","","","","10","P 4/n c c :2","-P 4a 2ac","130","[{(Meida)MoFe3S4(PCy3)3}4Fe2(mu-Cl)(CH3CN)2](BPh4)3.2CH3CN","","","- C316 H496 B3 Cl Fe14 Mo4 N8 O16 P12 S16 -","- C314.752 H488.96 B2.948 Cl Fe14 Mo4 N8 O16 P12 S16 -","- C1259.01 H1955.84 B11.792 Cl4 Fe56 Mo16 N32 O64 P48 S64 -","4","0.25","","Frank Osterloh; Brent M. Segal; Catalina Achim; R. H. Holm","Reduced Mono-, Di-, and Tetracubane-Type Clusters Containing the [MoFe3S4]2+ Core Stabilized by Tertiary Phosphine Ligation","Inorganic Chemistry","2000","39","","980","989","10.1021/ic991016x","","","0.71073","MoKα","","0.09","0.0684","","","0.2129","0.2373","","","","","","1.075","","","","has coordinates","179039","2020-10-21","18:00:00",""
"4304471","19.7797","0.0012","19.7797","0.0012","20.851","0.002","90","","90","","90","","8157.7","1","173","2","173","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C52 H99 Cl8 Mn12 N14 O22.5 -","- C40 H80 Cl8 Mn12 N8 O22 -","- C160 H320 Cl32 Mn48 N32 O88 -","4","0.25","","Rashmi Bagai; Khalil A. Abboud; George Christou","Unusual Structural Types in Manganese Cluster Chemistry from the Use of N,N,N',N'-Tetrakis(2-hydroxyethyl)ethylenediamine: Mn8, Mn12, and Mn20 Clusters","Inorganic Chemistry","2008","47","","621","631","10.1021/ic701971d","","","0.71073","MoKα","","0.0948","0.0464","","","0.1046","0.1176","","","","","","0.943","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4304956","28.6662","0.0005","28.6662","0.0005","23.0963","0.0008","90","","90","","90","","18979.4","0.8","223","2","223","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C48 H31 F12 N9 Ru2 S -","- C47.4 H29.6 F12 N9 Ru2 S -","- C758.4 H473.6 F192 N144 Ru32 S16 -","16","1","","Minh Nguyen; Tuan Phan; Eric Van Caemelbecke; Xin Wei; John L. Bear; Karl M. Kadish","Synthesis and Characterization of (3,1) Ru2(F3ap)4(NCS) and (3,1) Ru2(F3ap)3(F2Oap)(NCS) Where F3ap Is the 2-(2,4,6-Trifluoroanilino)pyridinate Anion","Inorganic Chemistry","2008","47","","4392","4400","10.1021/ic8000703","","","0.71073","MoKα","","0.0336","0.0221","","","0.0584","0.0647","","","","","","1.015","","","","has coordinates,has disorder","179087","2020-10-21","18:00:00",""
"4306371","12.713","0.0006","12.713","0.0006","11.818","0.001","90","","90","","90","","1910","0.2","293","2","293","2","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","tetrakis(mu-dithioacetato)diplatinum","","- C8 H12 Pt2 S8 -","- C8 H12 Pt2 S8 -","- C32 H48 Pt8 S32 -","4","0.25","","Alejandro Guijarro; Óscar Castillo; Arrigo Calzolari; Pablo J. Sanz Miguel; Carlos J. Gómez-García; Rosa di Felice; Félix Zamora","Electrical Conductivity in Platinum-Dimer Columns","Inorganic Chemistry","2008","47","","9736","9738","10.1021/ic801211m","","","0.71073","MoKα","","0.1559","0.048","","","0.1134","0.1408","","","","","","0.836","","","","has coordinates","179101","2020-10-21","18:00:00",""
"4307564","12.837","0.002","12.837","0.002","7.9502","0.0017","90","","90","","90","","1310.1","0.4","93","2","93","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C2 H10 F5 N2 V -","- C2 H10 F5 N2 V -","- C16 H80 F40 N16 V8 -","8","0.5","","David W. Aldous; Nicholas F. Stephens; Philip Lightfoot","Hydrothermal Vanadium Fluoride Chemistry: Four New V3+ Chain Structures","Inorganic Chemistry","2007","46","","3996","4001","10.1021/ic062061p","","","0.71073","MoKα","","0.0289","0.0286","","","0.0805","0.0807","","","","","","1.189","","","","has coordinates","179113","2020-10-21","18:00:00",""
"4308466","10.6062","0.0004","10.6062","0.0004","23.9726","0.0013","90","","90","","90","","2696.7","0.2","295","2","273","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C12 H22 Cl Cu Gd N16 O13 -","- C12 H22 Cl Cu Gd N16 O13 -","- C48 H88 Cl4 Cu4 Gd4 N64 O52 -","4","0.25","","Feng He; Ming-Liang Tong; Xiao-Lan Yu; Xiao-Ming Chen","Controlled Aggregation of Heterometallic Nanoscale Cu12Ln6 Clusters (Ln = GdIII or NdIII) into 2D Coordination Polymers","Inorganic Chemistry","2005","44","","559","565","10.1021/ic048754s","","","0.71073","MoKα","","0.021","0.0181","","","0.0432","0.0446","","","","","","1.08","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308467","10.6525","0.0004","10.6525","0.0004","24.0415","0.001","90","","90","","90","","2728.13","0.18","295","2","273","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C12 H22 Cl Cu N16 Nd O13 -","- C12 H22 Cl Cu N16 Nd O13 -","- C48 H88 Cl4 Cu4 N64 Nd4 O52 -","4","0.25","","Feng He; Ming-Liang Tong; Xiao-Lan Yu; Xiao-Ming Chen","Controlled Aggregation of Heterometallic Nanoscale Cu12Ln6 Clusters (Ln = GdIII or NdIII) into 2D Coordination Polymers","Inorganic Chemistry","2005","44","","559","565","10.1021/ic048754s","","","0.71073","MoKα","","0.0217","0.0203","","","0.0467","0.0473","","","","","","1.147","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4309247","14.135","0.001","14.135","0.001","30.314","0.004","90","","90","","90","","6056.7","1","200","2","200","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C60 H60 Cl N8 O8 Rh2 -","- C60 H60 Cl N8 O8 Rh2 -","- C240 H240 Cl4 N32 O32 Rh8 -","4","0.25","","Daniel A. Lutterman; Natalya N. Degtyareva; Dean H. Johnston; Judith C. Gallucci; Judith L. Eglin; Claudia Turro","Photoinduced One-Electron Reduction of Alkyl Halides by Dirhodium(II,II) Tetraformamidinates and a Related Complex with Visible Light","Inorganic Chemistry","2005","44","","5388","5396","10.1021/ic048377j","","","0.71073","MoKα","","0.0708","0.0402","","","0.1034","0.1136","","","","","","1.089","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309589","14.799","0.0009","14.799","0.0009","17.114","0.001","90","","90","","90","","3748.1","0.4","298","2","298","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C36 H34 Mn N8 O7 Ru2 -","- C36 H28 Mn N8 O7 Ru2 -","- C144 H112 Mn4 N32 O28 Ru8 -","4","0.25","","Wai-Fun Yeung; Pui-Ha Lau; Tai-Chu Lau; Hai-Yan Wei; Hao-Ling Sun; Song Gao; Zhi-Da Chen; Wing-Tak Wong","Heterometallic MIIRuIII2 Compounds Constructed from trans-[Ru(Salen)(CN)2]- and trans-[Ru(Acac)2(CN)2]-. Synthesis, Structures, Magnetic Properties, and Density Functional Theoretical Study","Inorganic Chemistry","2005","44","","6579","6590","10.1021/ic0506456","","","0.7107","MoKα","","","0.0508","","","0.0557","","","","","1.522","1.522","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310886","14.5055","0.0003","14.5055","0.0003","13.8279","0.0005","90","","90","","90","","2909.52","0.14","213","2","213","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","none","PtCr(tc)4","","- C24 H40 Cr N4 Pt S4 -","- C24 H40 Cr N4 Pt S4 -","- C96 H160 Cr4 N16 Pt4 S16 -","4","0.25","","Thomas A. Scott; Besma Abbaoui; Hong-Cai Zhou","Crystallographic Evidence for Chromium-Platinum Interaction","Inorganic Chemistry","2004","43","","2459","2461","10.1021/ic049968c","","","0.71073","MoKα","","0.0241","0.0186","","","0.0481","0.054","","","","","","1.092","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310887","15.4221","0.0003","15.4221","0.0003","14.411","0.0006","90","","90","","90","","3427.53","0.17","213","2","213","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","none","PtCr(tc)4.0.5Et2O","","- C26 H45 Cr N4 O0.5 Pt S4 -","- C26 H40 Cr N4 O0.5 Pt S4 -","- C104 H160 Cr4 N16 O2 Pt4 S16 -","4","0.25","","Thomas A. Scott; Besma Abbaoui; Hong-Cai Zhou","Crystallographic Evidence for Chromium-Platinum Interaction","Inorganic Chemistry","2004","43","","2459","2461","10.1021/ic049968c","","","0.71073","MoKα","","0.0307","0.0236","","","0.067","0.0745","","","","","","1.122","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311974","12.349","0.002","12.349","0.002","14.066","0.004","90","","90","","90","","2145","0.8","383","2","383","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C12 H32 Mn N4 O12 P4 -","- C12 H32 Mn N4 O12 P4 -","- C48 H128 Mn4 N16 O48 P16 -","4","0.25","","Kong; Dmitri G. Medvedev; Abraham Clearfield","DOTP-Manganese and -Nickel Complexes: from a Tetrahedral Network with 12-Membered Rings to an Ionic Phosphonate","Inorganic Chemistry","2004","43","","7308","7314","10.1021/ic040076m","","","0.71073","MoKα","","0.0448","0.0443","","","0.1298","0.1304","","","","","","1.193","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4312070","14.178","0.002","14.178","0.002","23.734","0.005","90","","90","","90","","4770.9","1.4","293","2","293","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C55 H50 N9 O2 Ru2 -","- C56 H44 N9 O3 Ru2 -","- C224 H176 N36 O12 Ru8 -","4","0.25","","Baocheng Han; Jianguo Shao; Zhongping Ou; Tuan D. Phan; Jing Shen; John L. Bear; Karl M. Kadish","Synthesis and Characterization of Nitrosyl Diruthenium Complexes. Interaction between NO and CO across the Metal-Metal Bond","Inorganic Chemistry","2004","43","","7741","7751","10.1021/ic048983e","","","0.71073","MoKα","","0.0725","0.0428","","0.1104","0.0833","","","","1.369","1.287","1.287","","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4313165","24.3639","0.0018","24.3639","0.0018","28.208","0.003","90","","90","","90","","16744","2","173","2","173","2","","","","","","","","9","P 4/n c c :2","-P 4a 2ac","130","","","","- C80 H100 B F4 Li N4 O8 P4 Pt2 -","- C85.5 H70 B F3.985 Li N4 O2 P4 Pt2 -","- C684 H560 B8 F31.88 Li8 N32 O16 P32 Pt16 -","8","0.5","","U. Anandhi; Todd Holbert; Dennis Lueng; Paul R. Sharp","Platinum and Palladium Imido and Oxo Complexes with Small Natural Bite Angle Diphosphine Ligands","Inorganic Chemistry","2003","42","","1282","1295","10.1021/ic025987f","","","0.71073","MoKα","","0.1168","0.0441","","","0.0989","0.1382","","","","","","1.088","","","","has coordinates","179185","2020-10-21","18:00:00",""
"4314948","14.767","0.002","14.767","0.002","17.024","0.003","90","","90","","90","","3712.3","1","113","2","113","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C37 H30 Fe Mn2 N10 O6 -","- C37 H28 Fe Mn2 N10 O6 -","- C148 H112 Fe4 Mn8 N40 O24 -","4","0.25","","Chun Yang; Qing-Lun Wang; Yue Ma; Guo-Tao Tang; Dai-Zheng Liao; Shi-Ping Yan; Guang-Ming Yang; Peng Cheng","Bimetallic Materials Derived from Manganese(III) Schiff Base Complexes and Pentacyanidonitrosylferrate(II) Precursor: Structures and Magnetic Properties","Inorganic Chemistry","2010","49","","2047","2056","10.1021/ic901600v","","","0.71073","MoKα","","0.0544","0.0536","","","0.1421","0.1427","","","","","","1.144","","","","has coordinates,has disorder","179229","2020-10-21","18:00:00",""
"4317119","28.2016","0.0011","28.2016","0.0011","15.4533","0.0012","90","","90","","90","","12290.5","1.2","293","2","293","2","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- C31 H35 N3 O4 -","- C31 H35 N3 O4 -","- C496 H560 N48 O64 -","16","1","","Elisabete Oliveira; Rosa M. F. Baptista; Susana P. G. Costa; M. Manuela M. Raposo; Carlos Lodeiro","Exploring the Emissive Properties of New Azacrown Compounds Bearing Aryl, Furyl, or Thienyl Moieties: A Special Case of Chelation Enhancement of Fluorescence upon Interaction with Ca2+, Cu2+, or Ni2+","Inorganic Chemistry","2010","49","","10847","10857","10.1021/ic101095y","","","0.71073","MoKα","","0.1441","0.0704","","","0.2291","0.2516","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4317581","15.811","0.0008","15.811","0.0008","28.283","0.002","90","","90","","90","","7070.4","0.7","293","2","293","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C45 H65 Cl6 La N4 O20 S4 -","- C45 H60 Cl6 La N4 O20 S4 -","- C180 H240 Cl24 La4 N16 O80 S16 -","4","0.25","","Xian-He Bu; Wei Weng; Miao Du; Wei Chen; Jian-Rong Li; Ruo-Hua Zhang; Li-Juan Zhao","Novel Lanthanide(III) Coordination Polymers with 1,4-Bis(phenyl-sulfinyl)butane Forming Unique Lamellar Square Array: Syntheses, Crystal Structures, and Properties","Inorganic Chemistry","2002","41","","1007","1010","10.1021/ic010932j","","","0.71073","MoKα","","0.0825","0.0564","","","0.1772","0.2074","","","","","","1.106","","","","has coordinates","179255","2020-10-21","18:00:00",""
"4317582","15.7124","0.0007","15.7124","0.0007","28.4342","0.0019","90","","90","","90","","7019.8","0.6","298","2","298","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C44 H68 Cl3 N4 O22 Pr S4 -","- C44 H60 Cl3 N4 O29 Pr S4 -","- C176 H240 Cl12 N16 O116 Pr4 S16 -","4","0.25","","Xian-He Bu; Wei Weng; Miao Du; Wei Chen; Jian-Rong Li; Ruo-Hua Zhang; Li-Juan Zhao","Novel Lanthanide(III) Coordination Polymers with 1,4-Bis(phenyl-sulfinyl)butane Forming Unique Lamellar Square Array: Syntheses, Crystal Structures, and Properties","Inorganic Chemistry","2002","41","","1007","1010","10.1021/ic010932j","","","0.71073","MoKα","","0.0724","0.0501","","","0.1581","0.1796","","","","","","1.152","","","","has coordinates","179255","2020-10-21","18:00:00",""
"4317583","15.6617","0.0008","15.6617","0.0008","28.468","0.002","90","","90","","90","","6982.9","0.7","293","2","293","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C44 H68 Cl3 Eu N4 O22 S4 -","- C44 H64 Cl3 Eu N4 O32 S4 -","- C176 H256 Cl12 Eu4 N16 O128 S16 -","4","0.25","","Xian-He Bu; Wei Weng; Miao Du; Wei Chen; Jian-Rong Li; Ruo-Hua Zhang; Li-Juan Zhao","Novel Lanthanide(III) Coordination Polymers with 1,4-Bis(phenyl-sulfinyl)butane Forming Unique Lamellar Square Array: Syntheses, Crystal Structures, and Properties","Inorganic Chemistry","2002","41","","1007","1010","10.1021/ic010932j","","","0.71073","MoKα","","0.071","0.0475","","","0.1221","0.1395","","","","","","1.087","","","","has coordinates","179255","2020-10-21","18:00:00",""
"4317584","15.5776","0.0007","15.5776","0.0007","28.4289","0.0016","90","","90","","90","","6898.6","0.6","293","2","293","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C44 H80 Cl3 N4 O28 S4 Y -","- C44 H64 Cl3 N4 O26.04 S4 Y -","- C176 H256 Cl12 N16 O104.16 S16 Y4 -","4","0.25","","Xian-He Bu; Wei Weng; Miao Du; Wei Chen; Jian-Rong Li; Ruo-Hua Zhang; Li-Juan Zhao","Novel Lanthanide(III) Coordination Polymers with 1,4-Bis(phenyl-sulfinyl)butane Forming Unique Lamellar Square Array: Syntheses, Crystal Structures, and Properties","Inorganic Chemistry","2002","41","","1007","1010","10.1021/ic010932j","","","0.71073","MoKα","","0.1292","0.083","","","0.2047","0.2299","","","","","","1.105","","","","has coordinates","179255","2020-10-21","18:00:00",""
"4319104","13.63","0.005","13.63","0.005","21.42","0.008","90","","90","","90","","3979","3","293","2","293","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C37 H24 Br4 Fe Mn2 N10 O5 -","- C37 H24 Br4 Fe Mn2 N10 O5 -","- C148 H96 Br16 Fe4 Mn8 N40 O20 -","4","0.25","","M. Clemente-León; E. Coronado; J. R. Galán-Mascarós; C. J. Gómez-García; Th. Woike; J. M. Clemente-Juan","Bimetallic Cyanide-Bridged Complexes Based on the Photochromic Nitroprusside Anion and Paramagnetic Metal Complexes. Syntheses, Structures, and Physical Characterization of the Coordination Compounds [Ni(en)2]4[Fe(CN)5NO]2[Fe(CN)6].5H2O, [Ni(en)2][Fe(CN)5NO].3H2O, [Mn(3-MeOsalen)(H2O)]2[Fe(CN)5NO], and [Mn(5-Brsalen)]2[Fe(CN)5NO]","Inorganic Chemistry","2001","40","","87","94","10.1021/ic0003022","","","0.71069","MoKα","","0.0835","0.0319","","","0.0636","0.0755","","","","","","0.935","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4319207","25.181","0.0002","25.181","0.0002","34.7744","0.0002","90","","90","","90","","22049.8","0.3","158","2","158","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C106 H123.5 B2 N12 O10 Zn2 -","- C106 H116 B2 N12 O10 Zn2 -","- C848 H928 B16 N96 O80 Zn16 -","8","0.5","","David A. Shultz; Scot H. Bodnar; R. Krishna Kumar; Hyoyoung Lee; Jeff W. Kampf","Molecular Structures of Carbonyl-Linked Bis(dioxolene) Complexes: Can a Carbonyl Group Act as an Effective Ferromagnetic Coupler?","Inorganic Chemistry","2001","40","","546","549","10.1021/ic000956a","","","0.71073","MoKα","","0.0941","0.0693","","","0.1762","0.1934","","","","","","1.049","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4319248","15.824","0.007","15.824","0.007","17.383","0.009","90","","90","","90","","4353","4","293","","293","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C41 H49 Cl3 O4 S4 -","- C41 H49 Cl3 O4 S4 -","- C164 H196 Cl12 O16 S16 -","4","0.25","","Alexander Bilyk; Annegret K. Hall; Jack M. Harrowfield; M. Wais Hosseini; Brian W. Skelton; Allan H. White","Systematic Structural Coordination Chemistry of p-tert-Butyltetrathiacalix[4]arene: 1. Group 1 Elements and Congeners","Inorganic Chemistry","2001","40","","672","686","10.1021/ic001008c","","","0.71073","MoKα","","0.141","0.073","","0.114","","0.088","","","1.664","","","2.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4320201","20.089","0.0005","20.089","0.0005","14.0156","0.0005","90","","90","","90","","5656.2","0.3","198","2","198","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C13 H13 N2 Ni O4.75 -","- C12.75 H8 N2 Ni O5 -","- C204 H128 N32 Ni16 O80 -","16","1","","Ponnaiyan Ayyappan; Owen R. Evans; Wenbin Lin","Three-Dimensional Open Frameworks Based on Cobalt(II) and Nickel(II) m-Pyridinecarboxylates","Inorganic Chemistry","2001","40","","4627","4632","10.1021/ic010343d","","","0.71073","MoKα","","0.081","0.0542","","","0.1788","0.1887","","","","","","1.04","","","","has coordinates,has disorder","179305","2020-10-21","18:00:00",""
"4320742","15.9265","0.0006","15.9265","0.0006","22.8689","0.0012","90","","90","","90","","5800.8","0.4","223","2","223","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C57 H52 Cl8 N8 O Ru2 -","- C57.04 H52.08 Cl8.08 N8 O Ru2 -","- C228.16 H208.32 Cl32.32 N32 O4 Ru8 -","4","0.25","","Karl M. Kadish; Baocheng Han; Jianguo Shao; Zhongping Ou; John L. Bear","Synthesis and Characterization of Diruthenium Complexes in Low Oxidation States. Formation of Mono- and Bis-CO Adducts","Inorganic Chemistry","2001","40","","6848","6851","10.1021/ic010907d","","","0.71073","MoKα","","0.0562","0.0296","","","0.0791","0.1081","","","","","","1.205","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4321732","18.094","0.003","18.094","0.003","18.939","0.004","90","","90","","90","","6200","2","130","2","130","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C70 H69 Cl Fe N10 O7 -","- C70 H69 Cl Fe N9.575 O6.135 -","- C280 H276 Cl4 Fe4 N38.3 O24.54 -","4","0.25","","Mary K. Ellison; Charles E. Schulz; W. Robert Scheidt","Syntheses, Characterization, and Structural Studies of Several (Nitro)(nitrosyl)iron(III) Porphyrinates: [Fe(Porph)(NO2)(NO)]","Inorganic Chemistry","1999","38","","100","108","10.1021/ic981162n","","","0.71073","MoKα","","0.1178","0.0888","","","0.2147","0.2371","","","","","","1.069","","","","has coordinates,has disorder","179320","2020-10-21","18:00:00",""
"4321733","18.1172","0.0015","18.1172","0.0015","19.0838","0.0008","90","","90","","90","","6263.9","0.8","130","2","130","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C70 H69 Cl Fe N10 O7 -","- C70 H69 Cl Fe N10 O7 -","- C280 H276 Cl4 Fe4 N40 O28 -","4","0.25","","Mary K. Ellison; Charles E. Schulz; W. Robert Scheidt","Syntheses, Characterization, and Structural Studies of Several (Nitro)(nitrosyl)iron(III) Porphyrinates: [Fe(Porph)(NO2)(NO)]","Inorganic Chemistry","1999","38","","100","108","10.1021/ic981162n","","","0.71073","MoKα","","0.1038","0.0901","","0.1956","0.1896","","","","1.179","1.244","1.244","","","","","has coordinates","179320","2020-10-21","18:00:00",""
"4323149","25.7603","0.0003","25.7603","0.0003","18.6771","0.0002","90","","90","","90","","12394","0.2","298","2","298","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C13.5 H27 Cl6 O3.5 S3 W2 -","- C13.5 H27 Cl6 O3.5 S3 W2 -","- C216 H432 Cl96 O56 S48 W32 -","16","1","","P. Michael Boorman; Naomi L. Langdon; Vivian J. Mozol; Masood Parvez; Glenn P. A. Yap","Syntheses, Crystal Structures, Spectroscopic Characterization, and Electrochemical Studies of the Ditungsten(III) Complexes Cl~3~W(μ-L)~3~WCl~3~ and [Cl~3~W(μ-L)~2~(μ-Cl)WCl~3~]^-^ (L = 1,4-Dithiane, 1,4-Thioxane, pms = Pentamethylene Sulfide). C-S Bond Cleavage of the Bridging Thioether(s) in Cl~3~W(μ-L)~3~WCl~3~","Inorganic Chemistry","1998","37","","6023","6029","10.1021/ic971542t","","","0.71073","MoKα","","0.0849","0.0763","","0.1348","0.1309","","","","1.218","1.234","1.234","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323300","19.73","0.003","19.73","0.003","14.485","0.004","90","","90","","90","","5639","2","143","2","143","2","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- C7 H16 I3.25 P -","- C7 H16 I3.25 P -","- C112 H256 I52 P16 -","16","1","","Volkmar Stenzel; Jörg Jeske; Wolf-Walther du Mont; Peter G. Jones","Supramolecular Soft-Soft Interactions of Diiodo(tert-butyl)(isopropyl)phosphonium Cations with μ~2~- to μ~5~-Bridging Iodide Anions. Formation of Chains, Helices, and Columnar Structures","Inorganic Chemistry","1997","36","","443","448","10.1021/ic9603058","","","0.71073","MoKα","","0.048","0.0356","","0.08","0.0747","","","","1.095","1.13","1.13","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323533","13.022","0.003","13.022","","17.218","0.005","90","","90","","90","","2919.7","1.1","294","2","294","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C17 H27 F12 N8 O2 P2 Re -","- C17 H24 F12 N8 O2 P2 Re -","- C68 H96 F48 N32 O8 P8 Re4 -","4","0.25","","Suzanne Bélanger; André L. Beauchamp","Oxo Ligand Reactivity in the [ReO2L4]+ Complex of 1-Methylimidazole. Preparation and Crystal Structures of Salts Containing the ReOL43+ Core and Apical CH3O-, BF3O2-, and (CH3O)2PO2- Groups","Inorganic Chemistry","1997","36","","3640","3647","10.1021/ic970067w","","","1.54056","CopperKα","","0.0428","0.0271","","0.0758","0.0698","","","","0.916","1.027","1.027","","","","","has coordinates,has disorder","179338","2020-10-21","18:00:00",""
"4323651","13.317","0.002","13.317","0.002","36.435","0.01","90","","90","","90","","6461","2","203","2","203","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- H49 K9 N8 O57 V18 -","- K9 N8 O57 V18 -","- K36 N32 O228 V72 -","4","0.25","","Achim Müller; Roberta Sessoli; Erich Krickemeyer; Hartmut Bögge; Jochen Meyer; Dante Gatteschi; Luca Pardi; Jörg Westphal; Kai Hovemeier; Ralf Rohlfing; Joachim Döring; Frank Hellweg; Christian Beugholt; Marc Schmidtmann","Polyoxovanadates: High-Nuclearity Spin Clusters with Interesting Host-Guest Systems and Different Electron Populations. Synthesis, Spin Organization, Magnetochemistry, and Spectroscopic Studies","Inorganic Chemistry","1997","36","","5239","5250","10.1021/ic9703641","","","0.71073","MoKα","","0.0872","0.0646","","0.2196","0.1846","","","","1.403","1.467","1.467","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323653","13.201","0.002","13.201","0.002","36.491","0.007","90","","90","","90","","6359.2","1.8","198","2","198","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- Br H48 K9 N8 O56 V18 -","- Br K9 N5.6 O56 V18 -","- Br4 K36 N22.4 O224 V72 -","4","0.25","","Achim Müller; Roberta Sessoli; Erich Krickemeyer; Hartmut Bögge; Jochen Meyer; Dante Gatteschi; Luca Pardi; Jörg Westphal; Kai Hovemeier; Ralf Rohlfing; Joachim Döring; Frank Hellweg; Christian Beugholt; Marc Schmidtmann","Polyoxovanadates: High-Nuclearity Spin Clusters with Interesting Host-Guest Systems and Different Electron Populations. Synthesis, Spin Organization, Magnetochemistry, and Spectroscopic Studies","Inorganic Chemistry","1997","36","","5239","5250","10.1021/ic9703641","","","0.71073","MoKα","","0.134","0.0751","","0.2461","0.1919","","","","1.097","1.198","1.198","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323654","13.179","0.003","13.179","0.003","36.597","0.011","90","","90","","90","","6356","3","198","2","198","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- H48 I K9 N8 O56 V18 -","- I K9 N5.2 O56 V18 -","- I4 K36 N20.8 O224 V72 -","4","0.25","","Achim Müller; Roberta Sessoli; Erich Krickemeyer; Hartmut Bögge; Jochen Meyer; Dante Gatteschi; Luca Pardi; Jörg Westphal; Kai Hovemeier; Ralf Rohlfing; Joachim Döring; Frank Hellweg; Christian Beugholt; Marc Schmidtmann","Polyoxovanadates: High-Nuclearity Spin Clusters with Interesting Host-Guest Systems and Different Electron Populations. Synthesis, Spin Organization, Magnetochemistry, and Spectroscopic Studies","Inorganic Chemistry","1997","36","","5239","5250","10.1021/ic9703641","","","0.71073","MoKα","","0.0918","0.0648","","0.2249","0.1829","","","","1.164","1.23","1.23","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323656","13.206","0.005","13.206","0.005","36.519","0.021","90","","90","","90","","6369","5","198","2","198","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- H48 K9 N9 O58 V18 -","- K9 N9 O58 V18 -","- K36 N36 O232 V72 -","4","0.25","","Achim Müller; Roberta Sessoli; Erich Krickemeyer; Hartmut Bögge; Jochen Meyer; Dante Gatteschi; Luca Pardi; Jörg Westphal; Kai Hovemeier; Ralf Rohlfing; Joachim Döring; Frank Hellweg; Christian Beugholt; Marc Schmidtmann","Polyoxovanadates: High-Nuclearity Spin Clusters with Interesting Host-Guest Systems and Different Electron Populations. Synthesis, Spin Organization, Magnetochemistry, and Spectroscopic Studies","Inorganic Chemistry","1997","36","","5239","5250","10.1021/ic9703641","","","0.71073","MoKα","","0.1517","0.0894","","0.2634","0.2136","","","","1.281","1.423","1.423","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323903","17.0545","0.0006","17.0545","0.0006","22.807","0.003","90","","90","","90","","6633.6","0.9","296","2","296","2","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","tetrabutylammonium bis(phtahlocyaninato)-neodymium(iii)","","- C80 H68 N17 Nd -","- C80 H32 N17 Nd -","- C320 H128 N68 Nd4 -","4","0.25","","Naoto Koike; Hidehiro Uekusa; Yuji Ohashi; Chokto Harnoode; Fusao Kitamura; Takeo Ohsaka; Koichi Tokuda","Relationship between the Skew Angle and Interplanar Distance in Four Bis(phthalocyaninato)lanthanide(III) Tetrabutylammonium Salts ([NBun4][LnIIIPc2]; Ln = Nd, Gd, Ho, Lu)","Inorganic Chemistry","1996","35","","5798","5804","10.1021/ic960158d","","","0.71073","MoKα","","0.0846","0.0506","","0.1663","0.1297","","","","1.06","1.147","1.147","","","","","has coordinates,has disorder","179342","2020-10-21","18:00:00",""
"4323989","15.245","0.002","15.245","0.002","21.832","0.002","90","","90","","90","","5074","1","293","2","293","2","","","","","","","synthesis","5","P 4/n c c :2","-P 4a 2ac","130","","tetra(μ-diphenylformamidinate)chloro ditechnetium (II,III) toluene solvate","","- C59 H52 Cl N8 Tc2 -","- C59 H44 Cl N8 Tc2 -","- C236 H176 Cl4 N32 Tc8 -","4","0.25","","F. Albert Cotton; Steven C. Haefner; Alfred P. Sattelberger","Metal-Metal Multiply Bonded Complexes of Technetium. 5.1 Tris and Tetrakis(formamidinato) Complexes of Ditechnetium","Inorganic Chemistry","1996","35","","7350","7357","10.1021/ic960535m","","","1.5406","Cu","","0.1269","0.0482","","0.1592","0.1246","","","","1.089","1.283","1.283","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4324107","17.302","0.008","17.302","0.008","22.789","0.011","90","","90","","90","","6822","6","223.1","","223.1","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- C30 Co N6 O8 -","- C30 Co N6 O8 -","- C240 Co8 N48 O64 -","8","0.5","","Satoru Shimomura; Nobuhiro Yanai; Ryotaro Matsuda; Susumu Kitagawa","Impact of Metal-Ion Dependence on the Porous and Electronic Properties of TCNQ-Dianion-Based Porous Coordination Polymers","Inorganic Chemistry","2011","50","","172","177","10.1021/ic1015498","","","0.7107","MoKα","","","0.0869","","","","0.1209","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324108","17.571","0.014","17.571","0.014","23.404","0.018","90","","90","","90","","7226","10","223.1","","223.1","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C30 H10 Cd N6 O8 -","- C30 H12 Cd N6 O8 -","- C240 H96 Cd8 N48 O64 -","8","0.5","","Satoru Shimomura; Nobuhiro Yanai; Ryotaro Matsuda; Susumu Kitagawa","Impact of Metal-Ion Dependence on the Porous and Electronic Properties of TCNQ-Dianion-Based Porous Coordination Polymers","Inorganic Chemistry","2011","50","","172","177","10.1021/ic1015498","","","0.7107","MoKα","","","0.0504","","","","0.056","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324110","17.4656","0.0007","17.4656","0.0007","23.0745","0.0011","90","","90","","90","","7038.8","0.5","293.1","","293.1","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- C22 H12 Fe N6 -","- C22 H12 Fe N6 -","- C176 H96 Fe8 N48 -","8","0.5","","Satoru Shimomura; Nobuhiro Yanai; Ryotaro Matsuda; Susumu Kitagawa","Impact of Metal-Ion Dependence on the Porous and Electronic Properties of TCNQ-Dianion-Based Porous Coordination Polymers","Inorganic Chemistry","2011","50","","172","177","10.1021/ic1015498","","","0.71075","MoKα","","","0.1776","","","","0.2072","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325688","23.795","0.003","23.795","0.003","18.707","0.003","90","","90","","90","","10592","3","110","2","110","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C46 H72 Al2 N2 O4 -","- C46 H72 Al2 N2 O4 -","- C368 H576 Al16 N16 O32 -","8","0.5","","Donald J. Darensbourg; Osit Karroonnirun; Stephanie J. Wilson","Ring-Opening Polymerization of Cyclic Esters and Trimethylene Carbonate Catalyzed by Aluminum Half-Salen Complexes","Inorganic Chemistry","2011","50","","6775","6787","10.1021/ic2008057","","","1.54178","CuKα","","0.0927","0.0633","","","0.1578","0.1712","","","","","","1.104","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4327086","14.2869","0.0004","14.2869","0.0004","23.9665","0.0011","90","","90","","90","","4891.9","0.3","170","2","170","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C32 H71 Cl3 La N8 O16 -","- C32 H71.004 Cl3 La N8 O16.004 -","- C128 H284.016 Cl12 La4 N32 O64.016 -","4","0.25","","Luís M. P. Lima; Alexandre Lecointre; Jean-François Morfin; Andrés de Blas; Dimitris Visvikis; Loïc J. Charbonnière; Carlos Platas-Iglesias; Raphaël Tripier","Positively Charged Lanthanide Complexes with Cyclen-Based Ligands: Synthesis, Solid-State and Solution Structure, and Fluoride Interaction","Inorganic Chemistry","2011","50","","12508","12521","10.1021/ic201447c","","x-ray","0.71073","MoKα","","0.0861","0.0446","","","0.1238","0.1381","","","","","","1.134","","","","has coordinates,has disorder","179373","2020-10-21","18:00:00",""
"4329134","17.5173","0.0015","17.5173","0.0014","20.896","0.003","90","","90","","90","","6412.1","1.2","122","1","122","1","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","Cr-F-Gd square","","","- C52 H48 Cr2 F4 Gd2 N16 O29 -","- C52 H48 Cr2 F4 Gd2 N16 O29 -","- C208 H192 Cr8 F16 Gd8 N64 O116 -","4","0.25","","Torben Birk; Kasper S. Pedersen; Christian Aa. Thuesen; Thomas Weyhermüller; Magnus Schau-Magnussen; Stergios Piligkos; Högni Weihe; Susanne Mossin; Marco Evangelisti; Jesper Bendix","Fluoride Bridges as Structure-Directing Motifs in 3d-4f Cluster Chemistry","Inorganic Chemistry","2012","51","","5435","5443","10.1021/ic300421x","","","0.71073","MoKα","","0.0702","0.0378","","","0.07","0.0949","","","","","","1.382","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329667","19.0396","0.0017","19.0396","0.0017","23.563","0.002","90","","90","","90","","8541.7","1.3","293","2","293","2","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- C37 H28 O24 Zn4 -","- C37 H20 O24 Zn4 -","- C148 H80 O96 Zn16 -","4","0.25","","Ya-Qian Lan; Hai-Long Jiang; Shun-Li Li; Qiang Xu","Solvent-Induced Controllable Synthesis, Single-Crystal to Single-Crystal Transformation and Encapsulation of Alq3 for Modulated Luminescence in (4,8)-Connected Metal-Organic Frameworks","Inorganic Chemistry","2012","51","","7484","7491","10.1021/ic202635a","","","0.71069","MoKα","","0.1016","0.0707","","","0.2075","0.2251","","","","","","0.945","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4333993","19.707","0.003","19.707","0.003","15.51","0.003","90","","90","","90","","6023.6","1.7","100","2","100","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C21 H34 N8 O14 Zn -","- C21 H18 N8 O14 Zn -","- C168 H144 N64 O112 Zn8 -","8","0.5","","Jong Won Shin; Jeong Mi Bae; Cheal Kim; Kil Sik Min","Three-Dimensional Zinc(II) and Cadmium(II) Coordination Frameworks with N,N,N',N'-Tetrakis(pyridin-4-yl)methanediamine: Structure, Photoluminescence, and Catalysis","Inorganic Chemistry","2013","52","","2265","2267","10.1021/ic302375z","","","0.62","synchrotron","","0.0846","0.0764","","","0.2376","0.2459","","","","","","1.029","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4334344","6.7225","0.0005","6.7225","0.0005","13.515","0.0009","90","","90","","90","","610.77","0.08","293","","293","","","","","","","","synthesis as described","3","P 4/n c c :2","-P 4a 2ac","130","","","","- Al Mg4 Si3 -","- Al Mg4 Si3 -","- Al4 Mg16 Si12 -","4","0.25","","Shidong Ji; Motoharu Imai; Haikui Zhu; Shoji Yamanaka","Structural Characterization of Magnesium-Based Compounds Mg9Si5 and Mg4Si3Al (Superconductor) Synthesized under High Pressure and High Temperature Conditions","Inorganic Chemistry","2013","52","","3953","3961","10.1021/ic3027539","","x-ray","0.71069","MoKα","","0.0414","0.031","","","0.0687","0.0728","","","","","","1.143","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335680","27.702","0.004","27.702","0.004","14.175","0.002","90","","90","","90","","10878","3","100","2","100","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","LCu(OH)Na","","","- C56 H66 Cu2 N12 Na2 O6 -","- C56 H66 Cu2 N12 Na2 O6 -","- C448 H528 Cu16 N96 Na16 O48 -","8","0.5","","Mohammad Reza Halvagar; William B. Tolman","Isolation of a 2-Hydroxytetrahydrofuran Complex from Copper-Promoted Hydroxylation of THF","Inorganic Chemistry","2013","52","","8306","8308","10.1021/ic401446s","","neutron","0.71073","MoKα","","0.0767","0.0447","","","0.1016","0.1213","","","","","","1.001","","","","has coordinates,has disorder","179459","2020-10-21","18:00:00",""
"4337322","18.1524","0.0007","18.1524","0.0007","27.5897","0.0016","90","","90","","90","","9091.1","0.7","293","2","293","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C27 H20 N8 O4 Zn2 -","- C27 H20 N8 O4 Zn2 -","- C216 H160 N64 O32 Zn16 -","8","0.5","","Liu, Juan; Zhang, Hua-Bin; Tan, Yan-Xi; Wang, Fei; Kang, Yao; Zhang, Jian","Structural Diversity and Photoluminescent Properties of Zinc Benzotriazole-5-carboxylate Coordination Polymers.","Inorganic chemistry","2014","53","3","1500","1506","10.1021/ic402467g","","","0.71073","MoKα","","0.1833","0.0883","","","0.2108","0.238","","","","","","0.946","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4338418","47.335","0.001","47.335","0.001","30.894","0.003","90","","90","","90","","69221","7","120","2","120","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","Hexadeca(2-(4-{[4-methyl-6-(1-methyl-1H-1,3-benzodiazol-2-yl)-2propyl-1H-1, 3-benzodiazol-1-yl]methyl}phenyl)benzoate)octacopper(II) tetracosahydrate","","- C528 H488 Cu8 N64 O56 -","- C528 H464 Cu8 N64 O56 -","- C2112 H1856 Cu32 N256 O224 -","4","0.25","","Islas, María S; Martínez Medina, Juan J; López Tévez, Libertad L; Rojo, Teófilo; Lezama, Luis; Griera Merino, Mercedes; Calleros, Laura; Cortes, María A; Rodriguez Puyol, Manuel; Echeverría, Gustavo A; Piro, Oscar E.; Ferrer, Evelina G.; Williams, Patricia A. M.","Antitumoral, Antihypertensive, Antimicrobial, and Antioxidant Effects of an Octanuclear Copper(II)-Telmisartan Complex with an Hydrophobic Nanometer Hole.","Inorganic chemistry","2014","53","11","5724","5737","10.1021/ic500483p","","","1.54184","CuKα","","0.2271","0.1833","","","0.4303","0.4757","","","","","","1.533","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4339177","21.0116","0.0008","21.0116","0.0008","13.3454","0.001","90","","90","","90","","5891.8","0.5","273","2","273","2","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- Bi3 K3 P4 S16 -","- Bi3 K3 P4 S16 -","- Bi24 K24 P32 S128 -","8","0.5","","Gave, Matthew A.; Weliky, David P.; Kanatzidis, Mercouri G.","New potassium bismuth thiophosphates including the modulated K(1.5)Bi(2.5)(PS4)(3).","Inorganic chemistry","2007","46","26","11063","11074","10.1021/ic701211a","","","0.71073","MoKα","","0.122","0.0674","","","0.1771","0.2092","","","","","","1.049","","","","has coordinates","179494","2020-10-21","18:00:00",""
"4341749","11.3528","0.0016","11.3528","0.0016","23.145","0.005","90","","90","","90","","2983.1","0.9","293","2","293","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C20 H16 Cl2 Co3 N8 O10 -","- C20 H12 Cl2 Co3 N8 O10 -","- C80 H48 Cl8 Co12 N32 O40 -","4","0.25","","Liu, Ting; Gao, Su-Mei; Xu, Long-Yang; Zhao, Jiong-Peng; Liu, Fu-Chen; Hu, Hai-Liang; Kang, Zhen-Hui","Design and Synthesis of Stable Cobalt-Based Weak Ferromagnetic Framework with Large Spin Canting Angle.","Inorganic chemistry","2014","","","141202093155003","","10.1021/ic502177k","","","0.71073","MoKα","","0.1055","0.0841","","","0.169","0.1783","","","","","","1.343","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4344526","8.747","","8.747","","8.167","","90","","90","","90","","624.857","","","","","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","(V O) (Si P2 O8)","","- O9 P2 Si V -","- O9 P2 Si V -","- O36 P8 Si4 V4 -","4","0.25","","Rice, C.E.; Robinson, W.R.; Tofield, B.C.","Crystal structure of a condensed phosphatosilicate, oxovanadium(IV)-diphosphatomonosilicate, V O (Si P2 O8)","Inorganic Chemistry","1976","15","","345","348","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4345024","9.0293","0.0002","9.0293","0.0002","9.0053","0.0004","90","","90","","90","","734.19","0.04","","","292","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- As2 Li4 O9 V -","- As2 Li4 O9 V1.004 -","- As8 Li16 O36 V4.016 -","4","0.25","","Aranda, Miguel A. G.; Attfield, J. Paul; Bruque, Sebastian; Martinez-Lara, Maria","Order and disorder of vanadyl chains: crystal structures of Vanadyl difydrogen arsenate (VO(H2AsO4)2) and the lithium derivative Li4VO(AsO4)2","Inorganic Chemistry","1992","31","","1045","1049","10.1021/ic00032a023","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","0.093","","","","","","","","","has coordinates","190437","2020-10-21","18:00:00",""
"4349720","15.026","0.006","15.026","0.006","17.267","0.01","90","","90","","90","","3899","3","113","2","113","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C8 H11 Cd Cl2 Co N10 S2 -","- C8 H11 Cd Cl2 Co N10 S2 -","- C64 H88 Cd8 Cl16 Co8 N80 S16 -","8","0.5","","Liu, Yu-Ling; Zhang, Wen","Cation-templated cyanometallate-based supramolecular rectangular cage compounds showing dielectric transitions","Inorganic Chemistry Frontiers","2017","4","8","1304","","10.1039/C7QI00218A","","","0.71073","MoKα","","0.1389","0.1381","","","0.2312","0.2315","","","","","","1.175","","","","has coordinates","235765","2020-10-21","18:00:00",""
"4349984","20.6353","0.0003","20.6353","0.0003","36.9677","0.0009","90","","90","","90","","15741.4","0.5","150","2","150","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C180 H64 Cl8 N16 Y2 -","- C180 H64 Cl8 N16 Y2 -","- C720 H256 Cl32 N64 Y8 -","4","0.25","","Wang, Chiming; Wang, Hailong; Liu, Chenxi; Qi, Dongdong; Jiang, Jianzhuang","Molecular assembly-induced charge transfer between a mixed (phthalocyaninato)(porphyrinato) yttrium triple-decker and a fullerene","Inorganic Chemistry Frontiers","2019","6","3","654","","10.1039/C8QI01340C","","","0.71073","MoKα","","0.1184","0.0698","","","0.1902","0.2084","","","","","","1.05","","","","has coordinates,has disorder","237000","2020-10-21","18:00:00",""
"4500465","11.967","0.0003","11.967","0.0003","28.6669","0.0007","90","","90","","90","","4105.36","0.18","173","2","173","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C18 H11 Ag4 N O8 -","- C18 H11 Ag4 N O8 -","- C144 H88 Ag32 N8 O64 -","8","0.5","","Sun, Di; Wei, Zhan-Hua; Wang, Dan-Feng; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","Acetonitrile-Templated Assembly of a Laminar Silver(I) Phthalate Coordination Polymer","Crystal Growth & Design","2011","11","5","1427","","10.1021/cg101562p","","","0.71073","MoKα","","0.0399","0.033","","","0.0834","0.0865","","","","","","1.082","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4502048","15.896","0.002","15.896","0.002","15.505","0.003","90","","90","","90","","3917.8","1","293","2","293","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C30 H20 Co N6 O5 S4 -","- C30 H20 Co N6 O5 S4 -","- C120 H80 Co4 N24 O20 S16 -","4","0.25","","Callejo, Lorena M.; de la Pinta, Noelia; Madariaga, Gotzon; Fidalgo, Luz; Lezama, Luis; Cortés, Roberto","Structural, Spectroscopic, and Magnetic Characterization of the Coordination Polymers [MII(NCS)2(bpe)2]·3H2O·2C2H6SO [M = Co, Ni; bpe = 1,2-Bis(4-pyridyl)ethylene]. Two Interpenetrated Porous Networks","Crystal Growth & Design","2010","10","11","4874","","10.1021/cg100919a","","","0.71069","MoKα","","0.1048","0.0513","","","0.144","0.172","","","","","","1.003","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502049","15.6228","0.0019","15.6228","0.0019","15.732","0.002","90","","90","","90","","3839.7","0.8","293","2","293","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C30 H20 N6 Ni O5 S4 -","- C30 H20 N6 Ni O5 S4 -","- C120 H80 N24 Ni4 O20 S16 -","4","0.25","","Callejo, Lorena M.; de la Pinta, Noelia; Madariaga, Gotzon; Fidalgo, Luz; Lezama, Luis; Cortés, Roberto","Structural, Spectroscopic, and Magnetic Characterization of the Coordination Polymers [MII(NCS)2(bpe)2]·3H2O·2C2H6SO [M = Co, Ni; bpe = 1,2-Bis(4-pyridyl)ethylene]. Two Interpenetrated Porous Networks","Crystal Growth & Design","2010","10","11","4874","","10.1021/cg100919a","","","0.71069","MoKα","","0.1162","0.0418","","","0.096","0.1075","","","","","","1.03","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502473","25.992","0.004","25.992","0.004","23.403","0.005","90","","90","","90","","15811","5","153","2","153","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C58 H46 Br4 Cl5 N8 O12 Tb3 -","- C58 H46 Br4 Cl5 N8 O12 Tb3 -","- C464 H368 Br32 Cl40 N64 O96 Tb24 -","8","0.5","","Yang, Xiaoping; Jones, Richard A.; Wiester, Michael J.; Oye, Michael M.; Wong, Wai-Kwok","Transformation of a Luminescent Benzimidazole-Based Yb3Cluster into a One-Dimensional Coordination Polymer","Crystal Growth & Design","2010","10","2","970","","10.1021/cg901283k","","","0.71073","MoKα","","0.1879","0.0962","","","0.2024","0.2334","","","","","","1.026","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502474","25.943","0.004","25.943","0.004","23.312","0.005","90","","90","","90","","15690","5","153","2","153","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C58 H46 Br4 Cl5 Er3 N8 O12 -","- C58 H46 Br4 Cl5 Er3 N8 O12 -","- C464 H368 Br32 Cl40 Er24 N64 O96 -","8","0.5","","Yang, Xiaoping; Jones, Richard A.; Wiester, Michael J.; Oye, Michael M.; Wong, Wai-Kwok","Transformation of a Luminescent Benzimidazole-Based Yb3Cluster into a One-Dimensional Coordination Polymer","Crystal Growth & Design","2010","10","2","970","","10.1021/cg901283k","","","0.71073","MoKα","","0.1026","0.0615","","","0.1563","0.1864","","","","","","1.05","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502475","25.902","0.004","25.902","0.004","23.203","0.005","90","","90","","90","","15567","5","153","2","153","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C58 H46 Br4 Cl5 N8 O12 Yb3 -","- C58 H46 Br4 Cl5 N8 O12 Yb3 -","- C464 H368 Br32 Cl40 N64 O96 Yb24 -","8","0.5","","Yang, Xiaoping; Jones, Richard A.; Wiester, Michael J.; Oye, Michael M.; Wong, Wai-Kwok","Transformation of a Luminescent Benzimidazole-Based Yb3Cluster into a One-Dimensional Coordination Polymer","Crystal Growth & Design","2010","10","2","970","","10.1021/cg901283k","","","0.71073","MoKα","","0.0897","0.0563","","","0.1461","0.1716","","","","","","1.077","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502476","25.912","0.004","25.912","0.004","22.76","0.005","90","","90","","90","","15282","5","153","2","153","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C64 H52 Br4 Cl N8 O16 Yb3 -","- C64 H52 Br4 Cl N8 O16 Yb3 -","- C512 H416 Br32 Cl8 N64 O128 Yb24 -","8","0.5","","Yang, Xiaoping; Jones, Richard A.; Wiester, Michael J.; Oye, Michael M.; Wong, Wai-Kwok","Transformation of a Luminescent Benzimidazole-Based Yb3Cluster into a One-Dimensional Coordination Polymer","Crystal Growth & Design","2010","10","2","970","","10.1021/cg901283k","","","0.71073","MoKα","","0.1578","0.0958","","","0.1656","0.2484","","","","","","0.989","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4503875","8.9632","0.0004","8.9632","0.0004","7.977","0.003","90","","90","","90","","640.9","0.2","293","2","293","2","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- H4 O9 P2 V -","- H4 O9 P2 V -","- H16 O36 P8 V4 -","4","0.25","","Sen, Rupam; Bera, Rajesh; Bhattacharjee, Ashis; Gütlich, Philipp; Ghosh, Soumen; Mukherjee, Alok K.; Koner, Subratanath","Oxo-vanadium(IV) dihydrogen phosphate: preparation, magnetic study, and heterogeneous catalytic epoxidation.","Langmuir : the ACS journal of surfaces and colloids","2008","24","11","5970","5975","10.1021/la7040086","","","0.71073","MoKα","","0.0544","0.0497","","","0.1158","0.1186","","","","","","1.166","","","","has coordinates","179573","2020-10-21","18:00:00",""
"4505114","16.393","0.002","16.393","0.002","26.063","0.005","90","","90","","90","","7003.9","1.8","293","2","293","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","(TTF(CH2OH)4)4, Re6S8Cl6","[TTF(CH2OH)4]4[Re6S8Cl6]","","- C40 H48 Cl6 O16 Re6 S24 -","- C40 H48 Cl6 O16 Re6 S24 -","- C160 H192 Cl24 O64 Re24 S96 -","4","0.25","","Perruchas, Sandrine; Boubekeur, Kamal; Batail, Patrick","Hydrogen Bonds in Radical Cation Salts of TTF(CH2OH)4: First Complete Series with the Octahedral Rhenium Cluster Anions [Re6S8-nCl6+n]n-4(n= 0, 1, 2, 3)","Crystal Growth & Design","2005","5","4","1585","","10.1021/cg0500573","","","0.71073","MoKα","","0.0502","0.0245","","","0.044","0.0485","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505216","14.6317","0.0002","14.6317","0.0002","15.875","0.0006","90","","90","","90","","3398.63","0.14","293","2","293","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C20 H44 Cl2 Cu O12 S4 -","- C20 H44 Cl2 Cu O12 S4 -","- C80 H176 Cl8 Cu4 O48 S16 -","4","0.25","","Li, Jian-Rong; Bu, Xian-He; Zhang, Ruo-Hua; Ribas, Joan","Flexible Disulfoxides as Bridging Ligands for Copper(II) Coordination Architectures: Fine Tuning the Complex Structures by Ligand Modifications","Crystal Growth & Design","2005","5","5","1919","","10.1021/cg050181m","","","0.71073","MoKα","","0.1034","0.0598","","","0.1482","0.1807","","","","","","1.091","","","","has coordinates,has disorder","179587","2020-10-21","18:00:00",""
"4507874","18.2679","0.0003","18.2679","0.0003","15.9522","0.0005","90","","90","","90","","5323.5","0.2","180","2","180","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C24 H18 Cu F6 N4 O4 Si -","- C24 H18 Cu F6 N4 O4 Si -","- C96 H72 Cu4 F24 N16 O16 Si4 -","4","0.25","","Xiong, Shunshun; He, Yabing; Krishna, Rajamani; Chen, Banglin; Wang, Zhiyong","Metal‒Organic Framework with Functional Amide Groups for Highly Selective Gas Separation","Crystal Growth & Design","2013","13","6","2670","","10.1021/cg4004438","","","1.54184","CuKα","","0.0943","0.0812","","","0.2189","0.228","","","","","","1.081","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4509107","22.292","0.004","22.292","0.004","18.692","0.005","90","","90","","90","","9289","3","291","2","291","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C88 H72 Cd3 N20 O15 -","- C88 H72 Cd3 N20 O15 -","- C352 H288 Cd12 N80 O60 -","4","0.25","","Liang, Xiao-Qiang; Zhou, Xin-Hui; Chen, Chao; Xiao, Hong-Ping; Li, Yi-Zhi; Zuo, Jing-Lin; You, Xiao-Zeng","Self-Assembly of Metal−Organic Coordination Polymers Constructed from a Versatile Multipyridyl Ligand: Diversity of Coordination Modes and Structures","Crystal Growth & Design","2009","9","2","1041","","10.1021/cg8008859","","","0.71073","MoKα","","0.0583","0.0461","","","0.1403","0.1468","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509515","11.0058","0.0005","11.0058","0.0005","20.8311","0.0011","90","","90","","90","","2523.2","0.2","223","2","223","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","3,3',5,5'-Tetramethyl-4,4'-bipyrazolium octachlorodirhenate(III), Dihydrate","","- C10 H20 Cl8 N4 O2 Re2 -","- C10 H20 Cl8 N4 O2 Re2 -","- C40 H80 Cl32 N16 O8 Re8 -","4","0.25","","Boldog, Ishtvan; Daran, Jean-Claude; Chernega, Alexander N.; Rusanov, Eduard B.; Krautscheid, Harald; Domasevitch, Konstantin V.","Hydrogen Bonding Patterns and Supramolecular Structure of 4,4′-Bipyrazolium Salts","Crystal Growth & Design","2009","9","6","2895","","10.1021/cg9002109","","","0.71073","MoKα","","0.0452","0.0302","","","0.0702","0.0759","","","","","","1.088","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509594","11.659","0.004","11.659","","27.431","0.002","90","","90","","90","","3728.8","1.3","100","2","100","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C29 H36 Ca O20 P4 -","- C29 H22 Ca O20 P4 -","- C116 H88 Ca4 O80 P16 -","4","0.25","","Martin, Adam D.; Sobolev, Alexandre N.; Spackman, Mark A.; Raston, Colin L.","Variable Intercalation of Calcium Ions in Bilayers of Partially Deprotonatedp-Phosphonic Acid Calix[4]arene","Crystal Growth & Design","2009","9","8","3759","","10.1021/cg9004467","","","1.54178","CuKα","","0.1725","0.1392","","","0.3449","0.3625","","","","","","1.006","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4511652","18.7912","0.0008","18.7912","0.0008","16.8886","0.001","90","","90","","90","","5963.5","0.5","173","2","173","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C18 H10 Cu N O5 -","- C15.5556 H8 Cu0.888889 N0.888889 O3.55556 -","- C280 H144 Cu16 N16 O64 -","18","1.125","","Abourahma, Heba; Bodwell, Graham J.; Lu, Jianjiang; Moulton, Brian; Pottie, Ian R.; Walsh, Rosa Bailey; Zaworotko, Michael J.","Coordination Polymers from Calixarene-Like [Cu2(Dicarboxylate)2]4Building Blocks: Structural Diversity via Atropisomerism","Crystal Growth & Design","2003","3","4","513","","10.1021/cg0340345","","","0.71073","MoKα","","0.068","0.0407","","","0.1063","0.1139","","","","","","0.866","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511656","18.8743","0.0016","18.8743","0.0016","17.356","0.003","90","","90","","90","","6182.9","1.3","200","2","200","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C30 H28 Cu2 N2 O12 -","- C30 H26 Cu2 N2 O12 -","- C240 H208 Cu16 N16 O96 -","8","0.5","","Abourahma, Heba; Bodwell, Graham J.; Lu, Jianjiang; Moulton, Brian; Pottie, Ian R.; Walsh, Rosa Bailey; Zaworotko, Michael J.","Coordination Polymers from Calixarene-Like [Cu2(Dicarboxylate)2]4Building Blocks: Structural Diversity via Atropisomerism","Crystal Growth & Design","2003","3","4","513","","10.1021/cg0340345","","","0.71073","MoKα","","0.1562","0.0525","","","0.115","0.1659","","","","","","1.068","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4512188","13.5883","0.0009","13.5883","0.0009","17.9216","0.0014","90","","90","","90","","3309.1","0.4","293","2","293","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C28 H20 Br2 Cu5 N16 O4 P -","- C28 H20 Br2 Cu5 N16 O4 P -","- C112 H80 Br8 Cu20 N64 O16 P4 -","4","0.25","","Qi, Zhi-Kai; Liu, Jun-Liang; Hou, Juan-Juan; Liu, Min-Min; Zhang, Xian-Ming","Planar Cu2(ppz)2Dimers as SBUs for Diverse Polyoxometalate-Based Metal Organic Frameworks","Crystal Growth & Design","2014","14","11","5773","","10.1021/cg5010402","","","0.71073","MoKα","","0.0785","0.0608","","","0.169","0.1827","","","","","","1.072","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4518652","7.35482","0.00014","7.35482","","15.5119","0.0004","90","","90","","90","","839.09","0.03","298","","298","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- Ca0.2 Cu O10 Si4 Sr0.8 -","- Ca0.2 Cu O10 Si4 Sr0.8 -","- Ca0.8 Cu4 O40 Si16 Sr3.2 -","4","0.25","","Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang","Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi<sub>4</sub>O<sub>10</sub> (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the <i>Q</i> ×<i>f</i> Value via Machine Learning.","ACS applied materials & interfaces","2021","13","15","17817","17826","10.1021/acsami.1c01909","powder diffraction","","","","","","","","","","","","","1.27","","","","","","","has coordinates","264771","2021-05-03","18:49:47",""
"4518653","7.335","0.0007","7.335","","15.4083","0.0015","90","","90","","90","","829","0.11","298","","298","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- Ca0.4 Cu O10 Si4 Sr0.6 -","- Ca0.4 Cu O10 Si4 Sr0.6 -","- Ca1.6 Cu4 O40 Si16 Sr2.4 -","4","0.25","","Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang","Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi<sub>4</sub>O<sub>10</sub> (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the <i>Q</i> ×<i>f</i> Value via Machine Learning.","ACS applied materials & interfaces","2021","13","15","17817","17826","10.1021/acsami.1c01909","powder diffraction","","","","","","","","","","","","","1.24","","","","","","","has coordinates","264772","2021-05-03","18:50:10",""
"4518654","7.342","0.0007","7.342","","15.4547","0.0015","90","","90","","90","","833.09","0.11","298","","298","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- Ca0.3 Cu O10 Si4 Sr0.7 -","- Ca0.3 Cu O10 Si4 Sr0.7 -","- Ca1.2 Cu4 O40 Si16 Sr2.8 -","4","0.25","","Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang","Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi<sub>4</sub>O<sub>10</sub> (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the <i>Q</i> ×<i>f</i> Value via Machine Learning.","ACS applied materials & interfaces","2021","13","15","17817","17826","10.1021/acsami.1c01909","powder diffraction","","","","","","","","","","","","","1.19","","","","","","","has coordinates","264773","2021-05-03","18:50:31",""
"4518655","7.3633","0.0007","7.3633","","15.5607","0.0014","90","","90","","90","","843.67","0.11","298","","298","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- Ca0.1 Cu O10 Si4 Sr0.9 -","- Ca0.1 Cu O10 Si4 Sr0.9 -","- Ca0.4 Cu4 O40 Si16 Sr3.6 -","4","0.25","","Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang","Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi<sub>4</sub>O<sub>10</sub> (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the <i>Q</i> ×<i>f</i> Value via Machine Learning.","ACS applied materials & interfaces","2021","13","15","17817","17826","10.1021/acsami.1c01909","powder diffraction","","","","","","","","","","","","","1.33","","","","","","","has coordinates","264774","2021-05-03","18:50:58",""
"4518656","7.2986","0.0006","7.2986","","15.1269","0.0012","90","","90","","90","","805.8","0.09","298","","298","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- Ca Cu O10 Si4 -","- Ca Cu O10 Si4 -","- Ca4 Cu4 O40 Si16 -","4","0.25","","Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang","Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi<sub>4</sub>O<sub>10</sub> (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the <i>Q</i> ×<i>f</i> Value via Machine Learning.","ACS applied materials & interfaces","2021","13","15","17817","17826","10.1021/acsami.1c01909","powder diffraction","","","","","","","","","","","","","1.17","","","","","","","has coordinates","264775","2021-05-03","18:51:19",""
"4518657","7.31379","0.00013","7.31379","","15.2284","0.0004","90","","90","","90","","814.59","0.03","298","","298","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- Ca0.8 Cu O10 Si4 Sr0.2 -","- Ca0.8 Cu O10 Si4 Sr0.2 -","- Ca3.2 Cu4 O40 Si16 Sr0.8 -","4","0.25","","Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang","Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi<sub>4</sub>O<sub>10</sub> (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the <i>Q</i> ×<i>f</i> Value via Machine Learning.","ACS applied materials & interfaces","2021","13","15","17817","17826","10.1021/acsami.1c01909","powder diffraction","","","","","","","","","","","","","1.2","","","","","","","has coordinates","264776","2021-05-03","18:51:40",""
"4518658","7.4432","0.0009","7.4432","","16.1448","0.0019","90","","90","","90","","894.44","0.15","298","","298","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- Ba Cu O10 Si4 -","- Ba Cu O10 Si4 -","- Ba4 Cu4 O40 Si16 -","4","0.25","","Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang","Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi<sub>4</sub>O<sub>10</sub> (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the <i>Q</i> ×<i>f</i> Value via Machine Learning.","ACS applied materials & interfaces","2021","13","15","17817","17826","10.1021/acsami.1c01909","powder diffraction","","","","","","","","","","","","","1.8","","","","","","","has coordinates","264777","2021-05-03","18:52:02",""
"4518659","7.3129","0.0007","7.3129","","15.2631","0.0015","90","","90","","90","","816.25","0.11","298","","298","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- Ca0.7 Cu O10 Si4 Sr0.3 -","- Ca0.7 Cu O10 Si4 Sr0.3 -","- Ca2.8 Cu4 O40 Si16 Sr1.2 -","4","0.25","","Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang","Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi<sub>4</sub>O<sub>10</sub> (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the <i>Q</i> ×<i>f</i> Value via Machine Learning.","ACS applied materials & interfaces","2021","13","15","17817","17826","10.1021/acsami.1c01909","powder diffraction","","","","","","","","","","","","","1.38","","","","","","","has coordinates","264778","2021-05-03","18:52:23",""
"4518660","7.3033","0.0005","7.3033","","15.1774","0.0011","90","","90","","90","","809.54","0.08","298","","298","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- Ca0.9 Cu O10 Si4 Sr0.1 -","- Ca0.9 Cu O10 Si4 Sr0.1 -","- Ca3.6 Cu4 O40 Si16 Sr0.4 -","4","0.25","","Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang","Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi<sub>4</sub>O<sub>10</sub> (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the <i>Q</i> ×<i>f</i> Value via Machine Learning.","ACS applied materials & interfaces","2021","13","15","17817","17826","10.1021/acsami.1c01909","powder diffraction","","","","","","","","","","","","","1.04","","","","","","","has coordinates","264779","2021-05-03","18:52:43",""
"4518661","7.3223","0.0008","7.3223","","15.32","0.0017","90","","90","","90","","821.4","0.13","298","","298","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- Ca0.6 Cu O10 Si4 Sr0.4 -","- Ca0.6 Cu O10 Si4 Sr0.4 -","- Ca2.4 Cu4 O40 Si16 Sr1.6 -","4","0.25","","Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang","Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi<sub>4</sub>O<sub>10</sub> (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the <i>Q</i> ×<i>f</i> Value via Machine Learning.","ACS applied materials & interfaces","2021","13","15","17817","17826","10.1021/acsami.1c01909","powder diffraction","","","","","","","","","","","","","1.03","","","","","","","has coordinates","264780","2021-05-03","18:53:04",""
"4518662","7.32","0.0005","7.32","","15.3171","0.001","90","","90","","90","","820.73","0.08","298","","298","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- Ca0.5 Cu O10 Si4 Sr0.5 -","- Ca0.5 Cu O10 Si4 Sr0.5 -","- Ca2 Cu4 O40 Si16 Sr2 -","4","0.25","","Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang","Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi<sub>4</sub>O<sub>10</sub> (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the <i>Q</i> ×<i>f</i> Value via Machine Learning.","ACS applied materials & interfaces","2021","13","15","17817","17826","10.1021/acsami.1c01909","powder diffraction","","","","","","","","","","","","","1.04","","","","","","","has coordinates","264781","2021-05-03","18:53:25",""
"4518663","7.3703","0.0007","7.3703","","15.5999","0.0015","90","","90","","90","","847.41","0.11","298","","298","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- Cu O10 Si4 Sr -","- Cu O10 Si4 Sr -","- Cu4 O40 Si16 Sr4 -","4","0.25","","Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang","Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi<sub>4</sub>O<sub>10</sub> (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the <i>Q</i> ×<i>f</i> Value via Machine Learning.","ACS applied materials & interfaces","2021","13","15","17817","17826","10.1021/acsami.1c01909","powder diffraction","","","","","","","","","","","","","1.5","","","","","","","has coordinates","264782","2021-05-03","18:53:45",""
"7000245","14.7752","0.0003","14.7752","0.0003","23.5966","0.0013","90","","90","","90","","5151.3","0.3","103","2","103","2","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- C44 H76 Hf O16 -","- C44 H76 Hf O16 -","- C176 H304 Hf4 O64 -","4","0.25","","Pothiraja, Ramasamy; Milanov, Andrian; Parala, Harish; Winter, Manuela; Fischer, Roland A.; Devi, Anjana","Monomeric malonate precursors for the MOCVD of HfO2 and ZrO2 thin films","Dalton Transactions","2009","","4","654","","10.1039/b810528f","","","0.71073","MoKα","","0.0731","0.0248","","","0.0338","0.038","","","","","","0.675","","","","has coordinates","179680","2020-10-21","18:00:00",""
"7001091","11.243","0.003","11.243","0.003","15.773","0.004","90","","90","","90","","1993.8","0.9","93","2","93","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C20 H20 Cu F4 Mo N4 O4 -","- C20 H20 Cu F4 Mo N4 O4 -","- C80 H80 Cu4 F16 Mo4 N16 O16 -","4","0.25","","Mahenthirarajah, Thushitha; Li, Yang; Lightfoot, Philip","Organic‒inorganic hybrid chains and layers constructed from copper-amine cations and early transition metal (Nb, Mo) oxyfluoride anions","Dalton Transactions","2009","","17","3280","3285","10.1039/b900356h","","","0.71073","MoKα","","0.0764","0.0737","","","0.2624","0.2664","","","","","","0.923","","","","has coordinates","179688","2020-10-21","18:00:00",""
"7001092","11.34","0.004","11.34","0.004","15.657","0.005","90","","90","","90","","2013.4","1.2","93","2","93","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C20 H20 Cu F5 N4 Nb O3 -","- C20 H20 Cu F5 N4 Nb O3 -","- C80 H80 Cu4 F20 N16 Nb4 O12 -","4","0.25","","Mahenthirarajah, Thushitha; Li, Yang; Lightfoot, Philip","Organic‒inorganic hybrid chains and layers constructed from copper-amine cations and early transition metal (Nb, Mo) oxyfluoride anions","Dalton Transactions","2009","","17","3280","3285","10.1039/b900356h","","","0.71073","MoKα","","0.064","0.0515","","","0.1452","0.1689","","","","","","0.589","","","","has coordinates","179688","2020-10-21","18:00:00",""
"7003412","16.1919","0.0006","16.1919","0.0005","19.7472","0.0008","90","","90","","90","","5177.3","0.3","293","2","293","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C28 H18 N2 O4 Zn -","- C28 H18 N2 O4 Zn -","- C224 H144 N16 O32 Zn8 -","8","0.5","","Cheng, Ai-Ling; Ma, Yu; Zhang, Jian-Yong; Gao, En-Qing","Towards tuning the packing and entanglement of zigzag coordination chains by terminal ligands","Dalton Transactions","2008","","15","1993","2004","10.1039/b715949h","","","0.71073","MoKα","","0.2227","0.0803","","","0.274","0.3243","","","","","","0.989","","","","has coordinates","179738","2020-10-21","18:00:00",""
"7007057","15.9683","0.0007","15.9683","0.0007","41.456","0.002","90","","90","","90","","10570.7","0.8","150","1","150","1","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","(Ni6(bpyany)4Cl2)(PF6)","","","- C80 H68 Cl18 F6 N24 Ni6 O2 P -","- C80 H68 Cl18 F6 N24 Ni6 O2 P -","- C320 H272 Cl72 F24 N96 Ni24 O8 P4 -","4","0.25","","Chien, Chih-Hsien; Chang, Jung-Che; Yeh, Chen-Yu; Lee, Gene-Hsiang; Fang, Jim-Min; Song, You; Peng, Shie-Ming","Weak antiferromagnetic coupling for novel linear hexanuclear nickel(II) string complexes (Ni6 12+) and partial metal-metal bonds in their one-electron reduction products (Ni6 11+).","Dalton transactions (Cambridge, England : 2003)","2006","","26","3249","3256","10.1039/b516749c","","","0.71073","MoKα","","0.1694","0.1106","","","0.3232","0.3818","","","","","","1.047","","","","has coordinates,has disorder","179774","2020-10-21","18:00:00",""
"7007662","14.1897","0.001","14.1897","0.001","17.504","0.003","90","","90","","90","","3524.4","0.7","110","2","110","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C32 H56 Cl Mo2 N12 -","- C32 H56 Cl Mo2 N12 -","- C128 H224 Cl4 Mo8 N48 -","4","0.25","","Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiaoping; Wilkinson, Chad C.","Strong reducing agents containing dimolybdenum Mo2(4+) units and their oxidized cations with Mo2(5+/6+) cores stabilized by bicyclic guanidinate anions with a seven-membered ring.","Dalton transactions (Cambridge, England : 2003)","2006","","38","4623","4631","10.1039/b608422b","","","1.54178","CuKα","","0.0892","0.0362","","","0.086","0.1307","","","","","","0.925","","","","has coordinates,has disorder","179780","2020-10-21","18:00:00",""
"7007728","26.501","0.005","26.501","0.005","14.814","0.005","90","","90","","90","","10404","4","153","2","153","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C60 H56 F6 N4 P Tl -","- C60 H56 F6 N4 P Tl -","- C480 H448 F48 N32 P8 Tl8 -","8","0.5","","Hill, Nicholas J.; Reeske, Gregor; Moore, Jennifer A.; Cowley, Alan H.","Complexes of 1,2-bis(aryl-imino)acenaphthene (Ar-BIAN) ligands with some heavy p-block elements.","Dalton transactions (Cambridge, England : 2003)","2006","","40","4838","4844","10.1039/b609737e","","","0.71069","MoKα","","0.1123","0.0355","","","0.0638","0.0822","","","","","","0.951","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7009196","14.929","0.005","14.9289","","14.32","0.007","90","","90","","90","","3191.5","1.9","296.2","","296.2","","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C28 H31 Cr N6 O Pt S4 -","- C26 H24 Cr0.25 N5 O0.25 Pt0.25 S4 -","- C104 H96 Cr N20 O Pt S16 -","4","0.25","","Ken'ichi Kitano; Rika Tanaka; Takahiro Kimura; Toshiyuki Tsuda; Seiji Shimizu; Hideaki Takagi; Takanori Nishioka; Daisuke Shiomi; Akio Ichimura; Isamu Kinoshita; Kiyoshi Isobe; Shun'ichiro Ooi","Lantern-type dinuclear CrIIIPtII and VIVPtII complexes bridged by pyridine-2-thiolate. Synthesis and characterization","J. Chem. Soc., Dalton Trans.","2000","","6","995","1000","10.1039/a909241b","","","0.7107","MoKα","","","0.034","","","0.0479","","","","","1.635","1.635","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7009197","15.35","0.002","15.35","0.002","14.27","0.003","90","","90","","90","","3362.3","0.9","296.2","","296.2","","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C24 H24 N4 O Pt S4 V -","- C24 H24 N4 O0.25 Pt0.25 S4 V0.25 -","- C96 H96 N16 O Pt S16 V -","4","0.25","","Ken'ichi Kitano; Rika Tanaka; Takahiro Kimura; Toshiyuki Tsuda; Seiji Shimizu; Hideaki Takagi; Takanori Nishioka; Daisuke Shiomi; Akio Ichimura; Isamu Kinoshita; Kiyoshi Isobe; Shun'ichiro Ooi","Lantern-type dinuclear CrIIIPtII and VIVPtII complexes bridged by pyridine-2-thiolate. Synthesis and characterization","J. Chem. Soc., Dalton Trans.","2000","","6","995","1000","10.1039/a909241b","","","0.7107","MoKα","","","0.0616","","","0.1022","","","","","2.891","2.891","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7010154","10.767","0.002","10.767","0.002","21.03","0.003","90","","90","","90","","2438","0.7","150","2","150","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","{[Cu(4-apy)2(OH2)2](SiF6)(H2O)","Copper(II) trans-azobis(4-pyridine) Hexafluorosilicate Water Adduct","","- C20 H22 Cu F6 N8 O3 Si -","- C20 H21 Cu F6 N8 O3 Si -","- C80 H84 Cu4 F24 N32 O12 Si4 -","4","0.25","","Withersby, Matthew A.; Blake, Alexander J.; Champness, Neil R.; Cooke, Paul A.; Hubberstey, Peter; Realf, Annabel L.; Teat, Simon J.; Schröder, Martin","Engineering of co-ordination polymers of trans-4,4'-azobis(pyridine) and trans-1,2-bis(pyridin-4-yl)ethene: a range of interpenetrated network motifs","Journal of the Chemical Society, Dalton Transactions","2000","","19","3261","","10.1039/b006543i","","","0.6917","Synchrotron","","0.0487","0.035","","","0.0879","0.0937","","","","","","1.071","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7012793","13.346","0.003","13.346","0.003","17.273","0.005","90","","90","","90","","3076.6","1.3","294","","","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C27 H18 Fe2 N16 O -","- C27 H18 Fe2 N16 O4 -","- C108 H72 Fe8 N64 O16 -","4","0.25","","Sugiyarto, Kristian H.; McHale, Wendy-Anne; Craig, Donald C.; Rae, A. David; Scudder, Marcia L.; Goodwin, Harold A.","Spin transition centres linked by the nitroprusside ion. The cooperative transition in bis(2,6-bis(pyrazol-3-yl)pyridine)iron(ii) nitroprusside","Dalton Transactions","2003","","12","2443","","10.1039/b301218b","","","0.71073","MoKα","","","0.034","","","","0.041","","","","","","1.09","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7015329","16.78","0.003","16.78","0.003","18.814","0.008","90","","90","","90","","5297","3","296","2","296","2","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- C41.05 H58.1 Ni4 O20 -","- C41.052 H58.104 Ni4 O20 -","- C164.208 H232.416 Ni16 O80 -","4","0.25","","Zhang, Shu-Hua; Li, Ning; Ge, Cheng-Min; Feng, Chao; Ma, Lu-Fang","Structures and magnetism of {Ni2Na2}, {Ni4} and {Ni6(II)Ni(III)} 2-hydroxy-3-alkoxy-benzaldehyde clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","3000","3007","10.1039/c0dt01498b","","","0.71073","MoKα","","0.0936","0.0589","","","0.1627","0.2134","","","","","","1.083","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7015604","12.733","0.0005","12.733","0.0005","8.03","0.0004","90","","90","","90","","1301.9","0.1","93","2","93","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C2 H10 F4 N2 O V -","- C2 H10 F4 N2 O V -","- C16 H80 F32 N16 O8 V8 -","8","0.5","","Aidoudi, Farida H.; Byrne, Peter J.; Allan, Pheobe K.; Teat, Simon J.; Lightfoot, Philip; Morris, Russell E.","Ionic liquids and deep eutectic mixtures as new solvents for the synthesis of vanadium fluorides and oxyfluorides.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4324","4331","10.1039/c0dt01765e","","","0.71073","MoKα","","0.0665","0.0541","","","0.1305","0.1354","","","","","","1.263","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7018321","19.2584","0.0002","19.2584","0.0002","32.3309","0.0005","90","","90","","90","","11991.1","0.3","150","2","150","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C108.5 H89 Au4 Cl9 F24 P12 -","- C104 H80 Au4 F18 P11 -","- C416 H320 Au16 F72 P44 -","4","0.25","","Bhargava, Suresh; Kitadai, Kunihiko; Masashi, Takahashi; Drumm, Daniel W.; Russo, Salvy P.; Yam, Vivian Wing-Wah; Lee, Terence Kwok-Ming; Wagler, Jörg; Mirzadeh, Nedaossadat","Synthesis and structures of cyclic gold complexes containing diphosphine ligands and luminescent properties of the high nuclearity species.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4789","4798","10.1039/c2dt11722c","","","0.71073","MoKα","","0.0703","0.0468","","","0.1484","0.1586","","","","","","1.05","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7018796","14.406","0.002","14.406","0.002","15.906","0.003","90","","90","","90","","3301","0.9","293","2","293","2","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C21 H32 Cu F3 N8 O3 S Se4 -","- C21 H32 Cu F3 N8 O3 S Se4 -","- C84 H128 Cu4 F12 N32 O12 S4 Se16 -","4","0.25","","Kimani, Martin M.; Wang, Hsiao C.; Brumaghim, Julia L.","Investigating the copper coordination, electrochemistry, and Cu(ii) reduction kinetics of biologically relevant selone and thione compounds.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5248","5259","10.1039/c2dt11731b","","x-ray","0.71073","MoKα","","0.0896","0.0751","","","0.1928","0.2097","","","","","","1.097","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7019952","11.1891","0.0006","11.1891","0.0006","14.0286","0.0014","90","","90","","90","","1756.3","0.2","291","2","291","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C8 H10 Ce N8 O5 W -","- C8 H10 Ce N8 O5 W -","- C32 H40 Ce4 N32 O20 W4 -","4","0.25","","Zhou, Hu; Diao, Guo-Wang; Qian, Su-Yan; Yang, Xiao-Zhen; Yuan, Ai-Hua; Song, You; Li, Yi-Zhi","Lanthanide-ion-tuned magnetic properties in a series of three-dimensional cyano-bridged Ln(III)W(V) assemblies.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10690","10697","10.1039/c2dt30615h","","","0.71073","MoKα","","0.0315","0.0161","","","0.0616","0.0755","","","","","","1.023","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7021473","16.2782","0.0003","16.2782","0.0003","30.4992","0.0012","90","","90","","90","","8081.7","0.4","185","2","185","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C20 H12 N O7 Zn2 -","- C20 H12 N O7 Zn2 -","- C320 H192 N16 O112 Zn32 -","16","1","","Song, Xue-Zhi; Song, Shu-Yan; Zhao, Shu-Na; Hao, Zhao-Min; Zhu, Min; Meng, Xing; Zhang, Hong-Jie","Two high-connected metal-organic frameworks based on d(10)-metal clusters: syntheses, structural topologies and luminescent properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8183","8187","10.1039/c3dt50687h","","","0.71073","MoKα","","0.0761","0.0513","","","0.1356","0.146","","","","","","1.069","","","","has coordinates","201370","2020-10-21","18:00:00",""
"7022588","16.752","0.0001","16.752","0.0001","18.6693","0.0003","90","","90","","90","","5239.16","0.1","296","2","296","2","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- C46 H72 Co4 O22 -","- C46 H72 Co4 O22 -","- C184 H288 Co16 O88 -","4","0.25","","Zhang, Kun; Dai, Jun; Wang, Yun-Hong; Zeng, Ming-Hua; Kurmoo, Mohamedally","Microwave and traditional solvothermal syntheses, crystal structures, mass spectrometry and magnetic properties of Co(II)4O4 cubes.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5439","5446","10.1039/c3dt00121k","","","0.71073","MoKα","","0.0613","0.0481","","","0.1325","0.1488","","","","","","1.077","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7023745","17.656","0.003","17.656","0.003","15.5791","0.001","90","","90","","90","","4856.5","1.2","100","2","100","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","Bis(diaqua(1,4,10,13-tetraoxa-7,16-dithiacyclooctadecane)tin(II)) tris-hexafluorophosphate fluoride","","- C24 H56 F19 O12 P3 S4 Sn2 -","- C24 H48 F19 O12 P3 S4 Sn2 -","- C96 H192 F76 O48 P12 S16 Sn8 -","4","0.25","","Beattie, Christopher; Farina, Paolo; Levason, William; Reid, Gillian","Oxa-thia-, oxa-selena and crown ether macrocyclic complexes of tin(ii) tetrafluoroborate and hexafluorophosphate - synthesis, properties and structures.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15183","15190","10.1039/c3dt51889b","","","0.71073","MoKα","","0.0593","0.047","","","0.1283","0.135","","","","","","1.079","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7024380","12.283","0.005","12.283","0.005","13.86","0.004","90","","90","","90","","2091.1","1.3","120","2","120","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","tetrafluoro-tetrakis(dimethylsulfide-S)niobium(V) hexafluoroniobate(V)","tetrafluoro-tetrakis(dimethylsulfide-S)niobium(V) hexafluoroniobate(V)","","- C8 H24 F10 Nb2 S4 -","- C8 H24 F10 Nb2 S4 -","- C32 H96 F40 Nb8 S16 -","4","0.25","","Jura, Marek; Levason, William; Ratnani, Raju; Reid, Gillian; Webster, Michael","Six- and eight-coordinate thio- and seleno-ether complexes of NbF5 and some comparisons with NbCl5 and NbBr5 adducts.","Dalton transactions (Cambridge, England : 2003)","2010","39","3","883","891","10.1039/b916336k","","","0.71073","MoKα","","0.1033","0.069","","","0.1236","0.1347","","","","","","1.199","","","","has coordinates","179948","2020-10-21","18:00:00",""
"7028964","24.4639","0.0002","24.4639","0.0002","16.2815","0.0002","90","","90","","90","","9744.19","0.16","100","2","100","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C47 H58 Cl4 N6 O4 Ru2 -","- C47.04 H58.056 Cl4 N6 O4 Ru2 -","- C376.32 H464.448 Cl32 N48 O32 Ru16 -","8","0.5","","Delgado-Rebollo, Manuela; Canseco-Gonzalez, Daniel; Hollering, Manuela; Mueller-Bunz, Helge; Albrecht, Martin","Synthesis and catalytic alcohol oxidation and ketone transfer hydrogenation activity of donor-functionalized mesoionic triazolylidene ruthenium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4462","4473","10.1039/c3dt53052c","","","0.71073","MoKα","","0.0357","0.0331","","","0.0686","0.0696","","","","","","1.209","","","","has coordinates,has disorder","179995","2020-10-21","18:00:00",""
"7038846","8.1511","0.0012","8.1511","0.0012","19.57","0.004","90","","90","","90","","1300.2","0.4","293","2","293","2","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- K2 Se6 Sn2 Zn -","- K2 Se6 Sn2 Zn -","- K8 Se24 Sn8 Zn4 -","4","0.25","","Zhou, Molin; Li, Chao; Li, Xiaoshuang; Yao, Jiyong; Wu, Yicheng","K2Sn2ZnSe6, Na2Ge2ZnSe6, and Na2In2GeSe6: a new series of quaternary selenides with intriguing structural diversity and nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7627","7633","10.1039/c6dt00143b","","","0.71073","MoKα","","0.0463","0.0451","","","0.0743","0.0767","","","","","","1.899","","","","has coordinates","182674","2020-10-21","18:00:00",""
"7051132","15.798","0.005","15.798","0.005","15.674","0.007","90","","90","","90","","3912","2","295","","295","","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C27 H24 Co N6 O S2 -","- C25 H20 Co0.25 N5 S -","- C100 H80 Co N20 S4 -","4","0.25","","De Munno, Giovanni; Francesca Cipriani; Donatella Armentano; Miguel Julve; Jose Antonio Real","Polycatenane systems from Co(II) and trans-1,2-bis(4-pyridyl)ethene [bpe]. Synthesis and structure of [Co(bpe)2(NCS)2].CH3OH, [Co(bpe)2(H2O)2](ClO4)2.2CH3OH and [Co(bpe)2(H2O)2(CH3OH)2](ClO4)2.bpe.H2O","New Journal of Chemistry","2001","","","","","","","","","","","","8.48","","","13.17","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051240","22.0361","0.0001","22.0361","0.0001","17.0005","0.0002","90","","90","","90","","8255.27","0.11","293","2","293","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C85.5 H126.5 Cl N4.5 O12 -","- C85.526 H124 Cl0.948 N4.526 O12 -","- C342.104 H496 Cl3.792 N18.104 O48 -","4","0.25","","Schmidt, Christian; Paulus, Erich F.; Böhmer, Volker; Vogt, Walter","Selective derivatisation of resorcarenes. Part 5. Acylation of tetrabenzoxazine derivatives","New Journal of Chemistry","2000","24","3","123","","10.1039/a907622k","","","0.71073","MoKα","","0.0931","0.0787","","","0.2197","0.2349","","","","","","1.049","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7051713","14.751","0.002","14.751","0.002","17.063","0.003","90","","90","","90","","3712.8","1","150","2","150","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C37 H28 Fe Mn2 N10 O6 -","- C37 H28 Fe Mn2 N10 O6 -","- C148 H112 Fe4 Mn8 N40 O24 -","4","0.25","","Ababei, Rodica; Li, Yang-Guang; Roubeau, Olivier; Kalisz, Marguerite; Bréfuel, Nicolas; Coulon, Claude; Harté, Etienne; Liu, Xueting; Mathonière, Corine; Clérac, Rodolphe","Bimetallic cyanido-bridged magnetic materials derived from manganese(iii) Schiff-base complexes and pentacyanidonitrosylferrate(ii) precursor","New Journal of Chemistry","2009","33","6","1237","","10.1039/b903399h","","","0.71073","MoKα","","0.0564","0.0496","","","0.1318","0.139","","","","","","0.948","","","","has coordinates,has disorder","180071","2020-10-21","18:00:00",""
"7053570","16.1598","0.0004","16.1598","0.0004","19.3303","0.0011","90","","90","","90","","5047.9","0.3","223","2","223","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C28 H18 N2 O4 Zn -","- C28 H18 N2 O4 Zn -","- C224 H144 N16 O32 Zn8 -","8","0.5","","Kole, Goutam Kumar; Cairns, Amy J.; Eddaoudi, Mohamed; Vittal, Jagadese J.","Solvent-free porous framework resulted from 3D entanglement of 1D zigzag coordination polymer","New Journal of Chemistry","2010","34","11","2392","","10.1039/c0nj00217h","","","0.71073","MoKα","","0.1201","0.0784","","","0.2385","0.2733","","","","","","1.047","","","","has coordinates","180089","2020-10-21","18:00:00",""
"7054620","13.4761","0.0019","13.4761","0.0019","27.254","0.005","90","","90","","90","","4949.5","1.3","153","2","153","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C10 H13 N4 O3 Zn -","- C6 H4 N3 O2 Zn -","- C96 H64 N48 O32 Zn16 -","16","1","","Zhu, Yu; Wang, Yan-Mei; Liu, Pan; Wu, Yun-Long; Wei, Wei; Xia, Chang-Kun; Xie, Ji-Min","Cage-like pores of a metal‒organic framework for separations and encapsulation of Pd nanoparticles for efficient catalysis","New J. Chem.","2015","39","4","2669","","10.1039/C4NJ01985G","","","0.71073","MoKα","","0.0607","0.052","","","0.1573","0.1644","","","","","","1.089","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7101665","16.0428","0.0008","16.0428","0.0008","20.4985","0.0008","90","","90","","90","","5275.7","0.4","293","2","293","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C30 H24 N2 O5 S Zn -","- C30 H18 N2 O5 S Zn -","- C240 H144 N16 O40 S8 Zn8 -","8","0.5","","Cheng, Ai-Ling; Liu, Na; Yue, Yan-Feng; Jiang, Yong-Wen; Gao, En-Qing; Yan, Chun-Hua; He, Ming-Yuan","Unprecedented 3D entanglement of 1D zigzag coordination polymers leading to a robust microporous framework.","Chemical communications (Cambridge, England)","2007","","4","407","409","10.1039/b613295b","","","0.71073","MoKα","","0.1515","0.0514","","","0.1182","0.1482","","","","","","0.962","","","","has coordinates","180118","2020-10-21","18:00:00",""
"7106230","18.9","0.003","18.9","0.003","33.561","0.007","90","","90","","90","","11988","4","120","2","120","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C91 H130 Cu4 N10 O40 -","- C57 H28 Cu4 O20 -","- C228 H112 Cu16 O80 -","4","0.25","","Chenrong Tan; Sihai Yang; Neil R. Champness; Xiang Lin; Alexander Blake; William Lewis; Martin Schroder","High capacity gas storage by a 4,8-connected metal - organic polyhedral framework","Chem.Commun.","2011","47","","4487","","10.1039/c1cc10378d","","","0.6889","synchrotron","","0.113","0.0463","","","0.068","0.0773","","","","","","1","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7107952","17.1131","0.0002","17.1131","0.0002","18.5626","0.0003","90","","90","","90","","5436.21","0.13","100","2","100","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C22 H32 Cl2 Mg2 N2 O3 -","- C22 H32 Cl2 Mg2 N2 O3 -","- C176 H256 Cl16 Mg16 N16 O24 -","8","0.5","","Chengzhong Cui; Roger A. Lalancette; Frieder Jakle","The elusive tripodal tris(2-pyridyl)borate ligand: a strongly coordinating tetraarylborate","Chem.Commun.","2012","48","","6930","","10.1039/c2cc33059h","","","1.54178","CuKα","","0.045","0.043","","","0.12","0.122","","","","","","1.1","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7111733","16.568","0.0002","16.568","0.0002","26.0484","0.0004","90","","90","","90","","7150.25","0.16","150","2","150","2","","","","","","","synthesis as described","3","P 4/n c c :2","-P 4a 2ac","130","","","","- C74 H72 O8 -","- C74 H72 O8 -","- C296 H288 O32 -","4","0.25","","Farrugia, Louis J.; Gall, James H.; MacNicol, David D.; MacSween, Ross","The first members of the octasubstituted naphthalene spider-host series with type I (abababab) conformation: gateway to new nano-host gas storage materials","Chemical Communications","2010","46","29","5241","5243","10.1039/c0cc00655f","","x-ray","0.71073","MoKα","","0.0934","0.0789","","","0.2507","0.2709","","","","","","1.124","","","","has coordinates","180231","2020-10-21","18:00:00",""
"7114028","17.2721","0.0008","17.2721","0.0008","21.0475","0.0014","90","","90","","90","","6279","0.6","153","2","153","2","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C33 H48 Eu F15 K2 N8 O27 S5 -","- C33 H48 Eu F15 K2 N8 O27 S4.98 -","- C132 H192 Eu4 F60 K8 N32 O108 S19.92 -","4","0.25","","Gunnlaugsson, Thorfinnur; Davies, R. Jeremy H.; Nieuwenhuyzen, Mark; Stevenson, Clarke S.; Viguier, Romain; Mulready, Sinead","Rapid hydrolytic cleavage of the mRNA model compound HPNP by glycine based macrocyclic lanthanide ribonuclease mimicsElectronic supplementary information (EI) available: full experimental details, Fig. S1???S6. See http://www.rsc.org./suppdata/cc/b2/b205349g/","Chemical Communications","2002","","18","2136","","10.1039/b205349g","","","0.71073","MoKα","","0.0731","0.0479","","","0.1227","0.1366","","","","","","1.041","","","","has coordinates,has disorder","180254","2020-10-21","18:00:00",""
"7114437","23.307","0.009","23.307","0.009","12.233","0.005","90","","90","","90","","6645","5","298","","298","","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C32 H68 N4 Na8 O50 S V4 -","- C32 H28 N4 Na8 O50 S V4 -","- C128 H112 N16 Na32 O200 S4 V16 -","4","0.25","","Drouza, Chryssoula; Tolis, Vagelis; Gramlich, Volker; Raptopoulou, Cathrine; Terzis, Aris; Sigalas, Michael P.; Kabanos, Themistoklis A.; Keramidas, Anastasios D.","p-Hydroquinone???metal compounds: synthesis and crystal structure of two novel VV???p-hydroquinonate and VIV???p-semiquinonate speciesElectronic supplementary information (ESI) available: Fig. S1: four highest singly occupied molecular orbits (SOMOs) of 1. See http://www.rsc.org/suppdata/cc/b2/b207330g/","Chemical Communications","2002","","23","2786","","10.1039/b207330g","","","0.71073","MoKα","","0.0844","0.0605","","0.1792","0.1533","","","","1.087","1.088","1.088","","","","","has coordinates,has disorder","180258","2020-10-21","18:00:00",""
"7114975","17.785","0.008","17.785","0.008","27.313","0.003","90","","90","","90","","8639","6","293","2","293","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C60 H96 N8 Ni9 O45 -","- C60 H56 N8 Ni9 O45 -","- C240 H224 N32 Ni36 O180 -","4","0.25","","Papaefstathiou, Giannis S.; Escuer, Albert; Vicente, Ramon; Font-Bardia, Merce; Solans, Xavier; Perlepes, Spyros P.","Reactivity in polynuclear transition metal chemistry as a means to obtain high-spin molecules: substitution of µ4-OH‒ by η1,µ4-N3‒ increases nine times the ground-state S value of a nonanuclear nickel(ii) cage","Chemical Communications","2001","","23","2414","","10.1039/b106472j","","","0.71069","MoKα","","0.1146","0.063","","","0.1703","0.1821","","","","","","0.892","","","","has coordinates","180263","2020-10-21","18:00:00",""
"7116265","21.6686","0.0008","21.6686","0.0008","15.3857","0.0007","90","","90","","90","","7224","0.5","100","2","100","2","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","PgC1, bpy, MeCN","C-methylpyrogallol[4]arene, 4,4'-bipyridine, Acetonitrile","","- C79 H64 N10 O12 -","- C79 H64 N10 O12 -","- C316 H256 N40 O48 -","4","0.25","","Patil, Rahul S.; Kumari, Harshita; Barnes, Charles L.; Atwood, Jerry L.","Engineering supramolecular organic frameworks (SOFs) of C-alkylpyrogallol[4]arene with bipyridine-based spacers.","Chemical communications (Cambridge, England)","2015","51","12","2304","2307","10.1039/c4cc08388a","","","1.54178","CuKα","","0.0785","0.0727","","","0.218","0.2274","","","","","","1.111","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7123329","21.4048","0.0003","21.4048","0.0002","21.3901","0.0002","90","","90","","90","","9800.21","0.19","30","","30","","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","(bis)tetra(n-butyl)ammonium manganese(II) (tris)dicyanoaurate perchlorate","","- C38 H72 Au3 Cl Mn N8 O4 -","- C38 H72 Au3 Cl0.99975 Mn N8 O3.9984 -","- C304 H576 Au24 Cl7.998 Mn8 N64 O31.9872 -","8","0.5","","Hill, Joshua A.; Murray, Claire A.; Tang, Chiu C.; Thygesen, Peter M. M.; Thompson, Amber L.; Goodwin, Andrew L.","Inorganic co-crystal formation and thermal disproportionation in a dicyanometallate ‘superperovskite’","Chemical Communications","2019","","","","","10.1039/C8CC10277E","","","0.6889","Synchrotron","","0.1799","0.1286","","0.2779","0.1923","0.1662","","","","","","1.0653","","","","has coordinates,has disorder","214768","2020-10-21","18:00:00",""
"7125878","26.6947","0.0001","26.6947","0.0001","50.0946","0.0003","90","","90","","90","","35697.8","0.3","100","","100","","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","chiral Ag18S","Ag18(μ8-S)(p-TBBT)16(PPh3)8","","- C349.68 H478.7 Ag18 O29.68 P8 S17 -","- C320 H360 Ag18 P8 S17 -","- C1280 H1440 Ag72 P32 S68 -","4","0.25","","Tian, Fan; Chen, Rong","Ag<sub>18</sub>(μ<sub>8</sub>-S)(p-TBBT)<sub>16</sub>(PPh<sub>3</sub>)<sub>8</sub>: symmetry breaking induced by the core to generate chirality.","Chemical communications (Cambridge, England)","2020","56","18","2719","2722","10.1039/c9cc10045h","","","1.54184","CuKα","","0.0623","0.0552","","","0.1533","0.1599","","","","","","1.044","","","","has coordinates,has disorder","248848","2020-10-21","18:00:00",""
"7200363","26.988","0.003","26.988","0.003","29.158","0.005","90","","90","","90","","21237","5","173","2","173","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C120 H132 Mn8 N24 O28 -","- C120 H56 Mn8 N24 O28 -","- C480 H224 Mn32 N96 O112 -","4","0.25","","Moon, Dohyun; Song, Jiheh; Lah, Myoung Soo","2D Layered metal‒organic frameworks built using a hexanuclear metallamacrocycle and an octanuclear metallamacrocycle as supramolecular building blocks","CrystEngComm","2009","11","5","770","","10.1039/b813603c","","","0.71073","MoKα","","0.1522","0.0837","","","0.2243","0.2523","","","","","","0.883","","","","has coordinates,has disorder","180334","2020-10-21","18:00:00",""
"7200364","26.804","0.004","26.804","0.004","29.874","0.006","90","","90","","90","","21463","6","100","2","100","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C120 H132 Mn8 N24 O28 -","- C120 H32 Mn8 N24 O28 -","- C480 H128 Mn32 N96 O112 -","4","0.25","","Moon, Dohyun; Song, Jiheh; Lah, Myoung Soo","2D Layered metal‒organic frameworks built using a hexanuclear metallamacrocycle and an octanuclear metallamacrocycle as supramolecular building blocks","CrystEngComm","2009","11","5","770","","10.1039/b813603c","","","0.9","synchrotron","","0.1304","0.1264","","","0.421","0.4309","","","","","","2.086","","","","has coordinates,has disorder","180334","2020-10-21","18:00:00",""
"7200991","16.4267","0.0004","16.4267","0.0004","16.135","0.0007","90","","90","","90","","4353.8","0.2","173","2","173","2","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","","","","- C46 H60 O10 -","- C46 H60 O10 -","- C184 H240 O40 -","4","0.25","","Salorinne, Kirsi; Nissinen, Maija","Twisting of the resorcinarene core due to solvent effects upon crystallization","CrystEngComm","2009","11","8","1572","","10.1039/b902718a","","","1.54178","CuKα","","0.0831","0.0758","","","0.2184","0.2285","","","","","","1.126","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7201013","13.6544","0.0003","13.6544","0.0003","30.8734","0.0013","90","","90","","90","","5756.1","0.3","186","2","186","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","(Eu(H2O)8(C4H12N))(C28H20O16S4) (H2O)16","","","- C32 H80 Eu N O40 S4 -","- C32 H80 Eu N O40 S4 -","- C128 H320 Eu4 N4 O160 S16 -","4","0.25","","Bi, Yanfeng; Liao, Wuping; Zhang, Hongjie; Li, Deqian","Assembly of ‘discrete’ (H2O)16 water clusters within a supramolecular compound of calixarene","CrystEngComm","2009","11","7","1213","","10.1039/b903020d","","","0.71073","MoKα","","0.0365","0.0355","","","0.0755","0.0765","","","","","","1.286","","","","has coordinates","201370","2020-10-21","18:00:00",""
"7203270","19.257","0.001","19.257","","27.718","0.002","90","","90","","90","","10278.7","0.9","153","2","153","2","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","","","","- C176 H50 O5 -","- C176 H48 O5 -","- C704 H192 O20 -","4","0.25","","Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.; Barbour, Leonard J.; Turner, Peter","Endo- versus?exo-cavity interplay of p-benzylcalix[4]arene with spheroidal molecules","CrystEngComm","2006","8","4","306","","10.1039/b600550k","","","0.55","synchrotron","","0.1367","0.1293","","","0.3701","0.3816","","","","","","0.967","","","","has coordinates,has disorder","180363","2020-10-21","18:00:00",""
"7205526","17.7892","0.0003","17.7892","0.0003","15.0473","0.0003","90","","90","","90","","4761.8","0.15","173","2","173","2","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C46 H46 F6 N4 O3 S2 Si Zn -","- C46 H46 F6 N4 O3 S2 Si Zn -","- C184 H184 F24 N16 O12 S8 Si4 Zn4 -","4","0.25","","Lin, Mei-Jin; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: control of interpenetration in cuboid 3-D coordination networks","CrystEngComm","2011","13","3","776","","10.1039/c0ce00777c","","","0.71073","MoKα","","0.0776","0.0663","","","0.1993","0.2118","","","","","","1.064","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205527","19.9188","0.0003","19.9188","0.0003","15.2892","0.0006","90","","90","","90","","6066.1","0.3","173","2","173","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C52 H40 Cl16 F6 N4 Si Zn -","- C52 H40 Cl16 F6 N4 Si Zn -","- C208 H160 Cl64 F24 N16 Si4 Zn4 -","4","0.25","","Lin, Mei-Jin; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: control of interpenetration in cuboid 3-D coordination networks","CrystEngComm","2011","13","3","776","","10.1039/c0ce00777c","","","0.71073","MoKα","","0.0862","0.0537","","","0.137","0.17","","","","","","1.065","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7206061","13.5377","0.0002","13.5377","0.0002","18.3726","0.0005","90","","90","","90","","3367.13","0.12","150","2","150","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C24 H36 Cu F6 N4 O10 Si -","- C24 H20 Cu F6 N4 O10 Si -","- C96 H80 Cu4 F24 N16 O40 Si4 -","4","0.25","","Wang, Sujuan; Li, Lei; Zhang, Jianyong; Yuan, Xiaochen; Su, Cheng-Yong","Anion-tuned sorption and catalytic properties of a soft metal‒organic solid with polycatenated frameworks","Journal of Materials Chemistry","2011","21","20","7098","","10.1039/c1jm10394f","","","1.54178","CuKα","","0.1167","0.0989","","","0.2311","0.2419","","","","","","1.012","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206166","15.028","0.002","15.028","0.002","21.962","0.004","90","","90","","90","","4959.9","1.3","293","2","293","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C52 H44 Cl N8 O5.25 Ru2 -","- C52 H44 Cl N8 O4.92 Ru2 -","- C208 H176 Cl4 N32 O19.68 Ru8 -","4","0.25","","Herrero, Santiago; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L.; Saguar, Susana; Urbanos, Francisco A.","Microwave methods for the synthesis of paddlewheel diruthenium compounds with N,N-donor ligands","Green Chemistry","2011","13","7","1885","","10.1039/c0gc00800a","","","0.71073","MoKα","","0.1307","0.0471","","","0.1055","0.1679","","","","","","1.089","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7211861","20.321","0.002","20.321","","13.699","0.001","90","","90","","90","","5656.9","0.7","293","2","293","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C17 H11 Cl Cu6 N12 O6 -","- C17 H11 Cl Cu6 N12 O6 -","- C136 H88 Cl8 Cu48 N96 O48 -","8","0.5","","Zhang, Zhi-Ling; Shen, Gui-Lan; Cheng, Ying; Ding, You-Bang; Yin, Ye-Gao; Li, Dan","Isomorphic polysupramolecules assembled from mixed valent Cu-triazolate sheets, benzene-1,3,5-tricarboxylates and halides","CrystEngComm","2010","12","4","1171","","10.1039/b915850b","","","0.71073","MoKα","","0.1112","0.06","","","0.1533","0.1954","","","","","","1.096","","","","has coordinates,has disorder","180449","2020-10-21","18:00:00",""
"7214537","16.085","0.0007","16.085","0.0007","20.6375","0.0012","90","","90","","90","","5339.5","0.5","298","2","298","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C48 H22 Cl2 Cu F20 N8 O13 -","- C48 H20 Cl2 Cu F20 N8 O13 -","- C192 H80 Cl8 Cu4 F80 N32 O52 -","4","0.25","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.0791","0.0678","","","0.2069","0.2269","","","","","","1.028","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214712","16.1842","0.0004","16.1842","","31.2772","0.0007","90","","90","","90","","8192.4","0.3","100","2","100","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C41 H115 N4 Na9 O56 P4 -","- C41 H115 N4 Na9 O56 P4 -","- C164 H460 N16 Na36 O224 P16 -","4","0.25","","Ling, Irene; Iyer, K. Swaminathan; Bond, Charles S.; Sobolev, Alexandre N.; Alias, Yatimah; Raston, Colin L.","Sodium ion association via bridging water molecules for different charged p-phosphonated calix[4]arene bilayers","CrystEngComm","2012","14","24","8541","","10.1039/c2ce26207j","","","0.71073","MoKα","","0.1222","0.0475","","","0.0966","0.104","","","","","","1.005","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7218418","17.0166","0.0004","17.0166","0.0004","18.7995","0.0008","90","","90","","90","","5443.7","0.3","293","2","293","2","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- C44 H68 Co4 O22 -","- C44 H68 Co4 O22 -","- C176 H272 Co16 O88 -","4","0.25","","zhang, shu hua; Zhao, Ru-Xiao; li, gui; ZHANG, hai yang; Zhang, Chun Lian; Muller, Gilles","Structural Variation from Heterometallic Heptanuclear, Heptanuclear to Cubane Clusters Based on 2-hydroxy-3-ethoxy-benzaldehyde: Effects of pH and Temperature","RSC Adv.","2014","","","","","10.1039/C4RA09687H","","","0.71073","MoKα","","0.0714","0.0543","","","0.1788","0.2013","","","","","","0.998","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219002","13.4537","0.0009","13.4537","0.0009","27.329","0.004","90","","90","","90","","4946.6","0.9","296","2","296","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C6 H4.36 N3.36 O3 Zn -","- C6 H4.361 N3.361 O3 Zn -","- C96 H69.776 N53.776 O48 Zn16 -","16","1","","Yun, Ruirui; Cui, Ranran; Qian, Fujun; Cao, Xiaoyan; luo, shizhong; Zheng, Baishu","Formation of a Metal-Organic Framework with High Gases Uptakes Based upon Amino-Decorated Polyhedral Cages","RSC Adv.","2014","","","","","10.1039/C4RA14607G","","","0.71073","MoKα","","0.0532","0.042","","","0.1469","0.1528","","","","","","1.088","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219225","20.5004","0.0007","20.5004","0.0007","13.9201","0.0006","90","","90","","90","","5850.2","0.4","293","2","293","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C12 H7 F2 N2 Ni O4.5 -","- C12 H7 F2 N2 Ni O4.5 -","- C192 H112 F32 N32 Ni16 O72 -","16","1","","Cui, Yanhui; Wu, Jiang; Kirillov, Alexander M.; Gu, Jinzhong; dou, wei","Exploring 5-fluoronicotinic acid as a versatile building block for the generation of topologically diverse metal-organic and supramolecular Ni, Co, and Cd networks","RSC Adv.","2015","","","","","10.1039/C4RA14534H","","","0.71073","MoKα","","0.0444","0.0352","","","0.0891","0.0955","","","","","","1.041","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7220377","14.5312","0.0002","14.5312","0.0002","18.095","0.0006","90","","90","","90","","3820.86","0.15","150.01","0.1","150.01","0.1","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C39 H32 Fe Mn2 N10 O5 -","- C39 H32 Fe Mn2 N10 O5 -","- C156 H128 Fe4 Mn8 N40 O20 -","4","0.25","","Kopotkov, Vyacheslav A.; Sasnovskaya, Valentina D.; Korchagin, Denis V.; Morgunov, Roman B.; Aldoshin, Sergey M.; Simonov, Sergey V.; Zorina, Leokadiya V.; Schaniel, Dominik; Woike, Theo; Yagubskii, Eduard B.","The first photochromic bimetallic assemblies based on Mn(iii) and Mn(ii) Schiff-base (salpn, dapsc) complexes and pentacyanonitrosylferrate","CrystEngComm","2015","17","20","3866","","10.1039/C5CE00354G","","","0.7107","MoKα","","0.0375","0.0307","","","0.0776","0.0824","","","","","","1.085","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7228067","11.7352","0.0002","11.7352","0.0002","25.3812","0.0013","90","","90","","90","","3495.4","0.2","150","","150","","","","","","","","synthesized","4","P 4/n c c :2","-P 4a 2ac","130","","","","- C29 H32 Cl4 N8 -","- C29 H32 Cl4 N8 -","- C116 H128 Cl16 N32 -","4","0.25","","Morshedi, Mahbod; White, Nicholas G.","Mixed halide/oxoanion-templated frameworks","CrystEngComm","2017","19","17","2367","","10.1039/C7CE00265C","","","1.54184","CuKα","","0.1458","0.144","","0.2419","0.2413","0.2419","","","","","","1.0381","","","","has coordinates","196377","2020-10-21","18:00:00",""
"7233160","20.229","0.005","20.229","0.005","7.688","0.003","90","","90","","90","","3146","1.6","100","2","100","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","2,7-Dibromo-benzo[1,2-b:6,5-b']dithiophene-4,5-bis(ethyleneoxolane)","2,7-Dibromo-benzo[1,2-b:6,5-b']dithiophene-4,5-bis(ethyleneoxolane)","","- C14 H10 Br2 O4 S2 -","- C14 H10 Br2 O4 S2 -","- C112 H80 Br16 O32 S16 -","8","0.5","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.0885","0.0468","","","0.1073","0.1347","","","","","","1.064","","","","has coordinates","217077","2020-10-21","18:00:00",""
"7235757","13.673","0.005","13.673","0.005","22.794","0.005","90","0.005","90","0.005","90","0.005","4261","2","293","2","293","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C8 H6 N6 O4 Zn2 -","- C8 H6 N6 O4 Zn2 -","- C64 H48 N48 O32 Zn16 -","8","0.5","","Hu, Xiao-Li; Liu, Fu-Hong; Wang, Hai-Ning; Qin, Chao; Sun, Chun-Yi; Su, Zhong-Min; Liu, Fu-Chen","Controllable synthesis of isoreticular pillared-layer MOFs: gas adsorption, iodine sorption and sensing small molecules","J. Mater. Chem. A","2014","2","36","14827","","10.1039/C4TA01749H","","","0.71073","MoKα","","0.0429","0.0322","","","0.0916","0.0954","","","","","","1.027","","","","has coordinates","233299","2020-10-21","18:00:00",""
"7235758","13.53","0.005","13.53","0.005","27.172","0.005","90","","90","","90","","4974","3","293","2","293","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C12 H8 N7 O4 Zn2 -","- C12 H8 N7 O4 Zn2 -","- C96 H64 N56 O32 Zn16 -","8","0.5","","Hu, Xiao-Li; Liu, Fu-Hong; Wang, Hai-Ning; Qin, Chao; Sun, Chun-Yi; Su, Zhong-Min; Liu, Fu-Chen","Controllable synthesis of isoreticular pillared-layer MOFs: gas adsorption, iodine sorption and sensing small molecules","J. Mater. Chem. A","2014","2","36","14827","","10.1039/C4TA01749H","","","0.71073","MoKα","","0.0506","0.0414","","","0.1524","0.1583","","","","","","1.087","","","","has coordinates,has disorder","233299","2020-10-21","18:00:00",""
"7236465","29.952","0.0002","29.952","0.0002","19.5265","0.0004","90","","90","","90","","17517.7","0.4","200","2","200","2","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- C59 H43 N5 O2 -","- C59 H43 N5 O2 -","- C944 H688 N80 O32 -","16","1","","Huang, Jau-Jiun; Yun, Lik-Ka; Kung, Te-Jen; Chen, Chi-Lin; Lee, Jiun-Haw; Wu, Yuh-Renn; Chiu, Tien-Lung; Chou, Pi-Tai; Leung, Man-kit","Networking hole and electron hopping paths by Y-shaped host molecules: promoting blue phosphorescent organic light emitting diodes","Journal of Materials Chemistry C","2017","5","14","3600","","10.1039/C6TC05538A","","","1.54178","CuKα","","0.0944","0.062","","","0.1563","0.1815","","","","","","1.035","","","","has coordinates","235558","2020-10-21","18:00:00",""
"7239484","15.3887","0.0016","15.3887","0.0016","17.563","0.003","90","","90","","90","","4159.1","0.9","173","2","173","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C42 H53 N3 O2 S4 -","- C42 H44 N3 O2 S4 -","- C168 H176 N12 O8 S16 -","4","0.25","","Katagiri, Hiroshi; Tanaka, Shinya; Ohkubo, Kazuya; Akahira, Yuki; Morohashi, Naoya; Iki, Nobukiho; Hattori, Tetsutaro; Miyano, Sotaro","Regioselective synthesis of 1,2- and 1,3-diaminothiacalix[4]arenes via nucleophilic aromatic substitution and their X-ray structures","RSC Advances","2014","4","19","9608","","10.1039/c3ra47718e","","","0.71073","MoKα","","0.1247","0.0769","","","0.2036","0.2528","","","","","","1.102","","","","has coordinates,has disorder","244729","2020-10-21","18:00:00",""
"7245438","16.1144","0.0006","16.1144","0.0006","16.2242","0.001","90","","90","","90","","4213","0.3","293","2","293","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C27 H32 Cu F6 N9 O5.5 Si -","- C27 H24 Cu F6 N9 O5.5 Si -","- C108 H96 Cu4 F24 N36 O22 Si4 -","4","0.25","","Croitor, Lilia; Coropceanu, Eduard B.; Fonari, Marina S.","Anion–pyridine-n-oxime interplay to control metal–metal separations in a series of Cu(ii) coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01000C","","","0.71073","MoKα","","0.1195","0.0636","","","0.1591","0.1875","","","","","","1.037","","","","has coordinates,has disorder","277614","2022-09-03","22:34:58",""
"7247273","13.3634","0.0004","13.3634","0.0004","30.7634","0.0009","90","","90","","90","","5493.7","0.3","299","2","299","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C17 H21 N7 O7 S2 Zn2 -","- C14 H10 N6 O4 S2 Zn2 -","- C112 H80 N48 O32 S16 Zn16 -","8","0.5","","Liang, Yu-Jie; Liu, Liu; Yao, Jun; Deng, Min; Xu, Quan-Qing; Zhu, Ai-Xin; Huang, Bo","Two flexible zinc–triazole–dicarboxylate frameworks: breathing behaviors for CO2 uptake and dye adsorption properties","CrystEngComm","2023","25","36","5174","5183","10.1039/D3CE00787A","","","1.54178","CuKα","","0.0412","0.0399","","","0.121","0.1221","","","","","","1.081","","","","has coordinates,has disorder","286730","2023-10-06","00:04:24",""
"7248354","13.4513","0.0006","13.4513","0.0006","16.2016","0.0013","90","","90","","90","","2931.5","0.3","100","","100","","","","","","","","see text","6","P 4/n c c :2","-P 4a 2ac","130","","PdL15","","- C20 H24 F12 N8 P2 Pd -","- C20 H24 F12 N8 P2 Pd -","- C80 H96 F48 N32 P8 Pd4 -","4","0.25","","Büchele, Wolfgang R. E.; Schlachta, Tim P.; Gebendorfer, Andreas L.; Pamperin, Jenny; Richter, Leon F.; Sauer, Michael J.; Prokop, Aram; Kühn, Fritz E.","Synthesis, characterization, and biomedical evaluation of ethylene-bridged tetra-NHC Pd(ii), Pt(ii) and Au(iii) complexes, with apoptosis-inducing properties in cisplatin-resistant neuroblastoma cells","RSC Advances","2024","14","15","10244","10254","10.1039/D4RA01195C","","x-ray","0.71073","MoKα","","0.0342","0.0238","","","0.0524","0.0565","","","","","","1.074","","","","has coordinates","290694","2024-03-28","02:27:11",""
"7701504","31.01","0.0017","31.01","0.0017","36.8077","0.0019","90","","90","","90","","35395","3","120","2","120","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C816.48 H1866.24 In112 N116.64 Se226.32 -","- In112 Se226.256 -","- In112 Se226.256 -","1","0.0625","","Xue, Chaozhuang; Zhang, Li; Wang, Xiaoli; Wang, Xiang; Zhang, Jiaxu; Wu, Tao","Highly open chalcogenide frameworks built from unusual defective supertetrahedral clusters.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10799","10803","10.1039/c9dt01754b","","","0.71073","MoKα","","0.1083","0.066","","","0.1835","0.2165","","","","","","1.028","","","","has coordinates,has disorder","223291","2020-10-21","18:00:00",""
"7704597","23.9804","0.0009","23.9804","0.0009","25.2619","0.0014","90","","90","","90","","14527.1","1.1","293","2","293","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C37 H23 F10.5 N5.25 P1.25 Ru -","- C37 H23 F10.5 N5.25 P1.25 Ru -","- C592 H368 F168 N84 P20 Ru16 -","16","1","","Wen, Ya; Ouyang, Cheng; Li, Quanwen; Rees, Thomas W.; Qiu, Kangqiang; Ji, Liangnian; Chao, Hui","Synthesis, characterization and anticancer mechanism studies of fluorinated cyclometalated ruthenium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7044","7052","10.1039/d0dt01412e","","","0.71073","MoKα","","0.1083","0.0835","","","0.2108","0.2343","","","","","","1.084","","","","has coordinates","252647","2020-10-21","18:00:00",""
"7704598","24.0261","0.0004","24.0261","0.0004","25.2884","0.0007","90","","90","","90","","14597.8","0.5","293","2","293","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C37 H24 F9.5 N5.25 P1.25 Ru -","- C37 H24 F9.5 N5.25 P1.25 Ru -","- C592 H384 F152 N84 P20 Ru16 -","16","1","","Wen, Ya; Ouyang, Cheng; Li, Quanwen; Rees, Thomas W.; Qiu, Kangqiang; Ji, Liangnian; Chao, Hui","Synthesis, characterization and anticancer mechanism studies of fluorinated cyclometalated ruthenium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7044","7052","10.1039/d0dt01412e","","","0.71073","MoKα","","0.0849","0.0577","","","0.1454","0.1639","","","","","","1.027","","","","has coordinates","252647","2020-10-21","18:00:00",""
"7704666","21.757","0.003","21.757","0.003","62.923","0.013","90","","90","","90","","29786","8","80","2","80","2","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C272 H227 B3 Cl2 F12 N25 O8 Pd4 -","- C272 H227 B3 Cl2 F12 N25 O8 Pd4 -","- C1088 H908 B12 Cl8 F48 N100 O32 Pd16 -","4","0.25","","Pullen, Sonja; Löffler, Susanne; Platzek, André; Holstein, Julian J.; Clever, Guido H.","Substrate and product binding inside a stimuli-responsive coordination cage acting as a singlet oxygen photosensitizer.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9404","9410","10.1039/d0dt01674h","","","0.5636","synchrotron","","0.1824","0.1608","","","0.557","0.5754","","","","","","2.566","","","","has coordinates,has disorder","254979","2020-10-21","18:00:00",""
"7704667","21.837","0.002","21.837","0.002","62.93","0.006","90","","90","","90","","30008","5","100","2","100","2","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C270 H224 B3 Cl2.5 F12 N24 O10 Pd4 -","- C270 H224 B3 Cl2.5 F12 N24 O10 Pd4 -","- C1080 H896 B12 Cl10 F48 N96 O40 Pd16 -","4","0.25","","Pullen, Sonja; Löffler, Susanne; Platzek, André; Holstein, Julian J.; Clever, Guido H.","Substrate and product binding inside a stimuli-responsive coordination cage acting as a singlet oxygen photosensitizer.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9404","9410","10.1039/d0dt01674h","","","1.54178","CuKα","","0.2156","0.1677","","","0.5024","0.5366","","","","","","2.135","","","","has coordinates,has disorder","254979","2020-10-21","18:00:00",""
"8101061","9.0953","0.0003","9.0953","0.0003","11.0291","0.0006","90","","90","","90","","912.3","0.1","293","2","293","2","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- C2 H K5 N4 -","- C2 H K5 N4 -","- C8 H4 K20 N16 -","4","0.25","","Niewa, Rainer; Höhn, Peter; Kniep, Rüdiger; Weiske, Annette; Jacobs, Herbert","Crystal structure of pentapotassium dicarbodiimide monohydride, K~5~[CN~2~]~2~H","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","335","336","10.1524/ncrs.2001.216.14.357","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101452","8.519","0.004","8.519","0.004","16.554","0.008","90","","90","","90","","1201","1","298","2","298","2","","","","","","","","2","P 4/n c c :2","-P 4a 2ac","130","","","","- Ba5 Ge3 -","- Ba5 Ge3 -","- Ba20 Ge12 -","4","0.25","","Nesper, Reinhard; Zürcher, Fabio","Crystal structure of pentabarium trigermanide, Ba~5~Ge~3~","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","1","22","22","","","","","","","","0.0446","","","0.0891","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101454","8.465","0.006","8.465","0.006","16.45","0.01","90","","90","","90","","1179","1","298","2","298","2","","","","","","","","2","P 4/n c c :2","-P 4a 2ac","130","","","","- Ba5 Si3 -","- Ba5 Si3 -","- Ba20 Si12 -","4","0.25","","Nesper, Reinhard; Zürcher, Fabio","Refinement of the crystal structure of pentabarium trisilicide, Ba~5~Si~3~","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","1","20","20","","","","","","","","0.0352","","","0.0937","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102932","8.448","0.001","8.448","0.001","10.97","0.002","90","","90","","90","","782.91","0.19","293","2","293","2","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","","pentapraseodymium diboropentacarbide","","- C1.25 B0.5 Pr1.25 -","- C1.25 B0.5 Pr1.25 -","- C20 B8 Pr20 -","16","1","","Babizhetskyy, V.; Mattausch, Hj.; Simon, A.","Crystal structure of pentapraseodymium diboropentacarbide, Pr~5~B~2~C~5~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","1","2","10.1524/ncrs.2006.221.14.1","","","0.71069","MoKα","","0.0358","0.0326","","","0.0619","0.063","","","","","","1.17","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102970","8.0767","0.0001","8.0767","0.0001","12.14011","0.00016","90","","90","","90","","791.937","0.017","295","","","","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","","pentacalcium bis[dinitridocobaltate(I)]","","- Ca5 Co2 N4 -","- Ca5 Co2 N4 -","- Ca20 Co8 N16 -","4","0.25","","Bendyna, Joanna K.; Höhn, Peter; Kniep, Rüdiger","Crystal structure of pentacalcium bis(dinitridocobaltate(I)), Ca~5~ [CoN~2~]~2~, and a note on ""Ca~3~CoN~3~""","Zeitschrift für Kristallographie - New Crystal Structures","2007","222","3","165","166","","powder diffraction","","","X-ray","","","","","","","","","6.2486","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102971","8.3422","0.0003","8.3422","0.0003","12.2201","0.0008","90","","90","","90","","850.42","0.07","295","2","295","2","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","barium tetracalcium bis[dinitridocobaltate(I)]","barium tetracalcium bis[dinitridocobaltate(I)]","","- Ba0.5 Ca2 Co N2 -","- Ba0.5 Ca2 Co N2 -","- Ba4 Ca16 Co8 N16 -","8","0.5","","Bendyna, Joanna K.; Höhn, Peter; Prots, Yurii; Kniep, Rüdiger","Crystal structure of barium tetracalcium bis(dinitridocobaltate(I)), BaCa~4~[CoN~2~]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2007","222","3","167","168","","","","0.7107","MoKα","","0.0261","0.0257","","","0.0483","0.0484","","","","","","1.398","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8107631","8.673","0.0005","8.673","0.0005","12.443","0.001","90","","90","","90","","935.97","0.11","","","295","","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","pentastrontium bis(dinitridocobaltate(I))","","","- Co2 N4 Sr5 -","- Co2 N4 Sr5 -","- Co8 N16 Sr20 -","4","0.25","","Ovchinnikov, Alexander; Höhn, Peter; Borrmann, Horst; Kazancioğlu, Monika; Kniep, Rüdiger","Crystal structure of pentastrontium bis(dinitridocobaltate(I)), Sr5[CoN2]2, Co2N4Sr5","Zeitschrift für Kristallographie - New Crystal Structures","2015","230","1","3","4","10.1515/ncrs-2014-9131","","x-ray","0.71073","MoKα","","","0.0293","","","0.0684","","","","","","","","","","","has coordinates","286984","2023-10-16","08:48:44",""
"9000878","7.51605","","7.51605","","16.0759","","90","","90","","90","","908.144","","","","","","","","100","","","","Fresno Co, California, USA","4","P 4/n c c :2","-P 4a 2ac","130","","","Gillespite","- Ba Fe O10 Si4 -","- Ba Fe O10 Si4 -","- Ba4 Fe4 O40 Si16 -","4","0.25","","Hazen, R. M.; Finger, L. W.","High-pressure and high-temperature crystallographic study of the gillespite I-II phase transition P = 1 bar","American Mineralogist","1983","68","","595","603","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9000879","7.492","","7.492","","15.943","","90","","90","","90","","894.882","","","","","","","","900000","","","","Fresno Co, California, USA","4","P 4/n c c :2","-P 4a 2ac","130","","","Gillespite","- Ba Fe O10 Si4 -","- Ba Fe O10 Si4 -","- Ba4 Fe4 O40 Si16 -","4","0.25","","Hazen, R. M.; Finger, L. W.","High-pressure and high-temperature crystallographic study of the gillespite I-II phase transition P = 9 kbar","American Mineralogist","1983","68","","595","603","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001855","7.5314","","7.5314","","16.0518","","90","","90","","90","","910.49","","","","","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","Gillespite","- Ba Cr O10 Si4 -","- Ba Cr O10 Si4 -","- Ba4 Cr4 O40 Si16 -","4","0.25","","Miletich, R.; Allan, D. R.; Angel, R. J.","The synthetic Cr2+ silicates BaCrSi4O10 and SrCrSi4O10: The missing links in the gillespite-type ABSi4O10 series BaCrSi4O10","American Mineralogist","1997","82","","697","707","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001856","7.4562","","7.4562","","15.5414","","90","","90","","90","","864.023","","","","","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","Gillespite","- Cr O10 Si4 Sr -","- Cr O10 Si4 Sr -","- Cr4 O40 Si16 Sr4 -","4","0.25","","Miletich, R.; Allan, D. R.; Angel, R. J.","The synthetic Cr2+ silicates BaCrSi4O10 and SrCrSi4O10: The missing links in the gillespite-type ABSi4O10 series SrCrSi4O10","American Mineralogist","1997","82","","697","707","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001857","7.3772","","7.3772","","15.1231","","90","","90","","90","","823.046","","","","","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","Gillespite","- Ca Cr O10 Si4 -","- Ca Cr O10 Si4 -","- Ca4 Cr4 O40 Si16 -","4","0.25","","Miletich, R.; Allan, D. R.; Angel, R. J.","The synthetic Cr2+ silicates BaCrSi4O10 and SrCrSi4O10: The missing links in the gillespite-type ABSi4O10 series CaCrSi4O10","American Mineralogist","1997","82","","697","707","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9004851","6.9616","","6.9616","","17.2677","","90","","90","","90","","836.86","","","","","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","Metanatroautunite","- Na O9 P U -","- Na O9 P U -","- Na4 O36 P4 U4 -","4","0.25","","Locock, A. J.; Burns, P. C.; Duke, M. J. M.; Flynn, T. M.","Monovalent cations in structures of the meta-autunite group Sample: NaUP","The Canadian Mineralogist","2004","42","","973","996","10.2113/gscanmin.42.4.973","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004852","7.1504","","7.1504","","17.325","","90","","90","","90","","885.796","","","","","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- As Na O9 U -","- As Na O9 U -","- As4 Na4 O36 U4 -","4","0.25","","Locock, A. J.; Burns, P. C.; Duke, M. J. M.; Flynn, T. M.","Monovalent cations in structures of the meta-autunite group Sample: NaUAs","The Canadian Mineralogist","2004","42","","973","996","10.2113/gscanmin.42.4.973","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004853","7.1669","","7.1669","","17.867","","90","","90","","90","","917.729","","","","","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- As K0.908 O9.092 U -","- As K0.908 O9.092 U -","- As4 K3.632 O36.368 U4 -","4","0.25","","Locock, A. J.; Burns, P. C.; Duke, M. J. M.; Flynn, T. M.","Monovalent cations in structures of the meta-autunite group Sample: KUAs","The Canadian Mineralogist","2004","42","","973","996","10.2113/gscanmin.42.4.973","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004854","7.0106","","7.0106","","17.9772","","90","","90","","90","","883.553","","","","","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- O9.252 P Rb0.748 U -","- O9.252 P Rb0.748 U -","- O37.008 P4 Rb2.992 U4 -","4","0.25","","Locock, A. J.; Burns, P. C.; Duke, M. J. M.; Flynn, T. M.","Monovalent cations in structures of the meta-autunite group Sample: RbUP","The Canadian Mineralogist","2004","42","","973","996","10.2113/gscanmin.42.4.973","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004856","6.9332","","6.9332","","16.9313","","90","","90","","90","","813.875","","","","","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- Ag0.872 O9.128 P U -","- Ag0.872 O9.128 P U -","- Ag3.488 O36.512 P4 U4 -","4","0.25","","Locock, A. J.; Burns, P. C.; Duke, M. J. M.; Flynn, T. M.","Monovalent cations in structures of the meta-autunite group Sample: AgUP","The Canadian Mineralogist","2004","42","","973","996","10.2113/gscanmin.42.4.973","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004857","7.0901","","7.0901","","17.0453","","90","","90","","90","","856.859","","","","","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- Ag0.932 As O9.068 U -","- Ag0.932 As O9.068 U -","- Ag3.728 As4 O36.272 U4 -","4","0.25","","Locock, A. J.; Burns, P. C.; Duke, M. J. M.; Flynn, T. M.","Monovalent cations in structures of the meta-autunite group Sample: AgUAs","The Canadian Mineralogist","2004","42","","973","996","10.2113/gscanmin.42.4.973","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004858","7.019","","7.019","","17.98","","90","","90","","90","","885.809","","","","","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- O9.02 P Tl0.98 U -","- O9.02 P Tl0.98 U -","- O36.08 P4 Tl3.92 U4 -","4","0.25","","Locock, A. J.; Burns, P. C.; Duke, M. J. M.; Flynn, T. M.","Monovalent cations in structures of the meta-autunite group Sample: TlUP","The Canadian Mineralogist","2004","42","","973","996","10.2113/gscanmin.42.4.973","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004859","7.1905","","7.1905","","17.97","","90","","90","","90","","929.108","","","","","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- As O7.008 Tl2.992 U -","- As O7.008 Tl2.992 U -","- As4 O28.032 Tl11.968 U4 -","4","0.25","","Locock, A. J.; Burns, P. C.; Duke, M. J. M.; Flynn, T. M.","Monovalent cations in structures of the meta-autunite group Sample: TlUAs","The Canadian Mineralogist","2004","42","","973","996","10.2113/gscanmin.42.4.973","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9007703","7.1615","","7.1615","","17.639","","90","","90","","90","","904.653","","","","","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- As D9 O10 U -","- As D9 O10 U -","- As4 D36 O40 U4 -","4","0.25","","Fitch, A. N.; Bernard, L.; Howe, A. T.; Wright, A. F.; Fender, B. E. F.","The room-temperature structure of DUO2AsO4*4D2O by powder neutron diffraction Locality: synthetic","Acta Crystallographica, Section C","1983","39","","159","162","10.1107/S0108270183003960","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9009760","7.3707","","7.3707","","15.5904","","90","","90","","90","","846.983","","","","","","","","","","","","Synthetic","4","P 4/n c c :2","-P 4a 2ac","130","","","Wesselsite","- Cu O10 Si4 Sr -","- Cu O10 Si4 Sr -","- Cu4 O40 Si16 Sr4 -","4","0.25","","Chakoumakos, B. C.; Fernandez-Baca J A; Boatner, L. A.","Refinement of the structures of the layer silicates MCuSi4O10 (M=Ca,Sr,Ba) by Rietveld analysis of neutron powder diffraction data Note: gillespite structure","Journal of Solid State Chemistry","1993","103","","105","113","10.1006/jssc.1993.1083","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009761","7.4409","","7.4409","","16.1367","","90","","90","","90","","893.441","","","","","","","","","","","","Synthetic","4","P 4/n c c :2","-P 4a 2ac","130","","","Effenbergerite","- Ba Cu O10 Si4 -","- Ba Cu O10 Si4 -","- Ba4 Cu4 O40 Si16 -","4","0.25","","Chakoumakos, B. C.; Fernandez-Baca J A; Boatner, L. A.","Refinement of the structures of the layer silicates MCuSi4O10 (M=Ca,Sr,Ba) by Rietveld analysis of neutron powder diffraction data Note: gillespite structure","Journal of Solid State Chemistry","1993","103","","105","113","10.1006/jssc.1993.1083","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009762","7.3017","","7.3017","","15.1303","","90","","90","","90","","806.669","","","","","","","","","","","","Synthetic","4","P 4/n c c :2","-P 4a 2ac","130","","","Cuprorivaite","- Ca Cu O10 Si4 -","- Ca Cu O10 Si4 -","- Ca4 Cu4 O40 Si16 -","4","0.25","","Chakoumakos, B. C.; Fernandez-Baca J A; Boatner, L. A.","Refinement of the structures of the layer silicates MCuSi4O10 (M=Ca,Sr,Ba) by Rietveld analysis of neutron powder diffraction data Note: gillespite structure","Journal of Solid State Chemistry","1993","103","","105","113","10.1006/jssc.1993.1083","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009829","9.833","","9.833","","20.591","","90","","90","","90","","1990.9","","","","","","","","","","","","Mount Tolbachik, Kamchatka, USSR","6","P 4/n c c :2","-P 4a 2ac","130","","","Nabokoite","- Cl Cu7 K O24 S5 Te -","- Cl Cu7 K O24 S5 Te -","- Cl4 Cu28 K4 O96 S20 Te4 -","4","0.25","","Pertlik, F.; Zemann, J.","The crystal structure of nabokoite, Cu7TeO4(SO4)5*KCl: The first example of a Te(IV)O4 pyramid with exactly tetragonal symmetry","Mineralogy and Petrology","1988","38","","291","298","10.1007/BF01167095","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9010625","6.9564","","6.9564","","17.826","","90","","90","","90","","862.627","","","","","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- H8 K Np O9 P -","- H6 K Np O9 P -","- H24 K4 Np4 O36 P4 -","4","0.25","","Forbes, T. Z.; Burns, P. C.","The crystal structures of X(NpO2)(PO4)(H2O)3 (X = K+, Na+, Rb+, NH4+) and their relationship to the autunite group Sample: KP1","The Canadian Mineralogist","2007","45","","471","477","10.2113/gscanmin.45.3.471","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9010626","7.005","","7.005","","16.986","","90","","90","","90","","833.503","","","","","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- H16 Na Np O9 P -","- H6 Na Np O9 P -","- H24 Na4 Np4 O36 P4 -","4","0.25","","Forbes, T. Z.; Burns, P. C.","The crystal structures of X(NpO2)(PO4)(H2O)3 (X = K+, Na+, Rb+, NH4+) and their relationship to the autunite group Sample: NaP1","The Canadian Mineralogist","2007","45","","471","477","10.2113/gscanmin.45.3.471","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:51",""
"9010627","7.031","","7.031","","17.87","","90","","90","","90","","883.403","","","","","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- H4 Np O9 P Rb -","- H6 Np O9 P Rb -","- H24 Np4 O36 P4 Rb4 -","4","0.25","","Forbes, T. Z.; Burns, P. C.","The crystal structures of X(NpO2)(PO4)(H2O)3 (X = K+, Na+, Rb+, NH4+) and their relationship to the autunite group Sample: RbP1","The Canadian Mineralogist","2007","45","","471","477","10.2113/gscanmin.45.3.471","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9010628","6.9843","","6.9843","","18.023","","90","","90","","90","","879.17","","","","","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- H4 N Np O9 P -","- H6 N Np O9 P -","- H24 N4 Np4 O36 P4 -","4","0.25","","Forbes, T. Z.; Burns, P. C.","The crystal structures of X(NpO2)(PO4)(H2O)3 (X = K+, Na+, Rb+, NH4+) and their relationship to the autunite group Sample: NH4P1","The Canadian Mineralogist","2007","45","","471","477","10.2113/gscanmin.45.3.471","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9010785","7.39675","","7.39675","","15.8465","","90","","90","","90","","866.992","","","","5","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","Effenbergerite","- Ba0.5 Cu O12 Si4 Sr0.5 -","- Ba0.5 Cu O12 Si4 Sr0.5 -","- Ba2 Cu4 O48 Si16 Sr2 -","4","0.25","","Knight, K. S.; Henderson, C. M. B.","Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 5 K","European Journal of Mineralogy","2007","19","","189","200","10.1127/0935-1221/2007/0019-1711","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010786","7.3964","","7.3964","","15.8466","","90","","90","","90","","866.916","","","","25","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","Effenbergerite","- Ba0.5 Cu O12 Si4 Sr0.5 -","- Ba0.5 Cu O12 Si4 Sr0.5 -","- Ba2 Cu4 O48 Si16 Sr2 -","4","0.25","","Knight, K. S.; Henderson, C. M. B.","Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 25 K","European Journal of Mineralogy","2007","19","","189","200","10.1127/0935-1221/2007/0019-1711","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010787","7.39601","","7.39601","","15.8469","","90","","90","","90","","866.841","","","","50","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","Effenbergerite","- Ba0.5 Cu O12 Si4 Sr0.5 -","- Ba0.5 Cu O12 Si4 Sr0.5 -","- Ba2 Cu4 O48 Si16 Sr2 -","4","0.25","","Knight, K. S.; Henderson, C. M. B.","Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 50 K","European Journal of Mineralogy","2007","19","","189","200","10.1127/0935-1221/2007/0019-1711","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010788","7.39533","","7.39533","","15.8482","","90","","90","","90","","866.752","","","","100","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","Effenbergerite","- Ba0.5 Cu O12 Si4 Sr0.5 -","- Ba0.5 Cu O12 Si4 Sr0.5 -","- Ba2 Cu4 O48 Si16 Sr2 -","4","0.25","","Knight, K. S.; Henderson, C. M. B.","Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 100 K","European Journal of Mineralogy","2007","19","","189","200","10.1127/0935-1221/2007/0019-1711","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010789","7.39482","","7.39482","","15.8504","","90","","90","","90","","866.753","","","","150","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","Effenbergerite","- Ba0.5 Cu O12 Si4 Sr0.5 -","- Ba0.5 Cu O12 Si4 Sr0.5 -","- Ba2 Cu4 O48 Si16 Sr2 -","4","0.25","","Knight, K. S.; Henderson, C. M. B.","Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 150 K","European Journal of Mineralogy","2007","19","","189","200","10.1127/0935-1221/2007/0019-1711","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010790","7.39447","","7.39447","","15.8534","","90","","90","","90","","866.835","","","","200","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","Effenbergerite","- Ba0.5 Cu O12 Si4 Sr0.5 -","- Ba0.5 Cu O12 Si4 Sr0.5 -","- Ba2 Cu4 O48 Si16 Sr2 -","4","0.25","","Knight, K. S.; Henderson, C. M. B.","Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 200 K","European Journal of Mineralogy","2007","19","","189","200","10.1127/0935-1221/2007/0019-1711","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010791","7.39428","","7.39428","","15.8573","","90","","90","","90","","867.004","","","","250","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","Effenbergerite","- Ba0.5 Cu O12 Si4 Sr0.5 -","- Ba0.5 Cu O12 Si4 Sr0.5 -","- Ba2 Cu4 O48 Si16 Sr2 -","4","0.25","","Knight, K. S.; Henderson, C. M. B.","Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 250 K","European Journal of Mineralogy","2007","19","","189","200","10.1127/0935-1221/2007/0019-1711","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010792","7.39425","","7.39425","","15.8621","","90","","90","","90","","867.259","","","","300","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","Effenbergerite","- Ba0.5 Cu O12 Si4 Sr0.5 -","- Ba0.5 Cu O12 Si4 Sr0.5 -","- Ba2 Cu4 O48 Si16 Sr2 -","4","0.25","","Knight, K. S.; Henderson, C. M. B.","Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 300 K","European Journal of Mineralogy","2007","19","","189","200","10.1127/0935-1221/2007/0019-1711","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9011340","7.0221","","7.0221","","18.0912","","90","","90","","90","","892.075","","","","","","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","Uramphite (deuterated)","- D6 H4 N O9 P U -","- D10 N O9 P U -","- D40 N4 O36 P4 U4 -","4","0.25","","Fitch, A. N.; Fender, B. E. F.","The structure of deuterated ammomium uranyl phosphate trihydrate, ND4UO2PO4*3D2O by powder neutron diffraction","Acta Crystallographica, Section C","1983","39","","162","166","10.1107/S0108270183003972","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011526","7.1065","","7.1065","","17.4195","","90","","90","","90","","879.726","","","","","","","","","","","","Synthetic","5","P 4/n c c :2","-P 4a 2ac","130","","","Metazeunerite","- As Cu0.5 H4 O10 U -","- As Cu0.5 H8 O10 U -","- As4 Cu2 H32 O40 U4 -","4","0.25","","Hennig, C.; Reck, G.; Reich, T.; Robberg, A.; Kraus, W.; Sieler, J.","EXAFS and XRD investigations of zeunerite and meta-zeunerite Sample: Ordered","Zeitschrift fur Kristallographie","2003","218","","37","45","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:11",""
"9014060","7.171","","7.171","","18.048","","90","","90","","90","","928.087","","","","","","","","","","","","Synthetic","5","P 4/n c c :2","-P 4a 2ac","130","","","Abernathyite","- As H7.5 K0.5 O9.5 U -","- As H7.5 K0.5 O9.5 U -","- As4 H30 K2 O38 U4 -","4","0.25","","Ross, M.; Evans, H. T.","Studies of the torbernite minerals (I): The crystal structure of abernathyite and the structurally related compounds NH4(UO2AsO4).3H2O and K(H3O)(UO2AsO4)2.6H2O Sample: Abernathyite - K(H3O)","American Mineralogist","1964","49","","1578","1602","","","","","","","","","","","","","","","","","","","","","","has coordinates","283755","2023-05-14","10:05:41",""
"9014181","7.3964","","7.3964","","15.8466","","90","","90","","90","","866.916","","","","","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","Wesselsite","- Ba0.5 Cu O10 Si4 Sr0.5 -","- Ba2 Cu4 O40 Si16 Sr2 -","- Ba2 Cu4 O40 Si16 Sr2 -","","","","Knight, K. S.; Henderson, C. M. B.","Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 25 K","European Journal of Mineralogy","2007","19","","189","200","10.1127/0935-1221/2007/0019-1711","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014206","7.39533","","7.39533","","15.8482","","90","","90","","90","","866.752","","","","","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","Effenbergerite","- Ba0.5 Cu O10 Si4 Sr0.5 -","- Ba2 Cu4 O40 Si16 Sr2 -","- Ba2 Cu4 O40 Si16 Sr2 -","","","","Knight, K. S.; Henderson, C. M. B.","Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 100 K","European Journal of Mineralogy","2007","19","","189","200","10.1127/0935-1221/2007/0019-1711","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014290","7.189","","7.189","","18.191","","90","","90","","90","","940.142","","","","","","","","","","","","Synthetic","5","P 4/n c c :2","-P 4a 2ac","130","","","Abernathyite","- As H10 N O9 U -","- As H10 N O9 U -","- As4 H40 N4 O36 U4 -","4","0.25","","Ross, M.; Evans, H. T.","Studies of the torbernite minerals (I): The crystal structure of abernathyite and the structurally related compounds NH4(UO2AsO4).3H2O and K(H3O)(UO2AsO4)2.6H2O Sample : Abernathyite - NH4","American Mineralogist","1964","49","","1578","1602","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9014293","6.9935","","6.9935","","17.5101","","90","","90","","90","","856.402","","","","","","","","","","","","Lake Boga Granite, Victoria, Australia","5","P 4/n c c :2","-P 4a 2ac","130","","","Metanatroautunite","- H6 Na O9 P U -","- H6 Na O9 P U -","- H24 Na4 O36 P4 U4 -","4","0.25","","Mills, S. J.; Kampf, A. R.; Birch, W. D.","The crystal structure of metanatroautunite, Na[(UO2)(PO4)](H2O)3, from the Lake Boga Granite, Victoria, Australia Note: z-coordinate of U changed from .40959 to match reported bond lengths","American Mineralogist","2012","97","","735","738","10.2138/am.2012.3866","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014338","7.39425","","7.39425","","15.8621","","90","","90","","90","","867.259","","","","","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","Wesselsite","- Ba0.5 Cu O10 Si4 Sr0.5 -","- Ba2 Cu4 O40 Si16 Sr2 -","- Ba2 Cu4 O40 Si16 Sr2 -","","","","Knight, K. S.; Henderson, C. M. B.","Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 300 K","European Journal of Mineralogy","2007","19","","189","200","10.1127/0935-1221/2007/0019-1711","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014506","7.41932","","7.41932","","16.0402","","90","","90","","90","","882.954","","","","","","","","","","","","Synthetic","5","P 4/n c c :2","-P 4a 2ac","130","","","Effenbergerite","- Ba0.821 Cu O10 Si4 Sr0.179 -","- Ba3.284 Cu4 O40 Si16 Sr0.716 -","- Ba3.284 Cu4 O40 Si16 Sr0.716 -","","","","Knight, K. S.; Henderson, C. M. B.; Clark, S. M.","Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .821","European Journal of Mineralogy","2010","22","","411","423","10.1127/0935-1221/2010/0022-2025","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014581","7.39447","","7.39447","","15.8534","","90","","90","","90","","866.835","","","","","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","Effenbergerite","- Ba0.5 Cu O10 Si4 Sr0.5 -","- Ba2 Cu4 O40 Si16 Sr2 -","- Ba2 Cu4 O40 Si16 Sr2 -","","","","Knight, K. S.; Henderson, C. M. B.","Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 200 K","European Journal of Mineralogy","2007","19","","189","200","10.1127/0935-1221/2007/0019-1711","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014617","7.39601","","7.39601","","15.8469","","90","","90","","90","","866.841","","","","","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","Wesselsite","- Ba0.5 Cu O10 Si4 Sr0.5 -","- Ba2 Cu4 O40 Si16 Sr2 -","- Ba2 Cu4 O40 Si16 Sr2 -","","","","Knight, K. S.; Henderson, C. M. B.","Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 50 K","European Journal of Mineralogy","2007","19","","189","200","10.1127/0935-1221/2007/0019-1711","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014690","7.37735","","7.37735","","15.7266","","90","","90","","90","","855.925","","","","","","","","","","","","Synthetic","5","P 4/n c c :2","-P 4a 2ac","130","","","Wesselsite","- Ba0.276 Cu O10 Si4 Sr0.724 -","- Ba1.104 Cu4 O40 Si16 Sr2.896 -","- Ba1.104 Cu4 O40 Si16 Sr2.896 -","","","","Knight, K. S.; Henderson, C. M. B.; Clark, S. M.","Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .276","European Journal of Mineralogy","2010","22","","411","423","10.1127/0935-1221/2010/0022-2025","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014924","7.36858","","7.36858","","15.6346","","90","","90","","90","","848.896","","","","","","","","","","","","Synthetic","5","P 4/n c c :2","-P 4a 2ac","130","","","Wesselsite","- Ba0.105 Cu O10 Si4 Sr0.895 -","- Ba0.42 Cu4 O40 Si16 Sr3.58 -","- Ba0.42 Cu4 O40 Si16 Sr3.58 -","","","","Knight, K. S.; Henderson, C. M. B.; Clark, S. M.","Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .105","European Journal of Mineralogy","2010","22","","411","423","10.1127/0935-1221/2010/0022-2025","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014931","7.442","","7.442","","16.133","","90","","90","","90","","893.5","","","","","","","","","","","","Wessels mine, Kalahari Manganese Field, South Africa","4","P 4/n c c :2","-P 4a 2ac","130","","","Effenbergerite","- Ba Cu O10 Si4 -","- Ba4 Cu4 O40 Si16 -","- Ba4 Cu4 O40 Si16 -","","","","Giester, G.; Rieck, B.","Effenbergerite, BaCu[Si4O10], a new mineral from the Kalahari Manganese Field, South Africa: description and crystal structure","Mineralogical Magazine","1994","58","","663","670","10.1180/minmag.1994.058.393.17","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014975","7.403","","7.403","","15.9357","","90","","90","","90","","873.347","","","","","","","","","","","","Synthetic","5","P 4/n c c :2","-P 4a 2ac","130","","","Effenbergerite","- Ba0.636 Cu O10 Si4 Sr0.364 -","- Ba2.544 Cu4 O40 Si16 Sr1.456 -","- Ba2.544 Cu4 O40 Si16 Sr1.456 -","","","","Knight, K. S.; Henderson, C. M. B.; Clark, S. M.","Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .636","European Journal of Mineralogy","2010","22","","411","423","10.1127/0935-1221/2010/0022-2025","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015079","7.3752","","7.3752","","15.6902","","90","","90","","90","","853.446","","","","","","","","","","","","Synthetic","5","P 4/n c c :2","-P 4a 2ac","130","","","Wesselsite","- Ba0.193 Cu O10 Si4 Sr0.807 -","- Ba0.772 Cu4 O40 Si16 Sr3.228 -","- Ba0.772 Cu4 O40 Si16 Sr3.228 -","","","","Knight, K. S.; Henderson, C. M. B.; Clark, S. M.","Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .193","European Journal of Mineralogy","2010","22","","411","423","10.1127/0935-1221/2010/0022-2025","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015091","7.39428","","7.39428","","15.8573","","90","","90","","90","","867.004","","","","","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","Effenbergerite","- Ba0.5 Cu O10 Si4 Sr0.5 -","- Ba2 Cu4 O40 Si16 Sr2 -","- Ba2 Cu4 O40 Si16 Sr2 -","","","","Knight, K. S.; Henderson, C. M. B.","Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 250 K","European Journal of Mineralogy","2007","19","","189","200","10.1127/0935-1221/2007/0019-1711","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015184","7.38801","","7.38801","","15.8265","","90","","90","","90","","863.853","","","","","","","","","","","","Synthetic","5","P 4/n c c :2","-P 4a 2ac","130","","","Wesselsite","- Ba0.402 Cu O10 Si4 Sr0.598 -","- Ba1.608 Cu4 O40 Si16 Sr2.392 -","- Ba1.608 Cu4 O40 Si16 Sr2.392 -","","","","Knight, K. S.; Henderson, C. M. B.; Clark, S. M.","Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .402","European Journal of Mineralogy","2010","22","","411","423","10.1127/0935-1221/2010/0022-2025","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015338","7.43602","","7.43602","","16.1302","","90","","90","","90","","891.91","","","","","","","","","","","","Synthetic","4","P 4/n c c :2","-P 4a 2ac","130","","","Effenbergerite","- Ba Cu O10 Si4 -","- Ba4 Cu4 O40 Si16 -","- Ba4 Cu4 O40 Si16 -","","","","Knight, K. S.; Henderson, C. M. B.; Clark, S. M.","Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = 1.000","European Journal of Mineralogy","2010","22","","411","423","10.1127/0935-1221/2010/0022-2025","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015737","7.38813","","7.38813","","15.8516","","90","","90","","90","","865.251","","","","","","","","","","","","Synthetic","5","P 4/n c c :2","-P 4a 2ac","130","","","Wesselsite","- Ba0.492 Cu O10 Si4 Sr0.508 -","- Ba1.968 Cu4 O40 Si16 Sr2.032 -","- Ba1.968 Cu4 O40 Si16 Sr2.032 -","","","","Knight, K. S.; Henderson, C. M. B.; Clark, S. M.","Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .492","European Journal of Mineralogy","2010","22","","411","423","10.1127/0935-1221/2010/0022-2025","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015853","7.36657","","7.36657","","15.5844","","90","","90","","90","","845.709","","","","","","","","","","","","Synthetic","4","P 4/n c c :2","-P 4a 2ac","130","","","Wesselsite","- Cu O10 Si4 Sr -","- Cu4 O40 Si16 Sr4 -","- Cu4 O40 Si16 Sr4 -","","","","Knight, K. S.; Henderson, C. M. B.; Clark, S. M.","Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = 0.000","European Journal of Mineralogy","2010","22","","411","423","10.1127/0935-1221/2010/0022-2025","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015986","7.176","","7.176","","18.126","","90","","90","","90","","933.398","","","","","","","","","","","","Fuemrol No. 2 mine, Temple Mountain, Emery County, Utah, USA","5","P 4/n c c :2","-P 4a 2ac","130","","","Abernathyite","- As H6 K O9 U -","- As H6 K O9 U -","- As4 H24 K4 O36 U4 -","4","0.25","","Ross, M.; Evans, H. T.","Studies of the torbernite minerals (I): The crystal structure of abernathyite and the structurally related compounds NH4(UO2AsO4).3H2O and K(H3O)(UO2AsO4)2.6H2O","American Mineralogist","1964","49","","1578","1602","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9016000","7.39675","","7.39675","","15.8465","","90","","90","","90","","866.992","","","","","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","Effenbergerite","- Ba0.5 Cu O10 Si4 Sr0.5 -","- Ba2 Cu4 O40 Si16 Sr2 -","- Ba2 Cu4 O40 Si16 Sr2 -","","","","Knight, K. S.; Henderson, C. M. B.","Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 5 K","European Journal of Mineralogy","2007","19","","189","200","10.1127/0935-1221/2007/0019-1711","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016109","7.39482","","7.39482","","15.8504","","90","","90","","90","","866.753","","","","","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","Wesselsite","- Ba0.5 Cu O10 Si4 Sr0.5 -","- Ba2 Cu4 O40 Si16 Sr2 -","- Ba2 Cu4 O40 Si16 Sr2 -","","","","Knight, K. S.; Henderson, C. M. B.","Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 150 K","European Journal of Mineralogy","2007","19","","189","200","10.1127/0935-1221/2007/0019-1711","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016325","6.995","","6.995","","17.491","","90","","90","","90","","855.835","","","","","","","","","","","","Synthetic","4","P 4/n c c :2","-P 4a 2ac","130","","","Chernikovite","- H8 O10 P U -","- H8 O10 P U -","- H32 O40 P4 U4 -","4","0.25","","Morosin, B.","Hydrogen uranyl phosphate tetrahydrate, a hydrogen ion solid electrolyte","Acta Crystallographica, Section B","1978","34","","3732","3734","10.1107/S0567740878011991","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017228","7.2958","","7.2958","","15.396","","90","","90","","90","","819.509","","","","","","","","4130000","","","","Synthetic","5","P 4/n c c :2","-P 4a 2ac","130","","","Gillespite","- Ba0.5 Cu O10 Si4 Sr0.5 -","- Ba2 Cu4 O40 Si16 Sr2 -","- Ba2 Cu4 O40 Si16 Sr2 -","","","","Knight, K. S.; Marshall, W. G.; Henderson, C. M. B.; Chamberlain, A. A.","Equation of state and a high-pressure structural phase transition in the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Note: P = 4.13 GPa","European Journal of Mineralogy","2013","25","","909","917","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:49",""