# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-21T13:53:15+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'I 2 3' 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
"1004061","8.981","0.003","8.981","0.003","8.981","0.003","90","","90","","90","","724.4","","","","","","","","","","","","","3","I 2 3","I 2 2 3","197","","LANTHANUM RUTHENIUM OXIDE (4/6/19)","","- La4 O19 Ru6 -","- La4 O19 Ru6 -","- La8 O38 Ru12 -","2","0.0833333","","Abraham, F; Trehoux, J; Thomas, D","La liaison metal-metal dans les clusters M~12~ O~36~: I - preparation et etudes structurale des phases La~4~ M~6~ O~19~ (M = Ru, Os)","Materials Research Bulletin","1977","12","","43","52","10.1016/0025-5408(77)90087-3","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004062","9.05","0.002","9.05","0.002","9.05","0.002","90","","90","","90","","741.2","","","","","","","","","","","","","3","I 2 3","I 2 2 3","197","","LANTHANUM OSMIUM OXIDE (4/6/19)","","- La4 O19 Os6 -","- La4 O19 Os6 -","- La8 O38 Os12 -","2","0.0833333","","Abraham, F; Trehoux, J; Thomas, D","La liaison metal-metal dans les clusters M~12~ O~36~: I - preparation et etudes structurale des phases La~4~ M~6~ O~19~ (M = Ru, Os)","Materials Research Bulletin","1977","12","","43","52","10.1016/0025-5408(77)90087-3","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004068","8.957","0.003","8.957","0.003","8.957","0.003","90","","90","","90","","718.6","","","","","","","","","","","","","3","I 2 3","I 2 2 3","197","","Neodymium osmium oxide (4/6/19)","","- Nd4 O19 Os6 -","- Nd4 O19 Os6 -","- Nd8 O38 Os12 -","2","0.0833333","","Abraham, F; Trehoux, J; Thomas, D","Caracterisation et structure d'un nouvel oxyde de neodyme et d'osmium derive du type K Sb O~3~-cubique: Nd~4~ Os~6~ O~19~","Journal of the Less-Common Metals","1981","77","","P23","P30","10.1016/0022-5088(81)90182-X","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004094","10.169","0.001","10.169","0.002","10.169","0.002","90","","90","","90","","1051.6","","","","","","","","","","","","","3","I 2 3","I 2 2 3","197","","Bismuth(III) bismuth(V) phosphorus oxide (9.9/1.2/.9/20)","","- Bi11.095 O20 P0.853 -","- Bi11.0952 O20 P0.853 -","- Bi22.1904 O40 P1.706 -","2","0.0833333","","Wignacourt, J P; Drache, M; Conflant, P; Boivin, J C","Nouvelles phases du systeme Bi~2~O~3~-BiPO~4~ . II.Structure et proprietes electriques d'une solution solide de type sillenite","Journal de Chimie Physique et de Physico-Chimie Biologique","1991","88","","1939","1949","","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007081","8.429","0.002","8.429","0.002","8.429","0.002","90","","90","","90","","598.9","","","","","","","","","","","","","3","I 2 3","I 2 2 3","197","","Trilithium niobium oxide","","- Li3 Nb O4 -","- Li3 Nb O4 -","- Li24 Nb8 O32 -","8","0.333333","","Grenier, J C; Martin, C; Durif, A","Etude cristallographique des orthoniobates et orthotantalates de lithium","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1964","87","","316","320","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008478","10.265","","10.265","","10.265","","90","","90","","90","","1081.6","","","","","","","","","","","","","3","I 2 3","I 2 2 3","197","","Bismuth bismuth(V) vanadium oxide (12/.7/.05/20)","","- Bi12.675 O20 V0.045 -","- Bi12.675 O20 V0.045 -","- Bi25.35 O40 V0.09 -","2","0.0833333","","Soubeyroux, J L; Devalette, M; Khachani, N; Hagenmueller, P","Etude par diffraction neutronique de la phase Bi~12~(Bi~0.75~^V^V~0.05~^V^x~0.20~)O~ ~2~0~ de structure sillenite","Journal of Solid State Chemistry","1990","86","","59","63","10.1016/0022-4596(90)90113-C","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010313","10.08","","10.08","","10.08","","90","","90","","90","","1024.2","","","","","","","","","","","","","2","I 2 3","I 2 2 3","197","","Bismuth oxide","","- Bi2 O3 -","- Bi2 O3 -","- Bi24 O36 -","12","0.5","","Sillen, L G","X-Ray Studies on Bismuth Trioxide","Arkiv foer Kemi, Mineralogi och Geologi, A","1938","12","18","1","15","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010314","10.08","","10.08","","10.08","","90","","90","","90","","1024.2","","","","","","","","","","","","","3","I 2 3","I 2 2 3","197","","Disilicon 24-bismuth 40-oxide","","- Bi24 O40 Si2 -","- Bi24 O40 Si2 -","- Bi24 O40 Si2 -","1","0.0416667","","Sillen, L G","X-Ray Studies on Bismuth Trioxide","Arkiv foer Kemi, Mineralogi och Geologi, A","1938","12","18","1","15","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1504741","25.4211","0.0002","25.4211","0.0002","25.4211","0.0002","90","","90","","90","","16427.9","0.2","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","I 2 3","I 2 2 3","197","","","","- C26 H29 N3 O3 -","- C26 H29 N3 O3 -","- C624 H696 N72 O72 -","24","1","","Deaudelin, Philippe; Lubell, William D.","Diastereoselective Pictet-Spengler approach for the synthesis of pyrrolo[3,2-e][1,4]diazepin-2-one peptide turn mimics.","Organic letters","2008","10","13","2841","2844","10.1021/ol8009978","","","1.54178","CuKα","","0.0493","0.0347","","","0.0619","0.0639","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511459","10.123","","10.123","","10.123","","90","","90","","90","","1037.36","","","","","","","","","","","","","3","I 2 3","I 2 2 3","197","","Bi24.5 B O38.25","","- B Bi24.5 O38.25 -","- B Bi24.48 O38.24 -","- B Bi24.48 O38.24 -","1","0.0416667","","Muehlberg, M.; Held, P.; Burianek, M.","Improved single crystal growth of the boron sillenite ""Bi24 B2 O39"" and investigation of the crystal structure","Crystal Research and Technology","2002","37","","785","796","10.1002/1521-4079(200208)37:8<785::AID-CRAT785>3.0.CO;2-R","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511475","4.93","","4.93","","4.93","","90","","90","","90","","119.823","","","","","","","","","","","","","2","I 2 3","I 2 2 3","197","","Li5 B4","","- B4 Li5 -","- B4 Li5 -","- B4 Li5 -","1","0.0416667","","Sutula, R.A.; Wang, F.E.; Mitchell, M.A.","The Crystal Structure Study of Li5 B4","U.S. Ntis, Ad Rep. 1977 (Ad-Ao44545)","1977","1977","","1","35","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515170","19.2362","0.0001","19.2362","0.0001","19.2362","0.0001","90","","90","","90","","7118","0.06","150","2","150","2","","","","","","","","4","I 2 3","I 2 2 3","197","","","","- C123 H195 Cl9 N12 -","- C123 H195 Cl12.96 N12 -","- C246 H390 Cl25.92 N24 -","2","0.0833333","","Giri, Nicola; Davidson, Christine E.; Melaugh, Gavin; Del Pópolo, Mario G.; Jones, James T. A.; Hasell, Tom; Cooper, Andrew I.; Horton, Peter N.; Hursthouse, Michael B.; James, Stuart L.","Alkylated organic cages: from porous crystals to neat liquids","Chemical Science","2012","3","6","2153","","10.1039/c2sc01007k","","","0.71073","MoKα","","0.0906","0.0767","","","0.1927","0.2022","","","","","","1.115","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516409","25.8471","0.0017","25.8471","0.0017","25.8471","0.0017","90","","90","","90","","17268","2","100","2","100","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C22.5 H28.24 Cl3 Eu N4 O3.62 -","- C22.375 H26.89 Cl2.99667 Eu N4 O3.62 -","- C537 H645.36 Cl71.92 Eu24 N96 O86.88 -","24","1","","Puntus, Lada N.; Lyssenko, Konstantin A.; Pekareva, Irina S.; Bünzli, Jean-Claude G","Intermolecular interactions as actors in energy-transfer processes in lanthanide complexes with 2,2'-bipyridine.","The journal of physical chemistry. B","2009","113","27","9265","9277","10.1021/jp902390z","","","0.71073","MoKα","","0.0348","0.0282","","","0.0658","0.0696","","","","","","1.069","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1521245","14.6977","","14.6977","","14.6977","","90","","90","","90","","3175.03","","","","","","","","","","","","","5","I 2 3","I 2 2 3","197","","Na14.6 Cs8.17 (Al24 Ge24 O96)","","- Al24 Cs8.17 Ge24 Na14.6 O96 -","- Al24 Cs8.162 Ge24 Na14.6 O96 -","- Al24 Cs8.162 Ge24 Na14.6 O96 -","1","0.0416667","","Johnson, G.M.; Tripathi, A.; Parise, J.B.","Synthesis and structure of a microporous aluminogermanate with the zeolite rho topology","Microporous and Mesoporous Materials","1999","28","","139","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","140930","2020-10-21","18:00:00",""
"1521247","14.6737","","14.6737","","14.6737","","90","","90","","90","","3159.5","","","","","","","","","","","","","5","I 2 3","I 2 2 3","197","","Na14.86 Cs7.94 (Al24 Ge24 O96)","","- Al24 Cs7.94 Ge24 Na14.86 O96 -","- Al24 Cs7.946 Ge24 Na14.864 O96 -","- Al24 Cs7.946 Ge24 Na14.864 O96 -","1","0.0416667","","Johnson, G.M.; Tripathi, A.; Parise, J.B.","Synthesis and structure of a microporous aluminogermanate with the zeolite rho topology","Microporous and Mesoporous Materials","1999","28","","139","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","140932","2020-10-21","18:00:00",""
"1522373","8.4295","","8.4295","","8.4295","","90","","90","","90","","598.971","","","","","","","","","","","","","2","I 2 3","I 2 2 3","197","","","","- Ga3.76 Ni -","- Ga3.76 Ni -","- Ga30.08 Ni8 -","8","0.333333","","Liang Jingkui; Xie Sishen","The structure of Ni Ga4 crystal - a new vacancy controlled gamma-brass phase","Scientia Sinica, Serie A","1983","26","","1305","1313","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522443","13.319","","13.319","","13.319","","90","","90","","90","","2362.73","","","","","","","","","","","","","3","I 2 3","I 2 2 3","197","","(Ga3.85 Ni2.15) Hf","","- Ga3.85 Hf Ni2.15 -","- Ga3.84 Hf Ni2.16 -","- Ga92.16 Hf24 Ni51.84 -","24","1","","Markiv, V.Ya.; Belyavina, N.N.","New examples od Yb Cd6 and Mg Cu Al2 structures types","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya B: Geologichni, Khimichni ta Biologichni Nauki","1983","1983","","30","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525048","15.638","","15.638","","15.638","","90","","90","","90","","3824.23","","","","","","","","","","","","","2","I 2 3","I 2 2 3","197","","","","- Cd6 Yb -","- Cd6 Yb -","- Cd144 Yb24 -","24","1","","Palenzona, A.","The ytterbium-cadmium system","Journal of the Less-Common Metals","1971","25","","367","372","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525139","10.25","","10.25","","10.25","","90","","90","","90","","1076.89","","","","","","","","","","","","","3","I 2 3","I 2 2 3","197","","","","- Bi18 Mg8 O36 -","- Bi18.0008 Mg7.9992 O36 -","- Bi18.0008 Mg7.9992 O36 -","1","0.0416667","","Ramnan, A.; Rao, C.N.R.; Gopalakrishnan, J.","Ternary bismuth oxides Bi26-x Mx O40-y (M = Mg, Al, Co, Ni) related to Bi2 O3-gamma","Materials Research Bulletin","1981","16","","169","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525140","10.25","","10.25","","10.25","","90","","90","","90","","1076.89","","","","","","","","","","","","","3","I 2 3","I 2 2 3","197","","","","- Bi18 Ni8 O36 -","- Bi18.0008 Ni7.9992 O36 -","- Bi18.0008 Ni7.9992 O36 -","1","0.0416667","","Ramnan, A.; Gopalakrishnan, J.; Rao, C.N.R.","Ternary bismuth oxides Bi26-x Mx O40-y (M = Mg, Al, Co, Ni) related to Bi2 O3-gamma","Materials Research Bulletin","1981","16","","169","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530472","10.2707","","10.2707","","10.2707","","90","","90","","90","","1083.43","","","","","","","","","","","","","3","I 2 3","I 2 2 3","197","","Bi12 Pb O19","","- Bi12 O19 Pb -","- Bi11.999 O19 Pb1.001 -","- Bi23.998 O38 Pb2.002 -","2","0.0833333","","Murray, A.D.; Catlow, C.R.A.; Drennan, J.; Beech, F.","A neutron powder diffraction study of the low temperature and high-temperature structures of Bi12 Pb O19","Journal of Solid State Chemistry","1986","62","","290","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533225","10.104","","10.104","","10.104","","90","","90","","90","","1031.53","","","","","","","","","","","","","3","I 2 3","I 2 2 3","197","","Bi12 Si O20","","- Bi12 O20 Si -","- Bi12 O20 Si -","- Bi24 O40 Si2 -","2","0.0833333","","Neov, S.; Reehuis, M.; Marinova, V.; Sonntag, R.","Neutron-diffraction study of Bi2 M O20 single crystals with sillenite structure (M = Si, Si0.995 Mn0.005, Bi0.53 Mn0.47)","Appl. Phys. A","2002","74","","S1016","S1018","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533227","10.109","","10.109","","10.109","","90","","90","","90","","1033.06","","","","","","","","","","","","","4","I 2 3","I 2 2 3","197","","Bi12 (Si0.995 Mn0.005) O20","","- Bi12 Mn0.005 O20 Si0.995 -","- Bi12 Mn0.005 O20 Si0.995 -","- Bi24 Mn0.01 O40 Si1.99 -","2","0.0833333","","Neov, S.; Marinova, V.; Reehuis, M.; Sonntag, R.","Neutron-diffraction study of Bi2 M O20 single crystals with sillenite structure (M = Si, Si0.995 Mn0.005, Bi0.53 Mn0.47)","Appl. Phys. A","2002","74","","S1016","S1018","","","","","","","","","","","","","","","","","","","","","","has coordinates","159350","2020-10-21","18:00:00",""
"1533229","10.153","","10.153","","10.153","","90","","90","","90","","1046.61","","","","","","","","","","","","","3","I 2 3","I 2 2 3","197","","Bi12 (Bi0.53 Mn0.47) O19.85","","- Bi12.53 Mn0.47 O19.85 -","- Bi12.533 Mn0.467 O19.8512 -","- Bi25.066 Mn0.934 O39.7024 -","2","0.0833333","","Neov, S.; Marinova, V.; Sonntag, R.; Reehuis, M.","Neutron-diffraction study of Bi2 M O20 single crystals with sillenite structure (M = Si, Si0.995 Mn0.005, Bi0.53 Mn0.47)","Appl. Phys. A","2002","74","","S1016","S1018","","","","","","","","","","","","","","","","","","","","","","has coordinates","159352","2020-10-21","18:00:00",""
"1534137","10.1455","","10.1455","","10.1455","","90","","90","","90","","1044.29","","","","","","","","","","","","","3","I 2 3","I 2 2 3","197","","","","- Bi12 Ge O20 -","- Bi12 Ge O20 -","- Bi24 Ge2 O40 -","2","0.0833333","","Abrahams, S.C.; Bernstein, J.L.; Jamieson, P.B.","Crystal Structure of Piezoelectric Bismuth Germanium Oxide Bi12 Ge O20","Journal of Chemical Physics","1967","47","","4034","4041","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536161","10.1939","","10.1939","","10.1939","","90","","90","","90","","1059.31","","","","","","","","","","","","","3","I 2 3","I 2 2 3","197","","Bi25.333 Zn0.667 O40","","- Bi25.333 O40 Zn0.667 -","- Bi25.3334 O40 Zn0.6666 -","- Bi25.3334 O40 Zn0.6666 -","1","0.0416667","","Craig, D.C.; Stephenson, N.C.","Structural studies of some body-centered cubic phases of mixed oxides involving Bi2 O3: the structures of Bi25 Fe O40 and Bi38 Zn O60","Journal of Solid State Chemistry","1975","15","","1","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","163769","2020-10-21","18:00:00",""
"1536796","10.167","","10.167","","10.167","","90","","90","","90","","1050.94","","","","","","","","","","","","","4","I 2 3","I 2 2 3","197","","Bi12 (Fe0.35 P0.59) O20","","- Bi12 Fe0.35 O20 P0.59 -","- Bi12 Fe0.35 O20 P0.59 -","- Bi24 Fe0.7 O40 P1.18 -","2","0.0833333","","Radaev, S.F.; Simonov, V.I.","Structure of sillenites and atomic mechanism of isomorphous displacements in them.","Kristallografiya","1992","37","","914","941","","","","","","","","","","","","","","","","","","","","","","has coordinates","164663","2020-10-21","18:00:00",""
"1540007","10.262","","10.262","","10.262","","90","","90","","90","","1080.68","","","","","","","","","","","","","3","I 2 3","I 2 2 3","197","","Bi2.09 Pb1.05 O4.17","","- Bi2.09 O4.17 Pb1.05 -","- Bi2.09 O4.1701 Pb1.05 -","- Bi16.72 O33.3608 Pb8.4 -","8","0.333333","","Zyryanov, V.V.","Structure and thermal behavior of metastable sillenites obtainedby mechanosynthesis","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2004","45","","480","490","","","","","","","","","","","","","","","","","","","","","","has coordinates","169142","2020-10-21","18:00:00",""
"1540008","10.209","","10.209","","10.209","","90","","90","","90","","1064.02","","","","","","","","","","","","","3","I 2 3","I 2 2 3","197","","","","- Bi4.11 Hg1.01 O7.17 -","- Bi4.112 Hg1.008 O7.168 -","- Bi20.56 Hg5.04 O35.84 -","5","0.208333","","Zyryanov, V.V.","Structure and thermal behavior of metastable sillenites obtainedby mechanosynthesis","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2004","45","","480","490","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540009","10.194","","10.194","","10.194","","90","","90","","90","","1059.34","","","","","","","","","","","","","3","I 2 3","I 2 2 3","197","","","","- Bi12 Cd0.7 O18.7 -","- Bi12 Cd0.7 O18.8 -","- Bi24 Cd1.4 O37.6 -","2","0.0833333","","Zyryanov, V.V.","Structure and thermal behavior of metastable sillenites obtainedby mechanosynthesis","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2004","45","","480","490","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540059","10.268","","10.268","","10.268","","90","","90","","90","","1082.57","","","","","","","","","","","","","2","I 2 3","I 2 2 3","197","","","","- Bi2 O3 -","- Bi2 O3 -","- Bi26 O39 -","13","0.541667","","Harwig, H.A.","On the structure of bismuthsesquioxide: the alpha, beta, gamma and delta phase","Zeitschrift fuer Anorganische und Allgemeine Chemie","1978","444","","151","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541149","10.247","","10.247","","10.247","","90","","90","","90","","1075.94","","","","","","","","","","","","","3","I 2 3","I 2 2 3","197","","Bi12 (Bi.03 V.89) O20.27","","- Bi12.03 O20.27 V0.89 -","- Bi12.03 O20.27 V0.89 -","- Bi24.06 O40.54 V1.78 -","2","0.0833333","","Radaev, S.F.; Muradyan, L.A.; Yudin, A.N.; Sarin, V.A.; Kanepit, V.N.; Marin, A.A.; Simonov, V.I.","Neutron-diffraction study of the atomic structure of Bi12 (V, Bi) O20+x single crystals","Doklady Akademii Nauk SSSR","1989","307","","606","610","","","","","","","","","","","","","","","","","","","","","","has coordinates","172391","2020-10-21","18:00:00",""
"1542034","9.19","","9.19","","9.19","","90","","90","","90","","776.152","","","","","","","","","","","","","4","I 2 3","I 2 2 3","197","","Ca4 (Al6 O12) (S O4)","","- Al6 Ca4 O16 S -","- Al6 Ca4 O16 S -","- Al12 Ca8 O32 S2 -","2","0.0833333","","Kondo, R.","The Synthesis and Crystallography of a Group of New Compounds Belonging to the Hauyne Type Structure","Journal of the Ceramic Association, Japan","1965","73","832","101","108","10.2109/jcersj1950.73.101","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542036","9.4","","9.4","","9.4","","90","","90","","90","","830.584","","","","","","","","","","","","","4","I 2 3","I 2 2 3","197","","Sr4 (Al6 O12) (S O4)","","- Al6 O16 S Sr4 -","- Al6 O16 S Sr4 -","- Al12 O32 S2 Sr8 -","2","0.0833333","","Kondo, R.","The Synthesis and Crystallography of a Group of New Compounds Belonging to the Hauyne Type Structure","Journal of the Ceramic Association, Japan","1965","73","832","101","108","10.2109/jcersj1950.73.101","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542038","9.42","","9.42","","9.42","","90","","90","","90","","835.897","","","","","","","","","","","","","4","I 2 3","I 2 2 3","197","","Sr4 (Al6 O12) (W O4)","","- Al6 O16 Sr4 W -","- Al6 O16 Sr4 W -","- Al12 O32 Sr8 W2 -","2","0.0833333","","Kondo, R.","The Synthesis and Crystallography of a Group of New Compounds Belonging to the Hauyne Type Structure","Journal of the Ceramic Association, Japan","1965","73","832","101","108","10.2109/jcersj1950.73.101","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542173","5.21","","5.21","","5.21","","90","","90","","90","","141.421","","","","","","","","","","","","","1","I 2 3","I 2 2 3","197","","","","- H -","- H -","- H2 -","2","0.0833333","","Barrett, C.S.; Meyer, L.; Wassermann, J.","Crystal structure of solid hydroegn and deuterium, and of neon-hydrogen and neon-deuterium mixtures","Journal of Chemical Physics","1966","45","","834","837","","","","","","","","","","","","","","","","","","","","","","has coordinates","292204","2024-06-05","14:01:46",""
"1542174","5.21","","5.21","","5.21","","90","","90","","90","","141.421","","","","","","","","","","","","","1","I 2 3","I 2 2 3","197","","","","- D -","- D -","- D4 -","4","0.166667","","Barrett, C.S.; Meyer, L.; Wassermann, J.","Crystal structure of solid hydrogen and deuterium, and of neon-hydrogen and neon-deuterium mixtures","Journal of Chemical Physics","1966","45","","834","837","","","","","","","","","","","","","","","","","","","","","","has coordinates","292204","2024-06-05","14:01:46",""
"1545674","9.42561","0.00003","9.42561","0.00003","9.42561","0.00003","90","","90","","90","","837.391","0.005","","","","","","","","","","","","4","I 2 3","I 2 2 3","197","Sr4Al6O12SO4 at 573 K","","","- Al6 O16 S Sr4 -","- Al6 O16.208 S Sr4 -","- Al12 O32.416 S2 Sr8 -","2","0.0833333","","Banno, H.; Ichikawa, S.; Takeda, S.; Asaka, T.; Colas, M.; Thomas, P.; Fukuda, K.","Crystal structures and polymorphism of Sr4[Al6O12]SO4 :data @ 573 K","Journal of the Ceramic Society of Japan","2017","125","","364","370","","","","","","","","","","","","","","","","","","","","","","has coordinates","194763","2020-10-21","18:00:00",""
"1545911","20.191","0.002","20.191","0.002","20.191","0.002","90","","90","","90","","8231.4","1.4","130","2","130","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C37 H51 Li N6 Si3 -","- C37 H51 Li N6 Si3 -","- C296 H408 Li8 N48 Si24 -","8","0.333333","","Ruccolo, Serge; Rauch, Michael; Parkin, Gerard","Tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl metal complexes, [TismPriBenz]M: a new class of metallacarbatranes, isomerization to a tris(N-heterocyclic carbene) derivative, and evidence for an inverted ligand field","Chem. Sci.","2017","","","","","10.1039/C7SC00499K","","","0.71073","MoKα","","0.0558","0.0438","","","0.1164","0.1285","","","","","","0.953","","","","has coordinates","195898","2020-10-21","18:00:00",""
"1545915","20.1294","0.0017","20.1294","0.0017","20.1294","0.0017","90","","90","","90","","8156.3","1.2","130","2","130","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C37 H51 Cu N6 Si3 -","- C37 H51 Cu N6 Si3 -","- C296 H408 Cu8 N48 Si24 -","8","0.333333","","Ruccolo, Serge; Rauch, Michael; Parkin, Gerard","Tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl metal complexes, [TismPriBenz]M: a new class of metallacarbatranes, isomerization to a tris(N-heterocyclic carbene) derivative, and evidence for an inverted ligand field","Chem. Sci.","2017","","","","","10.1039/C7SC00499K","","","0.71073","MoKα","","0.0874","0.0511","","","0.1043","0.1177","","","","","","1.022","","","","has coordinates","195898","2020-10-21","18:00:00",""
"1546352","13.1","0.003","13.1","0.003","13.1","0.003","90","","90","","90","","2248.1","0.9","","","296","","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- Be24 Ca5.5 Li8 O96 P24 -","- Be24 Ca5.184 Li18.48 O96 P24 -","- Be24 Ca5.184 Li18.48 O96 P24 -","1","0.0416667","","Corbin, David R.; Abrams, Lloyd; Jones, Glover A.; Harlow, Richard L.; Dunn, Pete J.","Flexibility of the zeolite RHO framework : effect of dehydration on the crystal structure of the beryllophosphate mineral, pahasapaite","Zeolites","1991","11","","364","367","10.1016/0144-2449(91)80302-G","","x-ray","0.71069","MoKα","","","0.042","","","0.037","","","","","","","","","","","has coordinates","197967","2020-10-21","18:00:00",""
"1550708","56.969","0.016","56.969","0.016","56.969","0.016","90","","90","","90","","184891","9","100","2","100","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C166.3 H168 K N40 O49.15 S5.1 -","- C166.31 H168 K N40 O49.155 S5.105 -","- C3991.44 H4032 K24 N960 O1179.72 S122.52 -","24","1","","Shi, Xiaodong; He, Ying; Zhang, Yanbin; Wojtas, Lukasz; Ahkmedov, Novruz G.; Thai, David; Wang, Heng; Li, Xiaopeng; Guo, Hao","Construction of cross-layer linked G-octamer via conformational control: stable G-quadruplex in H-bond competitive solvent","Chemical Science","2019","","","","","10.1039/C9SC00190E","","","0.41328","synchrotron","","0.1698","0.1286","","","0.3204","0.3403","","","","","","1.97","","","","has coordinates,has disorder","214026","2020-10-21","18:00:00",""
"1552618","25.1308","0.0006","25.1308","0.0006","25.1308","0.0006","90","","90","","90","","15871.5","0.7","100","2","100","2","","","","","","","","4","I 2 3","I 2 2 3","197","","","","- C24 H37 N O5 -","- C24 H35 N O5 -","- C576 H840 N24 O120 -","24","1","","Zhang, Xiaotian; Yang, Lu; Wang, Wenjing; Wu, Zhaodi; Wang, Jianping; Sun, Weiguang; Li, Xiao-Nian; Chen, Chunmei; Zhu, Hucheng; Zhang, Yonghui","Flavipesines A and B and Asperchalasines E-H: Cytochalasans and Merocytochalasans from <i>Aspergillus flavipes</i>.","Journal of natural products","2019","82","11","2994","3001","10.1021/acs.jnatprod.9b00512","","","1.54178","CuKα","","0.0383","0.0378","","","0.1026","0.1031","","","","","","1.036","","","","has coordinates","246570","2020-10-21","18:00:00",""
"1557709","41.6063","0.0014","41.6063","0.0014","41.6063","0.0014","90","","90","","90","","72024","4","120","2","120","","","","","","","","","7","I 2 3","I 2 2 3","197","","","","- C288 H330 Cu2 Na2 O496 P6 W72 -","- C288 H330 Cu2 Na1.9998 O496 P6 W72 -","- C1152 H1320 Cu8 Na7.9992 O1984 P24 W288 -","4","0.166667","","Jiang, Zhan-Guo; Mao, Wei-Tao; Huang, Dan-Ping; Wang, Yu; Wang, Xiao-Juan; Zhan, Cai-Hong","A nonconventional host-guest cubic assembly based on γ-cyclodextrin and a Keggin-type polyoxometalate.","Nanoscale","2020","12","18","10166","10171","10.1039/d0nr00973c","","","0.71073","MoKα","","0.0365","0.0328","","","0.0918","0.0939","","","","","","1.045","","","","has coordinates,has disorder","252852","2020-10-21","18:00:00",""
"1557710","41.7665","0.0008","41.7665","0.0008","41.7665","0.0008","90","","90","","90","","72859","2","120","2","120.01","","","","","","","","","7","I 2 3","I 2 2 3","197","","","","- C144 H165 Co Na O252 P3 W36 -","- C144 H165 Co Na O252 P3 W36 -","- C1152 H1320 Co8 Na8 O2016 P24 W288 -","8","0.333333","","Jiang, Zhan-Guo; Mao, Wei-Tao; Huang, Dan-Ping; Wang, Yu; Wang, Xiao-Juan; Zhan, Cai-Hong","A nonconventional host-guest cubic assembly based on γ-cyclodextrin and a Keggin-type polyoxometalate.","Nanoscale","2020","12","18","10166","10171","10.1039/d0nr00973c","","","0.71073","MoKα","","0.0433","0.0374","","","0.0999","0.1043","","","","","","1.046","","","","has coordinates","252852","2020-10-21","18:00:00",""
"1562555","14.4656","0.0001","14.4656","0.0001","14.4656","0.0001","90","","90","","90","","3026.98","0.04","25","","25","","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- Al24 K6.35 O96 P16.36 Si7.64 -","- Al24 K6.3544 O96 P16.3632 Si7.6368 -","- Al24 K6.3544 O96 P16.3632 Si7.6368 -","1","0.0416667","","Wang, Xiaohe; Yan, Nana; Xie, Miao; Liu, Puxu; Bai, Pu; Su, Haopeng; Wang, Binyu; Wang, Yunzheng; Li, Libo; Cheng, Tao; Guo, Peng; Yan, Wenfu; Yu, Jihong","The inorganic cation-tailored “trapdoor” effect of silicoaluminophosphate zeolite for highly selective CO2 separation","Chemical Science","2021","12","25","8803","8810","10.1039/D1SC00619C","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.01775","3.3713","","","","","","","has coordinates","267088","2021-07-05","16:55:16",""
"1562556","14.472","0.0002","14.472","0.0002","14.472","0.0002","90","","90","","90","","3031","0.07","25","","25","","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- Al24 Na7.9 O96 P16.36 Si7.64 -","- Al24 Na7.896 O96 P16.3584 Si7.6416 -","- Al24 Na7.896 O96 P16.3584 Si7.6416 -","1","0.0416667","","Wang, Xiaohe; Yan, Nana; Xie, Miao; Liu, Puxu; Bai, Pu; Su, Haopeng; Wang, Binyu; Wang, Yunzheng; Li, Libo; Cheng, Tao; Guo, Peng; Yan, Wenfu; Yu, Jihong","The inorganic cation-tailored “trapdoor” effect of silicoaluminophosphate zeolite for highly selective CO2 separation","Chemical Science","2021","12","25","8803","8810","10.1039/D1SC00619C","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.00658","1.5266","","","","","","","has coordinates","267088","2021-07-05","16:55:16",""
"1562557","14.6832","0.0002","14.6832","0.0002","14.6832","0.0002","90","","90","","90","","3165.64","0.07","25","","25","","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- Al24 Cs6.6 O96 P16.26 Si7.74 -","- Al24 Cs6.6 O96 P16.2552 Si7.7448 -","- Al24 Cs6.6 O96 P16.2552 Si7.7448 -","1","0.0416667","","Wang, Xiaohe; Yan, Nana; Xie, Miao; Liu, Puxu; Bai, Pu; Su, Haopeng; Wang, Binyu; Wang, Yunzheng; Li, Libo; Cheng, Tao; Guo, Peng; Yan, Wenfu; Yu, Jihong","The inorganic cation-tailored “trapdoor” effect of silicoaluminophosphate zeolite for highly selective CO2 separation","Chemical Science","2021","12","25","8803","8810","10.1039/D1SC00619C","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.05352","4.2486","","","","","","","has coordinates","267088","2021-07-05","16:55:16",""
"1562558","14.6833","0.0002","14.6833","0.0002","14.6833","0.0002","90","","90","","90","","3165.71","0.07","25","","25","","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- Al24 Cs6.6 O157.98 P16.26 Si7.74 -","- Al24 Cs6.5992 O157.984 P16.2552 Si7.7448 -","- Al24 Cs6.5992 O157.984 P16.2552 Si7.7448 -","1","0.0416667","","Wang, Xiaohe; Yan, Nana; Xie, Miao; Liu, Puxu; Bai, Pu; Su, Haopeng; Wang, Binyu; Wang, Yunzheng; Li, Libo; Cheng, Tao; Guo, Peng; Yan, Wenfu; Yu, Jihong","The inorganic cation-tailored “trapdoor” effect of silicoaluminophosphate zeolite for highly selective CO2 separation","Chemical Science","2021","12","25","8803","8810","10.1039/D1SC00619C","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.02336","2.1844","","","","","","","has coordinates","267088","2021-07-05","16:55:16",""
"1569952","26.6062","0.0004","26.6062","0.0004","26.6062","0.0004","90","","90","","90","","18834.3","0.5","198","","198","","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C81 H96 N3 O9 P3 -","- C81 H96 N3 O9 P3 -","- C648 H768 N24 O72 P24 -","8","0.333333","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0879","0.0866","","","0.2279","0.2307","","","","","","1.043","","","","has coordinates","287297","2023-11-06","06:44:59",""
"1572612","26.0034","0.0003","26.0034","0.0003","26.0034","0.0003","90","","90","","90","","17582.9","0.4","150","2","150","2","","","","","","","","6","I 2 3","I 2 2 3","197","","bis[Octa(mu-L-phenylalanine-kO:kO')tetra(mu3-3-hydroxido)tetra(mu3-oxido)Hexazirconium]dodecachloride-water (1/16.5)","","- C72 H141 Cl12 N8 O48.5 Zr6 -","- C72 H116 Cl12 N8 O36 Zr6 -","- C432 H696 Cl72 N48 O216 Zr36 -","6","0.25","","García-Hernán, Andrea; Aguilar-Galindo, Fernando; Castillo, Oscar; Amo-Ochoa, Pilar","1D Zn(ii)/2D Cu(i) halogen pyridyl coordination polymers. Band gap engineering by DFT for predicting more efficient photocatalysts in water treatment","Catalysis Science & Technology","2024","14","22","6573","6583","10.1039/D4CY00969J","","x-ray","0.71073","MoKα","","0.1704","0.0509","","","0.0795","0.0906","","","","","","0.643","","","","has coordinates,has disorder","296254","2024-12-06","14:26:45",""
"2000129","16.3782","0.0002","16.3782","0.0002","16.3782","0.0002","90","","90","","90","","4393.38","","","","","","","","","","","","","7","I 2 3","I 2 2 3","197","","","","- C54 H166 F6 Ga32 N12 O148 P32 -","- C156 H12 F128 Ga1192 O4320 P1576 -","- C156 H12 F128 Ga1192 O4320 P1576 -","1","0.0416667","","Reinert, P.; Marler, B.; Patarin, J.","Synthesis and characterization of the new microporous fluorogallophosphate Mu-2 with a novel framework topology","Chemical Communications","1998","","16","1769","1770","10.1039/a803423k","","","","","","","0.077","","","0.077","","","","","","","","","","","has coordinates","199775","2020-10-21","18:00:00",""
"2009738","10.22","0.02","10.22","0.02","10.22","0.02","90","","90","","90","","1067","4","293","","","","","","","","","","","3","I 2 3","I 2 2 3","","","","","- Bi12.5 O19.5 Tl0.5 -","- Bi12.5 O19.52 Tl0.5 -","- Bi25 O39.04 Tl -","2","0.0833333","SH1073","Radaev, S. F.; Trömel, M.; Kargin, Y. F.; Marin, A. A.; Rider, E. E.; Sarin, V. A.","Bi~12~(Bi~0.5~^III^Tl~0.5~^III^)O~19.50~","Acta Crystallographica Section C","1994","50","5","656","659","10.1107/S0108270193011205","","neutron","1.167","neutron","","","0.0172","","","0.0145","","","","","1.47","1.47","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100844","10.2501","0.0005","10.2501","0.0005","10.2501","0.0005","90","","90","","90","","1076.9","0.2","","","","","","","","","","","","2","I 2 3","I 2 2 3","","","","","- Bi2 O3 -","- Bi13 O20 -","- Bi26 O40 -","2","0.0833333","DU0321","Radaev, S. F.; Simonov, V. I.; Kargin, Yu. F.","Structural features of γ-phase Bi~2~O~3~ and its place in the sillenite family","Acta Crystallographica Section B","1992","48","5","604","609","10.1107/S0108768192003847","","neutron","2.3145","neutron","","","","","","","","","","","","","","","","","has coordinates","287670","2023-11-17","14:28:49",""
"2102071","18.8492","0.001","18.8492","0.001","18.8492","0.001","90","","90","","90","","6697","0.6","100","2","100","2","","","","","","","","3","I 2 3","I 2 2 3","197","(C60)4(twin-TDAS)3","","","- C252 N12 S18 -","- C252 N12 S18 -","- C504 N24 S36 -","2","0.0833333","CF0010","Penicaud, Alain; Boubekeur, Kamal; Kotov, Alexander I.; Yagubskii, Eduard B.","Novel infinite three-dimensional network of neutral fullerene molecules in (C~60~)~8~(twin-TDAS)~6~","Acta Crystallographica Section B","2000","56","3","497","500","10.1107/S0108768199016560","","","0.71073","MoKα","","0.0637","0.0456","","0.1162","0.1045","","","","0.56","0.613","0.613","","","","","has coordinates,has Fobs","282213","2023-04-03","16:30:55",""
"4030656","10.202","0.005","10.202","0.005","10.202","0.005","90","","90","","90","","1061.8","0.9","","","293","","","","","","","","","3","I 2 3","I 2 2 3","197","","","","- Bi24 O40 Ti2 -","- Bi24 O40 Ti2 -","- Bi24 O40 Ti2 -","1","0.0416667","","Rangavittal, N; Guru Row, T. N.; Rao, C. N. R.","A study of cubic bismuth oxides of the type Bi(26-x)MxO(40-delta) (M = Ti, Mn, Fe, Co, Ni or Pb) related to gamma-Bi2O3","European Journal of Solid State and Inorganic Chemistry","1994","31","","409","422","","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0781","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030657","10.199","0.001","10.199","0.001","10.199","0.001","90","","90","","90","","1060.9","0.18","","","293","","","","","","","","","3","I 2 3","I 2 2 3","197","","","","- Bi16.3 Co8.9 O40 -","- Bi16.32 Co8.9 O40 -","- Bi16.32 Co8.9 O40 -","1","0.0416667","","Rangavittal, N; Guru Row, T. N.; Rao, C. N. R.","A study of cubic bismuth oxides of the type Bi(26-x)MxO(40-delta) (M = Ti, Mn, Fe, Co, Ni or Pb) related to gamma-Bi2O3","European Journal of Solid State and Inorganic Chemistry","1994","31","","409","422","","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.1125","","","","","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030658","10.19","0.001","10.19","0.001","10.19","0.001","90","","90","","90","","1058.09","0.18","","","293","","","","","","","","","3","I 2 3","I 2 2 3","197","","","","- Bi12.2 Co12.8 O40 -","- Bi12.24 Co12.8 O40 -","- Bi12.24 Co12.8 O40 -","1","0.0416667","","Rangavittal, N; Guru Row, T. N.; Rao, C. N. R.","A study of cubic bismuth oxides of the type Bi(26-x)MxO(40-delta) (M = Ti, Mn, Fe, Co, Ni or Pb) related to gamma-Bi2O3","European Journal of Solid State and Inorganic Chemistry","1994","31","","409","422","","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.1351","","","","","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030659","10.138","0.002","10.138","0.002","10.138","0.002","90","","90","","90","","1042","0.4","","","293","","","","","","","","","3","I 2 3","I 2 2 3","197","","","","- Bi10.1 Co15.9 O40 -","- Bi10.08 Co15.92 O40 -","- Bi10.08 Co15.92 O40 -","1","0.0416667","","Rangavittal, N; Guru Row, T. N.; Rao, C. N. R.","A study of cubic bismuth oxides of the type Bi(26-x)MxO(40-delta) (M = Ti, Mn, Fe, Co, Ni or Pb) related to gamma-Bi2O3","European Journal of Solid State and Inorganic Chemistry","1994","31","","409","422","","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.1866","","","","","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030660","10.23","0.007","10.23","0.007","10.23","0.007","90","","90","","90","","1070.6","1.3","","","293","","","","","","","","","3","I 2 3","I 2 2 3","197","","","","- Bi24 Mn2 O40 -","- Bi24 Mn2 O40 -","- Bi24 Mn2 O40 -","1","0.0416667","","Rangavittal, N; Guru Row, T. N.; Rao, C. N. R.","A study of cubic bismuth oxides of the type Bi(26-x)MxO(40-delta) (M = Ti, Mn, Fe, Co, Ni or Pb) related to gamma-Bi2O3","European Journal of Solid State and Inorganic Chemistry","1994","31","","409","422","","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.109","","","","","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030661","10.21","0.005","10.21","0.005","10.21","0.005","90","","90","","90","","1064.3","0.9","","","293","","","","","","","","","3","I 2 3","I 2 2 3","197","","","","- Bi25 Fe O40 -","- Bi25.04 Fe0.84 O40 -","- Bi25.04 Fe0.84 O40 -","1","0.0416667","","Rangavittal, N; Guru Row, T. N.; Rao, C. N. R.","A study of cubic bismuth oxides of the type Bi(26-x)MxO(40-delta) (M = Ti, Mn, Fe, Co, Ni or Pb) related to gamma-Bi2O3","European Journal of Solid State and Inorganic Chemistry","1994","31","","409","422","","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0816","","","","","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030662","10.292","0.008","10.292","0.008","10.292","0.008","90","","90","","90","","1090.2","1.5","","","293","","","","","","","","","3","I 2 3","I 2 2 3","197","","","","- Bi24 O40 Pb2 -","- Bi24 O40 Pb2 -","- Bi24 O40 Pb2 -","1","0.0416667","","Rangavittal, N; Guru Row, T. N.; Rao, C. N. R.","A study of cubic bismuth oxides of the type Bi(26-x)MxO(40-delta) (M = Ti, Mn, Fe, Co, Ni or Pb) related to gamma-Bi2O3","European Journal of Solid State and Inorganic Chemistry","1994","31","","409","422","","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.1035","","","","","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030663","10.141","0.007","10.141","0.007","10.141","0.007","90","","90","","90","","1042.9","1.2","","","293","","","","","","","","","3","I 2 3","I 2 2 3","197","","","","- Bi19.6 Ni6.4 O40 -","- Bi19.68 Ni6.32 O40 -","- Bi19.68 Ni6.32 O40 -","1","0.0416667","","Rangavittal, N; Guru Row, T. N.; Rao, C. N. R.","A study of cubic bismuth oxides of the type Bi(26-x)MxO(40-delta) (M = Ti, Mn, Fe, Co, Ni or Pb) related to gamma-Bi2O3","European Journal of Solid State and Inorganic Chemistry","1994","31","","409","422","","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0957","","","","","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030664","10.215","0.001","10.215","0.001","10.215","0.001","90","","90","","90","","1065.9","0.18","","","293","","","","","","","","","3","I 2 3","I 2 2 3","197","","","","- Bi25 Co O40 -","- Bi24.96 Co O40 -","- Bi24.96 Co O40 -","1","0.0416667","","Rangavittal, N; Guru Row, T. N.; Rao, C. N. R.","A study of cubic bismuth oxides of the type Bi(26-x)MxO(40-delta) (M = Ti, Mn, Fe, Co, Ni or Pb) related to gamma-Bi2O3","European Journal of Solid State and Inorganic Chemistry","1994","31","","409","422","","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0503","","","","","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030665","10.217","0.001","10.217","0.001","10.217","0.001","90","","90","","90","","1066.52","0.18","","","293","","","","","","","","","3","I 2 3","I 2 2 3","197","","","","- Bi23.6 Co1.8 O40 -","- Bi23.52 Co1.8 O40 -","- Bi23.52 Co1.8 O40 -","1","0.0416667","","Rangavittal, N; Guru Row, T. N.; Rao, C. N. R.","A study of cubic bismuth oxides of the type Bi(26-x)MxO(40-delta) (M = Ti, Mn, Fe, Co, Ni or Pb) related to gamma-Bi2O3","European Journal of Solid State and Inorganic Chemistry","1994","31","","409","422","","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0826","","","","","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030666","10.21","0.001","10.21","0.001","10.21","0.001","90","","90","","90","","1064.33","0.18","","","293","","","","","","","","","3","I 2 3","I 2 2 3","197","","","","- Bi19.7 Co6.2 O40 -","- Bi19.68 Co6.2 O40 -","- Bi19.68 Co6.2 O40 -","1","0.0416667","","Rangavittal, N; Guru Row, T. N.; Rao, C. N. R.","A study of cubic bismuth oxides of the type Bi(26-x)MxO(40-delta) (M = Ti, Mn, Fe, Co, Ni or Pb) related to gamma-Bi2O3","European Journal of Solid State and Inorganic Chemistry","1994","31","","409","422","","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.1001","","","","","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4084087","25.1228","0.0008","25.1228","0.0008","25.1228","0.0008","90","","90","","90","","15856.4","0.9","293","2","293","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C75 H99 Al3 Cl6 O12 -","- C75 H99 Al3 Cl6 O12 -","- C600 H792 Al24 Cl48 O96 -","8","0.333333","","Chen, Huei-Ling; Ko, Bao-Tsan; Huang, Bor-Hunn; Lin, Chu-Chieh","Reactions of 2,2‘-Methylenebis(4-chloro-6-isopropyl-3-methylphenol) with Trimethylaluminum: Highly Efficient Catalysts for the Ring-Opening Polymerization of Lactones","Organometallics","2001","20","24","5076","","10.1021/om010425+","","","0.71073","MoKα","","0.0535","0.0442","","","0.1266","0.135","","","","","","1.049","","","","has coordinates","270822","2021-11-23","08:35:15",""
"4103012","13.3724","0.0003","13.3724","0.0003","13.3724","0.0003","90","","90","","90","","2391.27","0.09","298","2","298","2","","","","","","","","3","I 2 3","I 2 2 3","197","","","","- Cs18 O6 Tl8 -","- Cs18 O6 Tl8 -","- Cs36 O12 Tl16 -","2","0.0833333","","Ulrich Wedig; Vyacheslav Saltykov; Jürgen Nuss; Martin Jansen","Homoatomic Stella Quadrangula [Tl8]6- in Cs18Tl8O6, Interplay of Spin-Orbit Coupling, and Jahn-Teller Distortion","Journal of the American Chemical Society","2010","132","","12458","12463","10.1021/ja1051022","","x-ray","0.71073","MoKα","","0.0299","0.0248","","","0.0519","0.0536","","","","","","1.098","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4104653","20.745","0.003","20.745","0.003","20.745","0.003","90","","90","","90","","8928","2","190","2","190","2","","","","","","","","6","I 2 3","I 2 2 3","197","","tris(<i>N</i>,<i>N</i>-dimethyl-<i>N'</i>,<i>N''</i>- diphenylguanidinato-κ^2^<i>N'</i>,<i>N''</i>)iridium(IV) hexafluorophosphate","","- C45 H48 F6 Ir N9 P -","- C45 H48 F6 Ir N9 P -","- C360 H384 F48 Ir8 N72 P8 -","8","0.333333","","Jan-Uwe Rohde; Wei-Tsung Lee","Stabilization of Iridium(IV) by Monoanionic Dialkyldiarylguanidinato Ligands","Journal of the American Chemical Society","2009","131","","9162","9163","10.1021/ja9033445","","","0.71073","MoKα","","0.0403","0.0312","","","0.0639","0.0674","","","","","","1.126","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4110128","19.8783","0.0001","19.8783","0.0001","19.8783","0.0001","90","","90","","90","","7854.85","0.07","100","2","100","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C31 H42 Mg2 N2 O18 -","- C30 H39 Mg2 O15 -","- C240 H312 Mg16 O120 -","8","0.333333","","Jeffrey A. Rood; William C. Boggess; Bruce C. Noll; Kenneth W. Henderson","Assembly of a Homochiral, Body-Centered Cubic Network Composed of Vertex-Shared Mg12 Cages: Use of Electrospray Ionization Mass Spectrometry to Monitor Metal Carboxylate Nucleation","Journal of the American Chemical Society","2007","129","","13675","13682","10.1021/ja074558j","","","1.54178","CuKα","","0.0578","0.0571","","","0.1686","0.1694","","","","","","1.054","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111488","25.1483","0.001","25.1483","0.001","25.1483","0.001","90","","90","","90","","15904.7","1.1","100","2","100","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C54 H96 N3 O19.5 Sn3 -","- C54 H87 N3 O19.5 Sn3 -","- C432 H696 N24 O156 Sn24 -","8","0.333333","","Reyes García-Zarracino; Herbert Höpfl","Self-Assembly of Diorganotin(IV) Oxides (R = Me,nBu, Ph) and 2,5-Pyridinedicarboxylic Acid to Polymeric and Trinuclear Macrocyclic Hybrids with Porous Solid-State Structures: Influence of Substituents and Solvent on the Supramolecular Structure","Journal of the American Chemical Society","2005","127","","3120","3130","10.1021/ja0437095","","","0.71073","MoKα","","0.093","0.0916","","","0.2275","0.2285","","","","","","1.28","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113335","26.0844","0.0007","26.0844","0.0007","26.0844","0.0007","90","","90","","90","","17747.7","0.8","140","2","140","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C90 H117 N9 O6 Rh3 -","- C90 H117 N9 O6 Rh3 -","- C720 H936 N72 O48 Rh24 -","8","0.333333","","Zacharias Grote; Rosario Scopelliti; Kay Severin","pH-Triggered Assembly of Organometallic Receptors for Lithium Ions","Journal of the American Chemical Society","2004","126","","16959","16972","10.1021/ja044874n","","","0.71073","MoKα","","0.029","0.0265","","","0.0648","0.0656","","","","","","1.11","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4117027","20.636","0.002","20.636","0.002","20.636","0.002","90","","90","","90","","8787.7","1.5","173","2","173","2","","","","","","","","7","I 2 3","I 2 2 3","197","","","","- C42 H64 B F4 N3 O7 Zn -","- C42 H63.99 B F4 N3 O7 Zn -","- C336 H511.92 B8 F32 N24 O56 Zn8 -","8","0.333333","","Achim Sokolowski; Jochen Müller; Thomas Weyhermüller; Robert Schnepf; Peter Hildebrandt; Knut Hildenbrand; Eberhard Bothe; Karl Wieghardt","Phenoxyl Radical Complexes of Zinc(II)","Journal of the American Chemical Society","1997","119","","8889","8900","10.1021/ja970417d","","","0.71073","MoKα","","0.0385","0.0352","","0.1065","0.0974","","","","1.055","1.054","1.054","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4120078","19.7269","0.0004","19.7269","0.0004","19.7269","0.0004","90","","90","","90","","7676.7","0.3","100","2","100","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C139 H122 Br12 Cl14 N12 O12 -","- C139 H121.92 Br12 Cl14.04 N12 O12 -","- C278 H243.84 Br24 Cl28.08 N24 O24 -","2","0.0833333","","Jamie L. Culshaw; Ge Cheng; Marc Schmidtmann; Tom Hasell; Ming Liu; Dave J. Adams; Andrew I. Cooper","Dodecaamide Cages: Organic 12-Arm Building Blocks for Supramolecular Chemistry","Journal of the American Chemical Society","2013","135","","10007","10010","10.1021/ja403987j","","","0.71073","MoKα","","0.0633","0.0587","","","0.1619","0.1667","","","","","","1.041","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4121558","23.95","0.003","23.95","0.003","23.95","0.003","90","","90","","90","","13738","3","293","2","293","2","","","","","","","","7","I 2 3","I 2 2 3","197","","","","- Co16 H116 Na32 O216 P4 Si4 W36 -","- Co16 Na18 O216 P4 Si4 W36 -","- Co32 Na36 O432 P8 Si8 W72 -","2","0.0833333","","Han, Xin-Bao; Zhang, Zhi-Ming; Zhang, Teng; Li, Yang-Guang; Lin, Wenbin; You, Wansheng; Su, Zhong-Min; Wang, En-Bo","Polyoxometalate-based cobalt-phosphate molecular catalysts for visible light-driven water oxidation.","Journal of the American Chemical Society","2014","136","14","5359","5366","10.1021/ja412886e","","","0.71073","MoKα","","0.0679","0.0516","","","0.1183","0.1267","","","","","","0.904","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121561","23.924","0.003","23.924","0.003","23.924","0.003","90","","90","","90","","13693","3","293","2","293","2","","","","","","","","7","I 2 3","I 2 2 3","197","","","","- Co16 Ge4 H240 Na32 O278 P4 W36 -","- Co16 Ge4 Na32.04 O278 P4 W36 -","- Co32 Ge8 Na64.08 O556 P8 W72 -","2","0.0833333","","Han, Xin-Bao; Zhang, Zhi-Ming; Zhang, Teng; Li, Yang-Guang; Lin, Wenbin; You, Wansheng; Su, Zhong-Min; Wang, En-Bo","Polyoxometalate-based cobalt-phosphate molecular catalysts for visible light-driven water oxidation.","Journal of the American Chemical Society","2014","136","14","5359","5366","10.1021/ja412886e","","","0.71073","MoKα","","0.1558","0.1507","","","0.3676","0.3699","","","","","","1.111","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121856","26.7977","0.0013","26.7977","0.0013","26.7977","0.0013","90","","90","","90","","19243.9","1.6","143","1","143","1","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C75 H78 La N9 O6 -","- C75 H78 La N9 O6 -","- C600 H624 La8 N72 O48 -","8","0.333333","","Robinson, Jerome R.; Fan, Xinyuan; Yadav, Jagjit; Carroll, Patrick J.; Wooten, Alfred J.; Pericàs, Miquel A; Schelter, Eric J.; Walsh, Patrick J.","Air- and Water-Tolerant Rare Earth Guanidinium BINOLate Complexes as Practical Precatalysts in Multifunctional Asymmetric Catalysis.","Journal of the American Chemical Society","2014","136","22","8034","","10.1021/ja502568g","","","0.71073","MoKα","","0.0294","0.027","","","0.072","0.073","","","","","","1.038","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121858","26.5809","0.0008","26.5809","0.0008","26.5809","0.0008","90","","90","","90","","18780.6","1","143","1","143","1","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C75 H78 N9 O6 Y -","- C75 H78 N9 O6 Y -","- C600 H624 N72 O48 Y8 -","8","0.333333","","Robinson, Jerome R.; Fan, Xinyuan; Yadav, Jagjit; Carroll, Patrick J.; Wooten, Alfred J.; Pericàs, Miquel A; Schelter, Eric J.; Walsh, Patrick J.","Air- and Water-Tolerant Rare Earth Guanidinium BINOLate Complexes as Practical Precatalysts in Multifunctional Asymmetric Catalysis.","Journal of the American Chemical Society","2014","136","22","8034","","10.1021/ja502568g","","","0.71073","MoKα","","0.052","0.0479","","","0.1349","0.1381","","","","","","1.051","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121859","26.5542","0.001","26.5542","0.001","26.5542","0.001","90","","90","","90","","18724","1.2","100","1","100","1","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C78 H84 Cl6 N9 O6 Yb -","- C78 H84 Cl6 N9 O6 Yb -","- C624 H672 Cl48 N72 O48 Yb8 -","8","0.333333","","Robinson, Jerome R.; Fan, Xinyuan; Yadav, Jagjit; Carroll, Patrick J.; Wooten, Alfred J.; Pericàs, Miquel A; Schelter, Eric J.; Walsh, Patrick J.","Air- and Water-Tolerant Rare Earth Guanidinium BINOLate Complexes as Practical Precatalysts in Multifunctional Asymmetric Catalysis.","Journal of the American Chemical Society","2014","136","22","8034","","10.1021/ja502568g","","","0.71073","MoKα","","0.0455","0.0429","","","0.121","0.1249","","","","","","0.792","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4122731","22.7502","0.0009","22.7502","0.0009","22.7502","0.0009","90","","90","","90","","11774.9","0.8","100","2","100","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C168 H144 Fe4 N48 O16 S4 -","- C168 H144 Fe4 N48 -","- C336 H288 Fe8 N96 -","2","0.0833333","","Bolliger, Jeanne L.; Ronson, Tanya K.; Ogawa, Masahiro; Nitschke, Jonathan R.","Solvent Effects upon Guest Binding and Dynamics of a Fe(II)4L4 Cage.","Journal of the American Chemical Society","2014","136","41","14545","","10.1021/ja5077102","","","0.71073","MoKα","","0.0971","0.0802","","","0.213","0.2288","","","","","","1.047","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4125669","38.267","0.003","38.267","0.003","38.267","0.003","90","","90","","90","","56037","8","150","2","150","2","","","","","","","","6","I 2 3","I 2 2 3","197","","Na2[CB7@adm]3I5.57H2O","","- C165 H311.5 I5 N87 Na2 O98.75 -","- C165 H198 I4.953 N87 Na2 O90.532 -","- C1320 H1584 I39.624 N696 Na16 O724.256 -","8","0.333333","","Sigwalt, David; Šekutor, Marina; Cao, Liping; Zavalij, Peter Y.; Hostaš, Jiří; Ajani, Haresh; Hobza, Pavel; Mlinarić-Majerski, Kata; Glaser, Robert; Isaacs, Lyle","Unraveling the Structure-Affinity Relationship between Cucurbit[n]urils (n = 7, 8) and Cationic Diamondoids.","Journal of the American Chemical Society","2017","139","8","3249","3258","10.1021/jacs.7b00056","","","0.71073","MoKα","","0.0832","0.0666","","","0.1525","0.1618","","","","","","1.145","","","","has coordinates,has disorder","193066","2020-10-21","18:00:00",""
"4126694","33.97003","0.00008","33.97003","0.00008","33.97003","0.00008","90","","90","","90","","39200.2","0.16","273","2","273","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C147 H100.5 Cl N4.5 O36 Zr4 -","- C147 H100.5 Cl N4.5 O36 Zr3.9999 -","- C1176 H804 Cl8 N36 O288 Zr31.9992 -","8","0.333333","","He, Yan-Ping; Yuan, Lv-Bing; Chen, Guang-Hui; Lin, Qi-Pu; Wang, Fei; Zhang, Lei; Zhang, Jian","Water Soluble and Ultra-Stable Ti4L6 Tetrahedron with Coordination Assembly Function.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09463","","","1.54178","CuKα","","0.0434","0.0399","","","0.1134","0.1167","","","","","","1.054","","","","has coordinates","202907","2020-10-21","18:00:00",""
"4126695","33.3817","0.0002","33.3817","0.0002","33.3817","0.0002","90","","90","","90","","37198.5","0.4","273","2","273","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C150 H103.5 Cl N4.5 O39 Ti4 -","- C150 H103.5 Cl N4.5 O39 Ti4 -","- C1200 H828 Cl8 N36 O312 Ti32 -","8","0.333333","","He, Yan-Ping; Yuan, Lv-Bing; Chen, Guang-Hui; Lin, Qi-Pu; Wang, Fei; Zhang, Lei; Zhang, Jian","Water Soluble and Ultra-Stable Ti4L6 Tetrahedron with Coordination Assembly Function.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09463","","","1.54178","CuKα","","0.0596","0.0585","","","0.1684","0.1701","","","","","","1.068","","","","has coordinates","202908","2020-10-21","18:00:00",""
"4126699","33.4281","0.0004","33.4281","0.0004","33.4281","0.0004","90","","90","","90","","37353.8","0.8","273","2","273","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C147 H100.5 Cl Hf4 N4.5 O36 -","- C147 H100.5 Cl Hf4 N4.5 O36 -","- C1176 H804 Cl8 Hf32 N36 O288 -","8","0.333333","","He, Yan-Ping; Yuan, Lv-Bing; Chen, Guang-Hui; Lin, Qi-Pu; Wang, Fei; Zhang, Lei; Zhang, Jian","Water Soluble and Ultra-Stable Ti4L6 Tetrahedron with Coordination Assembly Function.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09463","","","0.71073","MoKα","","0.0398","0.0378","","","0.1147","0.1187","","","","","","1.097","","","","has coordinates","202912","2020-10-21","18:00:00",""
"4131760","52.0957","0.0008","52.0957","0.0008","52.0957","0.0008","90","","90","","90","","141386","4","100","0.1","100","0.1","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C468 Ag78 F126 P12 S42 -","- C468 Ag78 F126 P12 S42 -","- C3744 Ag624 F1008 P96 S336 -","8","0.333333","","Yang, Huayan; Yan, Juanzhu; Wang, Yu; Deng, Guocheng; Su, Haifeng; Zhao, Xiaojing; Xu, Chaofa; Teo, Boon K.; Zheng, Nanfeng","From Racemic Metal Nanoparticles to Optically Pure Enantiomers in One Pot.","Journal of the American Chemical Society","2017","139","45","16113","16116","10.1021/jacs.7b10448","","x-ray","1.54184","CuKα","","0.1594","0.1029","","","0.2785","0.3434","","","","","","1.01","","","","has coordinates","241928","2020-10-21","18:00:00",""
"4131762","51.7906","0.0004","51.7906","0.0004","51.7906","0.0004","90","","90","","90","","138916","1.9","119.99","0.1","119.99","0.1","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C468 H348 Ag78 F126 P12 S42 -","- C468 H348 Ag78 F126 P12 S42 -","- C3744 H2784 Ag624 F1008 P96 S336 -","8","0.333333","","Yang, Huayan; Yan, Juanzhu; Wang, Yu; Deng, Guocheng; Su, Haifeng; Zhao, Xiaojing; Xu, Chaofa; Teo, Boon K.; Zheng, Nanfeng","From Racemic Metal Nanoparticles to Optically Pure Enantiomers in One Pot.","Journal of the American Chemical Society","2017","139","45","16113","16116","10.1021/jacs.7b10448","","x-ray","1.54184","CuKα","","0.0902","0.0615","","","0.1749","0.2142","","","","","","0.914","","","","has coordinates","241930","2020-10-21","18:00:00",""
"4300012","24.413","0.003","24.413","0.003","24.413","0.003","90","","90","","90","","14550","3","296.2","","296.2","","","","","","","","","8","I 2 3","I 2 2 3","197","","","","- C63 H60 Br Cu3 F12 N9 O3 P2 -","- C62.94 H54 Br0.33 Cu3 F12.06 N9 O3 P2.01 -","- C503.52 H432 Br2.64 Cu24 F96.48 N72 O24 P16.08 -","8","0.333333","","Masahito Kodera; Yoshimitsu Tachi; Toshio Kita; Hiromu Kobushi; Yoshinori Sumi; Koji Kano; Motoo Shiro; Masayuki Koikawa; Tadashi Tokii; Masaaki Ohba; Hisashi Okawa","A Cu(II)-Mediated C-H Oxygenation of Sterically Hindered Tripyridine Ligands To Form Triangular Cu(II)3 Complexes","Inorganic Chemistry","2000","39","","226","234","10.1021/ic990331g","","","1.5418","CuKα","","","0.068","","","0.0982","","","","","1.275","1.275","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300013","24.433","0.003","24.4328","","24.4328","","90","","90","","90","","14585.6","1.8","293.2","","293.2","","","","","","","","","8","I 2 3","I 2 2 3","197","","","","- C63 H60 Cl Cu3 F12 N9 O3 P2 -","- C62.01 H54 Cl0.33 Cu3 F11.2 N9 O3 P0.92 -","- C496.08 H432 Cl2.64 Cu24 F89.6 N72 O24 P7.36 -","8","0.333333","","Masahito Kodera; Yoshimitsu Tachi; Toshio Kita; Hiromu Kobushi; Yoshinori Sumi; Koji Kano; Motoo Shiro; Masayuki Koikawa; Tadashi Tokii; Masaaki Ohba; Hisashi Okawa","A Cu(II)-Mediated C-H Oxygenation of Sterically Hindered Tripyridine Ligands To Form Triangular Cu(II)3 Complexes","Inorganic Chemistry","2000","39","","226","234","10.1021/ic990331g","","","0.7107","MoKα","","","0.076","","","0.0902","","","","","1.398","1.398","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300015","24.177","0.003","24.1765","","24.1765","","90","","90","","90","","14131.5","1.8","293.2","","293.2","","","","","","","","","8","I 2 3","I 2 2 3","197","","","","- C60 H54 Cl Cu3 F12 N9 O3 P2 -","- C59.01 H48 Cl0.33 Cu3 F10.65 N9 O3 P0.92 -","- C472.08 H384 Cl2.64 Cu24 F85.2 N72 O24 P7.36 -","8","0.333333","","Masahito Kodera; Yoshimitsu Tachi; Toshio Kita; Hiromu Kobushi; Yoshinori Sumi; Koji Kano; Motoo Shiro; Masayuki Koikawa; Tadashi Tokii; Masaaki Ohba; Hisashi Okawa","A Cu(II)-Mediated C-H Oxygenation of Sterically Hindered Tripyridine Ligands To Form Triangular Cu(II)3 Complexes","Inorganic Chemistry","2000","39","","226","234","10.1021/ic990331g","","","0.7107","MoKα","","","0.0716","","","0.085","","","","","2.12","2.12","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300074","41.691","0.0004","41.691","0.0004","41.691","0.0004","90","","90","","90","","72464.8","1.2","173","2","173","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C138 Mo96 N12 O328 P11 -","- C138 Mo96 N12 O328 P11 -","- C552 Mo384 N48 O1312 P44 -","4","0.166667","","Ulrich Kortz","Polyoxometalate-Diphosphate Complexes. 5.1 Cigar-Shaped 30-Molybdobispyrophosphate: Structure of (N(C4H9)4)2H9[{(P2O7)Mo15O45}2][PMo12O40]","Inorganic Chemistry","2000","39","","623","624","10.1021/ic9907258","","","0.71073","MoKα","","0.0912","0.0848","","","0.2415","0.2485","","","","","","1.181","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4305739","15.9737","0.0004","15.9737","0.0004","15.9737","0.0004","90","","90","","90","","4075.83","0.18","298","2","298","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C60 H51 Cu19 I4 N12 S15 -","- C60 H48 Cu19 I4 N12 S15 -","- C120 H96 Cu38 I8 N24 S30 -","2","0.0833333","","Zheng-Ming Hao; Rui-Qin Fang; Hai-Shun Wu; Xian-Ming Zhang","Cu6S4 Cluster Based Twelve-Connected Face-Centered Cubic and Cu19I4S12 Cluster Based Fourteen-Connected Body-Centered Cubic Topological Coordination Polymers","Inorganic Chemistry","2008","47","","8197","8203","10.1021/ic800709w","","","0.71073","MoKα","","0.0377","0.0366","","","0.0904","0.0912","","","","","","1.121","","","","has coordinates","179095","2020-10-21","18:00:00",""
"4315383","25.7712","0.0011","25.7712","0.0011","25.7712","0.0011","90","","90","","90","","17116.1","1.3","150","2","150","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C40 H62 Ag2 F12 N16 P2 -","- C40 H62 Ag2 F10 N16 P1.66667 -","- C480 H744 Ag24 F120 N192 P20 -","12","0.5","","M. Pilar Carranza; Blanca R. Manzano; Félix A. Jalón; Ana M. Rodríguez; Lucía Santos; Miquel Moreno","First Examples of a Modulated Bridging μ2-1:2κ N-Triazine in Double Helical Silver Compounds. Experimental and Theoretical Evidence","Inorganic Chemistry","2010","49","","3828","3835","10.1021/ic902563d","","","0.71073","MoKα","","0.0843","0.0598","","","0.174","0.186","","","","","","0.97","","","","has coordinates","179233","2020-10-21","18:00:00",""
"4315622","16.6987","0.0002","16.6987","0.0002","16.6987","0.0002","90","","90","","90","","4656.38","0.1","193","2","193","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C10 H44 B6 N3 O U -","- C9.96 H43.92 B6 N3 O U -","- C79.68 H351.36 B48 N24 O8 U8 -","8","0.333333","","Scott R. Daly; Gregory S. Girolami","Synthesis, Characterization, and Structures of Uranium(III) N,N-Dimethylaminodiboranates","Inorganic Chemistry","2010","49","","5157","5166","10.1021/ic100290j","","","0.71073","MoKα","","0.016","0.0144","","","0.0329","0.0332","","","","","","1.024","","","","has coordinates,has disorder","179236","2020-10-21","18:00:00",""
"4316567","16.6897","0.0007","16.6897","0.0007","16.6897","0.0007","90","","90","","90","","4648.9","0.3","100","2","100","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C12 H40 N4 O41 U6 -","- C12 O32 U6 -","- C48 O128 U24 -","4","0.166667","","Clare E. Rowland; Christopher L. Cahill","Capturing Hydrolysis Products in the Solid State: Effects of pH on Uranyl Squarates under Ambient Conditions","Inorganic Chemistry","2010","49","","8668","8673","10.1021/ic1000792","","","0.71073","MoKα","","0.024","0.0232","","","0.0781","0.0784","","","","","","1.239","","","","has coordinates","179245","2020-10-21","18:00:00",""
"4324734","26.05","0.002","26.05","0.002","26.05","0.002","90","","90","","90","","17678","2","173","2","173","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C59 H69 Mn9 N6 O28 -","- C59.01 H69.03 Mn9 N6 O28 -","- C472.08 H552.24 Mn72 N48 O224 -","8","0.333333","","Suna Wang; Lingqian Kong; Hua Yang; Zhoutong He; Zheng Jiang; Dacheng Li; Suyuan Zeng; Meiju Niu; You Song; Jianmin Dou","A Novel 9-MC-3 and 15-MC-6 Onset Stacked Metallacrown Single-Molecule Magnet: Synthesis and Crystal Structure","Inorganic Chemistry","2011","50","","2705","2707","10.1021/ic101622d","","","0.71073","MoKα","","0.0592","0.0441","","","0.1043","0.108","","","","","","1.097","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4327874","25.946","0.002","25.946","0.002","25.946","0.002","90","","90","","90","","17467","2","153","2","153","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C70.5 H75 Cl3 Eu N9 O7.5 -","- C70.5 H69 Cl3 Eu N9 O7.5 -","- C564 H552 Cl24 Eu8 N72 O60 -","8","0.333333","","KimNgan T. Hua; Jide Xu; Eliseo E. Quiroz; Sabrina Lopez; Andrew J. Ingram; Victoria Anne Johnson; Angela R. Tisch; Ana de Bettencourt-Dias; Daniel A. Straus; Gilles Muller","Structural and Photophysical Properties of Visible- and Near-IR-Emitting Tris Lanthanide(III) Complexes Formed with the Enantiomers of N,N'-Bis(1-phenylethyl)-2,6-pyridinedicarboxamide","Inorganic Chemistry","2012","51","","647","660","10.1021/ic202094p","","","0.71073","MoKα","","0.0311","0.0298","","","0.0834","0.0847","","","","","","1.079","","","","has coordinates,has disorder","179381","2020-10-21","18:00:00",""
"4327875","25.965","","25.965","","25.965","","90","","90","","90","","17505.1","","147","2","147","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C70.88 H76.5 Cl3 Eu N9 O7.88 -","- C70.88 H73.5 Cl3 Eu N9 O7.88 -","- C567.04 H588 Cl24 Eu8 N72 O63.04 -","8","0.333333","","KimNgan T. Hua; Jide Xu; Eliseo E. Quiroz; Sabrina Lopez; Andrew J. Ingram; Victoria Anne Johnson; Angela R. Tisch; Ana de Bettencourt-Dias; Daniel A. Straus; Gilles Muller","Structural and Photophysical Properties of Visible- and Near-IR-Emitting Tris Lanthanide(III) Complexes Formed with the Enantiomers of N,N'-Bis(1-phenylethyl)-2,6-pyridinedicarboxamide","Inorganic Chemistry","2012","51","","647","660","10.1021/ic202094p","","","0.71073","MoKα","","0.0338","0.0297","","","0.0816","0.084","","","","","","1.136","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4327876","25.967","","25.967","","25.967","","90","","90","","90","","17509.2","","151","2","151","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C70.88 H76.5 Cl3 Gd N9 O7.88 -","- C70.89 H73.5 Cl3 Gd N9 O7.88 -","- C567.12 H588 Cl24 Gd8 N72 O63.04 -","8","0.333333","","KimNgan T. Hua; Jide Xu; Eliseo E. Quiroz; Sabrina Lopez; Andrew J. Ingram; Victoria Anne Johnson; Angela R. Tisch; Ana de Bettencourt-Dias; Daniel A. Straus; Gilles Muller","Structural and Photophysical Properties of Visible- and Near-IR-Emitting Tris Lanthanide(III) Complexes Formed with the Enantiomers of N,N'-Bis(1-phenylethyl)-2,6-pyridinedicarboxamide","Inorganic Chemistry","2012","51","","647","660","10.1021/ic202094p","","","0.71073","MoKα","","0.0289","0.0271","","","0.0734","0.0747","","","","","","1.115","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4327877","25.955","","25.955","","25.955","","90","","90","","90","","17484.9","","143","2","143","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C70.88 H76.5 Cl3 Gd N9 O7.88 -","- C70.88 H73.5 Cl3 Gd N9 O7.88 -","- C567.04 H588 Cl24 Gd8 N72 O63.04 -","8","0.333333","","KimNgan T. Hua; Jide Xu; Eliseo E. Quiroz; Sabrina Lopez; Andrew J. Ingram; Victoria Anne Johnson; Angela R. Tisch; Ana de Bettencourt-Dias; Daniel A. Straus; Gilles Muller","Structural and Photophysical Properties of Visible- and Near-IR-Emitting Tris Lanthanide(III) Complexes Formed with the Enantiomers of N,N'-Bis(1-phenylethyl)-2,6-pyridinedicarboxamide","Inorganic Chemistry","2012","51","","647","660","10.1021/ic202094p","","","0.71073","MoKα","","0.034","0.031","","","0.0787","0.0805","","","","","","1.095","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4327878","25.938","","25.938","","25.938","","90","","90","","90","","17450.6","","151","2","151","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C70.5 H76.25 Cl3 N9 O7.5 Tb -","- C70.5 H69 Cl3 N9 O7.5 Tb -","- C564 H552 Cl24 N72 O60 Tb8 -","8","0.333333","","KimNgan T. Hua; Jide Xu; Eliseo E. Quiroz; Sabrina Lopez; Andrew J. Ingram; Victoria Anne Johnson; Angela R. Tisch; Ana de Bettencourt-Dias; Daniel A. Straus; Gilles Muller","Structural and Photophysical Properties of Visible- and Near-IR-Emitting Tris Lanthanide(III) Complexes Formed with the Enantiomers of N,N'-Bis(1-phenylethyl)-2,6-pyridinedicarboxamide","Inorganic Chemistry","2012","51","","647","660","10.1021/ic202094p","","","0.71073","MoKα","","0.0223","0.0219","","","0.0597","0.0603","","","","","","1.119","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4327879","25.942","","25.942","","25.942","","90","","90","","90","","17458.6","","151","2","151","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C71.5 H79 Cl3 N9 O8.5 Tb -","- C70.88 H73.5 Cl3 N9 O7.88 Tb -","- C567.04 H588 Cl24 N72 O63.04 Tb8 -","8","0.333333","","KimNgan T. Hua; Jide Xu; Eliseo E. Quiroz; Sabrina Lopez; Andrew J. Ingram; Victoria Anne Johnson; Angela R. Tisch; Ana de Bettencourt-Dias; Daniel A. Straus; Gilles Muller","Structural and Photophysical Properties of Visible- and Near-IR-Emitting Tris Lanthanide(III) Complexes Formed with the Enantiomers of N,N'-Bis(1-phenylethyl)-2,6-pyridinedicarboxamide","Inorganic Chemistry","2012","51","","647","660","10.1021/ic202094p","","","0.71073","MoKα","","0.0234","0.0227","","","0.0637","0.0642","","","","","","1.15","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4327880","25.839","","25.839","","25.839","","90","","90","","90","","17251.5","","147","2","147","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C70.5 H75.75 Cl3 N9 O7.88 Yb -","- C70.5 H73.5 Cl3 N9 O7.88 Yb -","- C564 H588 Cl24 N72 O63.04 Yb8 -","8","0.333333","","KimNgan T. Hua; Jide Xu; Eliseo E. Quiroz; Sabrina Lopez; Andrew J. Ingram; Victoria Anne Johnson; Angela R. Tisch; Ana de Bettencourt-Dias; Daniel A. Straus; Gilles Muller","Structural and Photophysical Properties of Visible- and Near-IR-Emitting Tris Lanthanide(III) Complexes Formed with the Enantiomers of N,N'-Bis(1-phenylethyl)-2,6-pyridinedicarboxamide","Inorganic Chemistry","2012","51","","647","660","10.1021/ic202094p","","","0.71073","MoKα","","0.0319","0.0292","","","0.0787","0.0805","","","","","","1.099","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4327881","25.849","","25.849","","25.849","","90","","90","","90","","17271.5","","131","2","131","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C71.5 H79 Cl3 N9 O8.5 Yb -","- C71.25 H73.5 Cl3 N9 O8.25 Yb -","- C570 H588 Cl24 N72 O66 Yb8 -","8","0.333333","","KimNgan T. Hua; Jide Xu; Eliseo E. Quiroz; Sabrina Lopez; Andrew J. Ingram; Victoria Anne Johnson; Angela R. Tisch; Ana de Bettencourt-Dias; Daniel A. Straus; Gilles Muller","Structural and Photophysical Properties of Visible- and Near-IR-Emitting Tris Lanthanide(III) Complexes Formed with the Enantiomers of N,N'-Bis(1-phenylethyl)-2,6-pyridinedicarboxamide","Inorganic Chemistry","2012","51","","647","660","10.1021/ic202094p","","","0.71073","MoKα","","0.0197","0.0193","","","0.0515","0.0517","","","","","","1.072","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4329141","22.76","0.002","22.76","0.002","22.76","0.002","90","","90","","90","","11790.1","1.8","100","2","100","2","","","","","","","synthesis as described","7","I 2 3","I 2 2 3","197","","2","","- C57 H57 Cl Co2 N3 O6 P3 -","- C57 H57 Cl Co2 N3 O6 P3 -","- C456 H456 Cl8 Co16 N24 O48 P24 -","8","0.333333","","John S. Maass; Matthias Zeller; Tanya M. Breault; Bart M. Bartlett; Hiroshi Sakiyama; Rudy L. Luck","Syntheses and Structures of Three Complexes of Formulas [L3Co(μ2-O2P(Bn)2)3CoL'][L""], Featuring Octahedral and Tetrahedral Cobalt(II) Geometries; Variable-Temperature Magnetic Susceptibility Measurement and Analysis on [(py)3Co(μ2-O2PBn2)3Co(py)][ClO4]","Inorganic Chemistry","2012","51","","4903","4905","10.1021/ic3004799","","x-ray","0.71069","MoKα","","0.1372","0.0804","","","0.211","0.2441","","","","","","1.115","","","","has coordinates,has disorder","179394","2020-10-21","18:00:00",""
"4329588","16.772","","16.772","0.005","16.772","","90","","90","","90","","4718","1.4","193","2","193","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C10 H44 B6 La N3 O -","- C9.96 H43.92 B6 La N3 O -","- C79.68 H351.36 B48 La8 N24 O8 -","8","0.333333","","Scott R. Daly; Do Young Kim; Gregory S. Girolami","Lanthanide N,N-Dimethylaminodiboranates as a New Class of Highly Volatile Chemical Vapor Deposition Precursors","Inorganic Chemistry","2012","51","","7050","7065","10.1021/ic201852j","","","0.71073","MoKα","","0.0765","0.0522","","","0.1014","0.1053","","","","","","0.856","","","","has coordinates,has disorder","179398","2020-10-21","18:00:00",""
"4329655","23.034","0.005","23.034","0.005","23.034","0.005","90","","90","","90","","12221","5","100","2","100","2","","","","","","","","4","I 2 3","I 2 2 3","197","","","","- C48 H42 O13 Zn4 -","- C48 H42 O13 Zn4 -","- C384 H336 O104 Zn32 -","8","0.333333","","Wojciech Bury; Iwona Justyniak; Daniel Prochowicz; Anna Rola-Noworyta; Janusz Lewiński","Oxozinc Carboxylate Complexes: A New Synthetic Approach and the Carboxylate Ligand Effect on the Noncovalent-Interactions-Driven Self-Assembly","Inorganic Chemistry","2012","51","","7410","7414","10.1021/ic300864n","","","0.71073","MoKα","","0.0677","0.0474","","","0.1116","0.1189","","","","","","1.102","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4337075","23.55","0.008","23.55","0.008","23.55","0.008","90","","90","","90","","13061","8","293","2","293","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C54 H18 N0 O41 Zn9 -","- C54 H18 O41 Zn9 -","- C216 H72 O164 Zn36 -","4","0.166667","","Gao, Junkuo; Ye, Kaiqi; Yang, Ling; Xiong, Wei-Wei; Ye, Ling; Wang, Yue; Zhang, Qichun","Growing Crystalline Zinc-1,3,5-benzenetricarboxylate Metal-Organic Frameworks in Different Surfactants.","Inorganic chemistry","2014","53","2","691","693","10.1021/ic402692p","","","0.71073","MoKα","","0.1043","0.0844","","","0.2301","0.2494","","","","","","1.115","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4341076","14.1407","0.0002","14.1407","0.0002","14.1407","0.0002","90","","90","","90","","2827.57","0.07","293","2","293","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C6 H12 N2 Ni O4 -","- C6 H12 N2 Ni O4 -","- C72 H144 N24 Ni12 O48 -","12","0.5","","Yang, E.; Wang, Lin; Wang, Fei; Lin, Qipu; Kang, Yao; Zhang, Jian","Zeolitic metal-organic frameworks based on amino Acid.","Inorganic chemistry","2014","53","19","10027","10029","10.1021/ic501556w","","","0.71073","MoKα","","0.048","0.037","","","0.0803","0.0885","","","","","","1.045","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341077","14.1165","0.0002","14.1165","0.0002","14.1165","0.0002","90","","90","","90","","2813.07","0.07","293","2","293","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C6 H12 N2 Ni O4 -","- C6 H12 N2 Ni O4 -","- C72 H144 N24 Ni12 O48 -","12","0.5","","Yang, E.; Wang, Lin; Wang, Fei; Lin, Qipu; Kang, Yao; Zhang, Jian","Zeolitic metal-organic frameworks based on amino Acid.","Inorganic chemistry","2014","53","19","10027","10029","10.1021/ic501556w","","","0.71073","MoKα","","0.0449","0.0344","","","0.0692","0.0776","","","","","","1.075","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4342104","18.1107","0.001","18.1107","0.001","18.1107","0.001","90","","90","","90","","5940.3","0.6","100","2","100","2","","","","","","","","4","I 2 3","I 2 2 3","197","","","","- B22 H32 La4 O55 -","- B22 La4 O55 -","- B44 La8 O110 -","2","0.0833333","","Parker, T. Gannon; Chown, Amanda L.; Beehler, Austin; Pubbi, Divya; Cross, Justin N.; Albrecht-Schmitt, Thomas E","Ionothermal Synthesis of Tetranuclear Borate Clusters Containing f- and p-Block Metals.","Inorganic chemistry","2015","54","2","570","575","10.1021/ic502461d","","","0.71073","MoKα","","0.0618","0.0615","","","0.177","0.1773","","","","","","1.187","","","","has coordinates,has disorder","179524","2020-10-21","18:00:00",""
"4342105","18.0294","0.0009","18.0294","0.0009","18.0294","0.0009","90","","90","","90","","5860.6","0.5","100","2","100","2","","","","","","","","4","I 2 3","I 2 2 3","197","","","","- B22 Ce4 H32 O55 -","- B22 Ce4 O55 -","- B44 Ce8 O110 -","2","0.0833333","","Parker, T. Gannon; Chown, Amanda L.; Beehler, Austin; Pubbi, Divya; Cross, Justin N.; Albrecht-Schmitt, Thomas E","Ionothermal Synthesis of Tetranuclear Borate Clusters Containing f- and p-Block Metals.","Inorganic chemistry","2015","54","2","570","575","10.1021/ic502461d","","","0.71073","MoKα","","0.058","0.0572","","","0.1581","0.1587","","","","","","1.097","","","","has coordinates,has disorder","179524","2020-10-21","18:00:00",""
"4342106","18.0098","0.0007","18.0098","0.0007","18.0098","0.0007","90","","90","","90","","5841.5","0.4","100","2","100","2","","","","","","","","4","I 2 3","I 2 2 3","197","","","","- B22 H32 O55 Pr4 -","- B22 O55 Pr4 -","- B44 O110 Pr8 -","2","0.0833333","","Parker, T. Gannon; Chown, Amanda L.; Beehler, Austin; Pubbi, Divya; Cross, Justin N.; Albrecht-Schmitt, Thomas E","Ionothermal Synthesis of Tetranuclear Borate Clusters Containing f- and p-Block Metals.","Inorganic chemistry","2015","54","2","570","575","10.1021/ic502461d","","","0.71073","MoKα","","0.0694","0.0652","","","0.1763","0.1783","","","","","","1.066","","","","has coordinates,has disorder","179524","2020-10-21","18:00:00",""
"4342107","18.0286","0.0008","18.0286","0.0008","18.0286","0.0008","90","","90","","90","","5859.8","0.5","100","2","100","2","","","","","","","","4","I 2 3","I 2 2 3","197","","","","- B22 H32 Nd4 O55 -","- B22 Nd4 O55 -","- B44 Nd8 O110 -","2","0.0833333","","Parker, T. Gannon; Chown, Amanda L.; Beehler, Austin; Pubbi, Divya; Cross, Justin N.; Albrecht-Schmitt, Thomas E","Ionothermal Synthesis of Tetranuclear Borate Clusters Containing f- and p-Block Metals.","Inorganic chemistry","2015","54","2","570","575","10.1021/ic502461d","","","0.71073","MoKα","","0.0575","0.0572","","","0.1599","0.1602","","","","","","1.088","","","","has coordinates,has disorder","179524","2020-10-21","18:00:00",""
"4342108","17.9574","0.0007","17.9574","0.0007","17.9574","0.0007","90","","90","","90","","5790.7","0.4","100","2","100","2","","","","","","","","4","I 2 3","I 2 2 3","197","","","","- B22 H32 O55 Sm4 -","- B22 O55 Sm4 -","- B44 O110 Sm8 -","2","0.0833333","","Parker, T. Gannon; Chown, Amanda L.; Beehler, Austin; Pubbi, Divya; Cross, Justin N.; Albrecht-Schmitt, Thomas E","Ionothermal Synthesis of Tetranuclear Borate Clusters Containing f- and p-Block Metals.","Inorganic chemistry","2015","54","2","570","575","10.1021/ic502461d","","","0.71073","MoKα","","0.0576","0.0567","","","0.1543","0.1549","","","","","","1.105","","","","has coordinates,has disorder","179524","2020-10-21","18:00:00",""
"4342109","17.8869","0.0008","17.8869","0.0008","17.8869","0.0008","90","","90","","90","","5722.8","0.4","100","2","100","2","","","","","","","","4","I 2 3","I 2 2 3","197","","","","- B22 Eu4 H32 O55 -","- B22 Eu4 O55 -","- B44 Eu8 O110 -","2","0.0833333","","Parker, T. Gannon; Chown, Amanda L.; Beehler, Austin; Pubbi, Divya; Cross, Justin N.; Albrecht-Schmitt, Thomas E","Ionothermal Synthesis of Tetranuclear Borate Clusters Containing f- and p-Block Metals.","Inorganic chemistry","2015","54","2","570","575","10.1021/ic502461d","","","0.71073","MoKα","","0.0646","0.0631","","","0.1755","0.1766","","","","","","1.065","","","","has coordinates,has disorder","179524","2020-10-21","18:00:00",""
"4342110","17.8931","0.0008","17.8931","0.0008","17.8931","0.0008","90","","90","","90","","5728.7","0.4","100","2","100","2","","","","","","","","4","I 2 3","I 2 2 3","197","","","","- B22 Gd4 H32 O55 -","- B22 Gd4 O55 -","- B44 Gd8 O110 -","2","0.0833333","","Parker, T. Gannon; Chown, Amanda L.; Beehler, Austin; Pubbi, Divya; Cross, Justin N.; Albrecht-Schmitt, Thomas E","Ionothermal Synthesis of Tetranuclear Borate Clusters Containing f- and p-Block Metals.","Inorganic chemistry","2015","54","2","570","575","10.1021/ic502461d","","","0.71073","MoKα","","0.0618","0.0604","","","0.1676","0.1689","","","","","","1.057","","","","has coordinates,has disorder","179524","2020-10-21","18:00:00",""
"4342111","17.8515","0.0012","17.8515","0.0012","17.8515","0.0012","90","","90","","90","","5688.8","0.7","100","2","100","2","","","","","","","","4","I 2 3","I 2 2 3","197","","","","- B22 H32 O55 Pu4 -","- B10 O36 Pu4 -","- B20 O72 Pu8 -","2","0.0833333","","Parker, T. Gannon; Chown, Amanda L.; Beehler, Austin; Pubbi, Divya; Cross, Justin N.; Albrecht-Schmitt, Thomas E","Ionothermal Synthesis of Tetranuclear Borate Clusters Containing f- and p-Block Metals.","Inorganic chemistry","2015","54","2","570","575","10.1021/ic502461d","","","0.71073","MoKα","","0.1305","0.1011","","","0.2551","0.2742","","","","","","0.997","","","","has coordinates,has disorder","179524","2020-10-21","18:00:00",""
"4342112","18.1158","0.0007","18.1158","0.0007","18.1158","0.0007","90","","90","","90","","5945.3","0.4","100","2","100","2","","","","","","","","4","I 2 3","I 2 2 3","197","","","","- B22 Bi4 H32 O55 -","- B22 Bi4 O55 -","- B44 Bi8 O110 -","2","0.0833333","","Parker, T. Gannon; Chown, Amanda L.; Beehler, Austin; Pubbi, Divya; Cross, Justin N.; Albrecht-Schmitt, Thomas E","Ionothermal Synthesis of Tetranuclear Borate Clusters Containing f- and p-Block Metals.","Inorganic chemistry","2015","54","2","570","575","10.1021/ic502461d","","","0.71073","MoKα","","0.1017","0.0938","","","0.2463","0.2533","","","","","","1.041","","","","has coordinates,has disorder","179524","2020-10-21","18:00:00",""
"4346234","13.17415","0.00005","13.17415","0.00005","13.17415","0.00005","90","","90","","90","","2286.48","0.015","100","0.1","100","0.1","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C24 H60 Mn4 P4 Te4 -","- C24 H60 Mn4 P4 Te4 -","- C48 H120 Mn8 P8 Te8 -","2","0.0833333","","Choi, Bonnie; Paley, Daniel W.; Siegrist, Theo; Steigerwald, Michael L.; Roy, Xavier","Ligand Control of Manganese Telluride Molecular Cluster Core Nuclearity.","Inorganic chemistry","2015","54","17","8348","8355","10.1021/acs.inorgchem.5b01020","","x-ray","0.71073","MoKα","","0.0125","0.0118","","","0.0284","0.0286","","","","","","1.194","","","","has coordinates","231674","2020-10-21","18:00:00",""
"4347240","14.076","0.0002","14.076","0.0002","14.076","0.0002","90","","90","","90","","2788.93","0.07","150","2","150","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C36 H84 Cu4 I4 Sb4 -","- C36 H84 Cu4 I4 Sb4 -","- C72 H168 Cu8 I8 Sb8 -","2","0.0833333","","Taylor, William V.; Soto, Ulysses H.; Lynch, Vincent M.; Rose, Michael J.","Antimony-Supported Cu4I4 Cuboid with Short Cu-Cu Bonds: Structural Premise for Near-Infrared Thermoluminescence.","Inorganic chemistry","2016","55","7","3206","3208","10.1021/acs.inorgchem.5b02933","","","1.54184","CuKα","","0.036","0.0345","","","0.0903","0.0913","","","","","","1.082","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4501518","13.7784","0.0002","13.7784","0.0002","13.7784","0.0002","90","","90","","90","","2615.75","0.07","296","2","296","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C24 H16 Li2 O14 Sn2 -","- C24 H16 Li2 O14 Sn2 -","- C96 H63.9998 Li8 O56 Sn8 -","4","0.166667","","Wang, Xiqu; Liu, Lumei; Makarenko, Tatyana; Jacobson, Allan J.","Acentric and Centric Interpenetrations of an Anionic Framework Mediated by Cation Sizes: The Alkali-Metal Tin(II) Benzenedicarboxylates A2Sn2(bdc)3(H2O)x(A = Li, Na, K, Rb, Cs)","Crystal Growth & Design","2010","10","4","1960","","10.1021/cg100049s","","","0.71073","MoKα","","0.0146","0.0145","","","0.0386","0.0387","","","","","","1.093","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501520","13.956","0.002","13.956","0.002","13.956","0.002","90","","90","","90","","2718.2","0.7","296","2","296","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C24 H12 K2 O12 Sn2 -","- C24 H12 K2 O12 Sn2 -","- C96 H48 K8 O48 Sn8 -","4","0.166667","","Wang, Xiqu; Liu, Lumei; Makarenko, Tatyana; Jacobson, Allan J.","Acentric and Centric Interpenetrations of an Anionic Framework Mediated by Cation Sizes: The Alkali-Metal Tin(II) Benzenedicarboxylates A2Sn2(bdc)3(H2O)x(A = Li, Na, K, Rb, Cs)","Crystal Growth & Design","2010","10","4","1960","","10.1021/cg100049s","","","0.71073","MoKα","","0.0569","0.0381","","","0.0637","0.067","","","","","","1.039","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501521","13.9985","0.0003","13.9985","0.0003","13.9985","0.0003","90","","90","","90","","2743.12","0.1","296","2","296","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C24 H12 O12 Rb2 Sn2 -","- C24 H12 O12 Rb2 Sn2 -","- C96 H48 O48 Rb8 Sn8 -","4","0.166667","","Wang, Xiqu; Liu, Lumei; Makarenko, Tatyana; Jacobson, Allan J.","Acentric and Centric Interpenetrations of an Anionic Framework Mediated by Cation Sizes: The Alkali-Metal Tin(II) Benzenedicarboxylates A2Sn2(bdc)3(H2O)x(A = Li, Na, K, Rb, Cs)","Crystal Growth & Design","2010","10","4","1960","","10.1021/cg100049s","","","0.71073","MoKα","","0.025","0.0211","","","0.0469","0.0478","","","","","","1.028","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501522","14.0924","0.0003","14.0924","0.0003","14.0924","0.0003","90","","90","","90","","2798.69","0.1","296","2","293","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C24 H12 Cs2 O12 Sn2 -","- C24 H12 Cs2 O12 Sn2 -","- C96 H48 Cs8 O48 Sn8 -","4","0.166667","","Wang, Xiqu; Liu, Lumei; Makarenko, Tatyana; Jacobson, Allan J.","Acentric and Centric Interpenetrations of an Anionic Framework Mediated by Cation Sizes: The Alkali-Metal Tin(II) Benzenedicarboxylates A2Sn2(bdc)3(H2O)x(A = Li, Na, K, Rb, Cs)","Crystal Growth & Design","2010","10","4","1960","","10.1021/cg100049s","","","0.71073","MoKα","","0.0252","0.0218","","","0.0481","0.0491","","","","","","1.051","","","","has coordinates,has disorder","179546","2020-10-21","18:00:00",""
"4505638","11.8931","0.0001","11.8931","0.0001","11.8931","0.0001","90","","90","","90","","1682.23","0.02","293","2","293","2","","","","","","","","8","I 2 3","I 2 2 3","197","","","","- C24 H24 Cd5 Cl K0 Na3 O24 Zn0 -","- C4 H4 Cd0.833333 Cl0.166667 Na0.5 O4 -","- C48 H48 Cd10 Cl2 Na6 O48 -","12","0.5","","Vaidhyanathan, R.; Natarajan, Srinivasan; Rao, C. N. R.","Open-Framework Cadmium Succinates with Interpenetrating Frameworks Formed by Tetrahedral [ClCd4O24] and [BrCd4O24] Clusters","Crystal Growth & Design","2003","3","1","47","","10.1021/cg0200309","","","0.71073","MoKα","","0.0205","0.018","","0.0467","0.0448","","","","1.229","1.23","1.23","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505639","11.8526","0.0001","11.8526","0.0001","11.8526","0.0001","90","","90","","90","","1665.1","0.02","293","2","293","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C24 H24 Br Cd5 Na3 O24 -","- C4 H4 Br0.166667 Cd0.833333 Na0.5 O4 -","- C48 H48 Br2 Cd10 Na6 O48 -","12","0.5","","Vaidhyanathan, R.; Natarajan, Srinivasan; Rao, C. N. R.","Open-Framework Cadmium Succinates with Interpenetrating Frameworks Formed by Tetrahedral [ClCd4O24] and [BrCd4O24] Clusters","Crystal Growth & Design","2003","3","1","47","","10.1021/cg0200309","","","0.71073","MoKα","","0.0543","0.0543","","0.1391","0.1391","","","","1.186","1.186","1.186","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506122","37.1893","0.0005","37.1893","","37.1893","","90","","90","","90","","51434.4","0.7","100","","100","","","","","","","","Synthesized by the authors. See text","6","I 2 3","I 2 2 3","197","","","","- C56 H48 Cl12 N4 O18 Rh2 -","- C56 H48 Cl12 N4 O18 Rh2 -","- C1344 H1152 Cl288 N96 O432 Rh48 -","24","1","","Lindsay, Vincent N. G.; Charette, André B.","Design and Synthesis of Chiral Heteroleptic Rhodium(II) Carboxylate Catalysts: Experimental Investigation of Halogen Bond Rigidification Effects in Asymmetric Cyclopropanation","ACS Catalysis","2012","2","6","1221","","10.1021/cs300214v","","","1.54178","CuKα","","0.0407","0.0399","","","0.1152","0.1161","","","","","","1.253","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4507524","22.086","0.002","22.086","0.002","22.086","0.002","90","","90","","90","","10773.4","1.7","100","2","100","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C19 H12.67 Cl3 In N6.33 -","- C19.008 H12.672 Cl3 In N6.336 -","- C114.048 H76.032 Cl18 In6 N38.016 -","6","0.25","","Heine, Johanna; Hołyńska, Małgorzata; Reuter, Marco; Haas, Benedikt; Chatterjee, Sangam; Koch, Martin; Gries, Katharina I.; Volz, Kerstin; Dehnen, Stefanie","In(SAr)3As a Building Block for 3D and Helical Coordination Polymers","Crystal Growth & Design","2013","13","3","1252","","10.1021/cg301724v","","","0.71073","MoKα","","0.1683","0.0812","","","0.1898","0.224","","","","","","1.008","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4509561","16.282","0.0004","16.282","0.0004","16.282","0.0004","90","","90","","90","","4316.42","0.18","298","2","298","2","","","","","","","","6","I 2 3","I 2 2 3","197","Zn~3~S(AmTAZ)~3~.(NO~3~)(H~2~O)","","","- C6 H11 N13 O4 S Zn3 -","- C6 H10.98 N13.005 O3.965 S Zn3 -","- C48 H87.84 N104.04 O31.72 S8 Zn24 -","8","0.333333","","Halder, Gregory J.; Park, Hyunsoo; Funk, Russell J.; Chapman, Karena W.; Engerer, Laura K.; Geiser, Urs; Schlueter, John A.","In-Situ X-ray Diffraction Studies of Host−Guest Properties in Nanoporous Zinc-Triazolate-Based Framework Materials","Crystal Growth & Design","2009","9","8","3609","","10.1021/cg900349c","","","0.71073","MoKα","","0.0476","0.0437","","","0.122","0.1261","","","","","","1.156","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4510480","32.4626","0.0012","32.4626","0.0012","32.4626","0.0012","90","","90","","90","","34210","2","150","2","150","2","","","","","","","","7","I 2 3","I 2 2 3","197","","(2S,2'S)-1,1'-bis((4-amino-3,5-dimethylpyridin-2-yl)methyl)-2,2'-bipyrrolidine manganese(II) bis(trifluoromethanesulfonate)","","- C26 H36 F6 Mn N6 O6 S2 -","- C25.5 H32 F4.5 Mn N6 O5 S2 -","- C612 H768 F108 Mn24 N144 O120 S48 -","24","1","","Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P.","Highly Enantioselective Bioinspired Epoxidation of Electron-Deficient Olefins with H2O2on Aminopyridine Mn Catalysts","ACS Catalysis","2014","4","5","1599","","10.1021/cs500333c","","x-ray","0.71073","MoKα","","0.1646","0.1464","","","0.3904","0.4224","","","","","","2.157","","","","has coordinates,has disorder","179651","2020-10-21","18:00:00",""
"4513326","19.985","0.002","19.985","0.002","19.985","0.002","90","","90","","90","","7982","1.4","173","2","173","2","","","","","","","","7","I 2 3","I 2 2 3","197","","","","- B4 H8.52 K2.67 Na1.33 O31.26 P6 V2 -","- B4 K2.66667 Na1.3334 O31.26 P6 V2 -","- B48 K32 Na16.0008 O375.12 P72 V24 -","12","0.5","","Sun, Wei; Huang, Ya-Xi; Nokhrin, Sergiy; Pan, Yuanming; Mi, Jin-Xiao","Hydrothermal Synthesis of Open-Framework Borophosphates with Tunable Micropore Sizes, Crystal Morphologies, and Thermal Stabilities","Crystal Growth & Design","2015","15","8","3594","","10.1021/cg5017438","","","0.71073","MoKα","","0.028","0.0275","","","0.0779","0.0783","","","","","","1.093","","","","has coordinates","154562","2020-10-21","18:00:00",""
"6000529","15.3496","","15.3496","","15.3496","","90","","90","","90","","3616.52","","","","","","","","","","","","","4","I 2 3","","","","","","- Ge7 H7.2 K3 O19.1 -","","","","","","Roberts, M. A.; Fitch, A. N.","The crystal structures of hydrated and partially dehydrated M(3)HGe(7)O(16).nH(2)O, (M=K, Rb, Cs), determined from powder diffraction data using synchrotron radiation","Zeitschrift für Kristallographie","1996","211","6","378","387","10.1524/zkri.1996.211.6.378","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000530","15.46","","15.46","","15.46","","90","","90","","90","","3695.1","","","","","","","","","","","","","4","I 2 3","","","","","","- Ge7 H7.2 O19.1 Rb3 -","","","","","","Roberts, M. A.; Fitch, A. N.","The crystal structures of hydrated and partially dehydrated M(3)HGe(7)O(16).nH(2)O, (M=K, Rb, Cs), determined from powder diffraction data using synchrotron radiation","Zeitschrift für Kristallographie","1996","211","6","378","387","10.1524/zkri.1996.211.6.378","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000531","15.5666","","15.5666","","15.5666","","90","","90","","90","","3772.08","","","","","","","","","","","","","4","I 2 3","","","","","","- Cs3 Ge7 H5.6 O18.3 -","","","","","","Roberts, M. A.; Fitch, A. N.","The crystal structures of hydrated and partially dehydrated M(3)HGe(7)O(16).nH(2)O, (M=K, Rb, Cs), determined from powder diffraction data using synchrotron radiation","Zeitschrift für Kristallographie","1996","211","6","378","387","10.1524/zkri.1996.211.6.378","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000561","14.001","","14.001","","14.001","","90","","90","","90","","2744.59","","","","","","","","","","","","","5","I 2 3","","","","","","- As24 Be24 D4 O98.3 Rb24 -","","","","","","Parise, J. B.; Corbin, D. R.; Gier, T. E.; Harlow, R. L.; Abrams, L.; Vondreele, R. B.","Flexibility of the rho framework - a comparison of the Rb-exchanged zeolite and the novel composition RB24BE24AS24O96.3.2 D2O","Zeolites","1992","12","","360","368","10.1016/0144-2449(92)90031-J","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7001726","16.497","0.002","16.497","0.002","16.497","0.002","90","","90","","90","","4489.7","0.9","200","2","200","2","","","","","","","","4","I 2 3","I 2 2 3","197","","","","- C18 H30 N6 Si2 -","- C18 H30 N6 Si2 -","- C144 H240 N48 Si16 -","8","0.333333","","Armbruster, Felix; Fernández, Ignacio; Breher, Frank","Syntheses, structures, and reactivity of poly(pyrazolyl)silanes, -disilanes, and the ambidentate κ1Si/κ3N-coordinating tris(3,5-dimethylpyrazolyl)silanide ligand [Si(3,5-Me2pz)3]− (MeTpsd)","Dalton Transactions","2009","","29","5612","5626","10.1039/b906333a","","","0.71073","MoKα","","0.0387","0.0383","","","0.0923","0.093","","","","","","1.119","","","","has coordinates,has disorder","209596","2020-10-21","18:00:00",""
"7017217","35.7585","0.0007","35.7585","0.0007","35.7585","0.0007","90","","90","","90","","45723.3","1.6","150","2","150","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C216 H174 B8 Cd4 F26 N36 -","- C216 H174 B5.5 Cd4 F16 N36 -","- C1728 H1392 B44 Cd32 F128 N288 -","8","0.333333","","Hall, Benjamin R.; Manck, Lauren E.; Tidmarsh, Ian S.; Stephenson, Andrew; Taylor, Brian F.; Blaikie, Emma J.; Griend, Douglas A Vander; Ward, Michael D.","Structures, host-guest chemistry and mechanism of stepwise self-assembly of M(4)L(6) tetrahedral cage complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12132","12145","10.1039/c1dt10781j","","","0.71073","MoKα","","0.1156","0.0826","","","0.2156","0.2371","","","","","","0.99","","","","has coordinates,has disorder","179876","2020-10-21","18:00:00",""
"7020231","16.2032","0.0018","16.2032","0.0018","16.2032","0.0018","90","","90","","90","","4254","0.8","100","2","100","2","","","","","","","synthesis as described","7","I 2 3","I 2 2 3","197","","","","- C18 H12 As Br3 F3 P Se -","- C18 H12 As Br3 F3 P Se -","- C144 H96 As8 Br24 F24 P8 Se8 -","8","0.333333","","Alhanash, Fatma B.; Barnes, Nicholas A.; Brisdon, Alan K.; Godfrey, Stephen M.; Pritchard, Robin G.","Formation of M4Se4 cuboids (M = As, Sb, Bi) via secondary pnictogen-chalcogen interactions in the co-crystals MX3·Se=P(p-FC6)H4)3 (M = As, X = Br; M = Sb, X = Cl; M = Bi, X = Cl, Br).","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10211","10218","10.1039/c2dt31010d","","x-ray","0.71073","MoKα","","0.0907","0.0631","","","0.1376","0.16","","","","","","1.077","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020232","16.1817","0.0005","16.1817","0.0005","16.1817","0.0005","90","","90","","90","","4237.1","0.2","100","2","100","2","","","","","","","synthesis as described","7","I 2 3","I 2 2 3","197","","","","- C18 H12 Cl3 F3 P Sb Se -","- C18 H12 Cl3 F3 P Sb Se -","- C144 H96 Cl24 F24 P8 Sb8 Se8 -","8","0.333333","","Alhanash, Fatma B.; Barnes, Nicholas A.; Brisdon, Alan K.; Godfrey, Stephen M.; Pritchard, Robin G.","Formation of M4Se4 cuboids (M = As, Sb, Bi) via secondary pnictogen-chalcogen interactions in the co-crystals MX3·Se=P(p-FC6)H4)3 (M = As, X = Br; M = Sb, X = Cl; M = Bi, X = Cl, Br).","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10211","10218","10.1039/c2dt31010d","","x-ray","0.71073","MoKα","","0.0711","0.0587","","","0.1551","0.1669","","","","","","1.107","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020233","16.1403","0.0009","16.1403","0.0009","16.1403","0.0009","90","","90","","90","","4204.7","0.4","100","2","100","2","","","","","","","synthesis as described","7","I 2 3","I 2 2 3","197","","","","- C18 H12 Bi Cl3 F3 P Se -","- C18 H12 Bi Cl3 F3 P Se -","- C144 H96 Bi8 Cl24 F24 P8 Se8 -","8","0.333333","","Alhanash, Fatma B.; Barnes, Nicholas A.; Brisdon, Alan K.; Godfrey, Stephen M.; Pritchard, Robin G.","Formation of M4Se4 cuboids (M = As, Sb, Bi) via secondary pnictogen-chalcogen interactions in the co-crystals MX3·Se=P(p-FC6)H4)3 (M = As, X = Br; M = Sb, X = Cl; M = Bi, X = Cl, Br).","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10211","10218","10.1039/c2dt31010d","","x-ray","0.71073","MoKα","","0.0632","0.0469","","","0.1005","0.1092","","","","","","1.116","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020234","16.3328","0.0008","16.3328","0.0008","16.3328","0.0008","90","","90","","90","","4356.9","0.4","100","2","100","2","","","","","","","synthesis as described","7","I 2 3","I 2 2 3","197","","","","- C18 H12 Bi Br3 F3 P Se -","- C18 H12 Bi Br3 F3 P Se -","- C144 H96 Bi8 Br24 F24 P8 Se8 -","8","0.333333","","Alhanash, Fatma B.; Barnes, Nicholas A.; Brisdon, Alan K.; Godfrey, Stephen M.; Pritchard, Robin G.","Formation of M4Se4 cuboids (M = As, Sb, Bi) via secondary pnictogen-chalcogen interactions in the co-crystals MX3·Se=P(p-FC6)H4)3 (M = As, X = Br; M = Sb, X = Cl; M = Bi, X = Cl, Br).","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10211","10218","10.1039/c2dt31010d","","x-ray","0.71073","MoKα","","0.0571","0.0454","","","0.0978","0.1062","","","","","","1.061","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7043262","26.8501","0.0001","26.8501","0.0001","26.8501","0.0001","90","","90","","90","","19357","0.12","298","2","298","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C156 H246 Cl22 Cu11 N42 O12 -","- C156 H246 Cl22.0001 Cu11 N42 O12 -","- C624 H984 Cl88.0004 Cu44 N168 O48 -","4","0.166667","","Matyuska, Ferenc; Szorcsik, Attila; Nagy, Nora V.; Dancs, Ágnes; Kováts, Éva; Benyei, Attila; Gajda, Tamás","Tailoring the local environment around metal ions: solution chemical and structural study of some multidentate tripodal ligands","Dalton Trans.","2017","","","","","10.1039/C7DT00104E","","x-ray","1.54184","CuKα","","0.0866","0.0837","","","","0.2415","","","","","","1.09","","","","has coordinates","197591","2020-10-21","18:00:00",""
"7043282","19.094","0.002","19.094","0.002","19.094","0.002","90","","90","","90","","6961.3","1.3","103.7","","103.7","","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C12 H27 N3 O33.25 V6 -","- C12 H27 N3 O33.25 V6 -","- C96 H216 N24 O266 V48 -","8","0.333333","","Wei, Yongge; Xiao, Zicheng; Hu, Xunliang; Hu, Xiaokang; Huang, Bo; Cheng, Min; Wu, Pingfan; Lin, Xinjun","Syntheses and post-functionalization of tri-substituted polyalkoxohexavanadates containing tris(alkoxo) ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01543G","","","0.71073","MoKα","","0.0335","0.0311","","","0.0803","0.0824","","","","","","1.084","","","","has coordinates,has disorder","197729","2020-10-21","18:00:00",""
"7043285","19.168","0.002","19.168","0.002","19.168","0.002","90","","90","","90","","7042.6","1.3","293","2","293","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C12 H30 N3 Na2 O22 V6 -","- C12 H30 N3 Na2 O22 V6 -","- C96 H240 N24 Na16 O176 V48 -","8","0.333333","","Wei, Yongge; Xiao, Zicheng; Hu, Xunliang; Hu, Xiaokang; Huang, Bo; Cheng, Min; Wu, Pingfan; Lin, Xinjun","Syntheses and post-functionalization of tri-substituted polyalkoxohexavanadates containing tris(alkoxo) ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01543G","","","0.71073","MoKα","","0.0543","0.0381","","","0.0942","0.1044","","","","","","1.059","","","","has coordinates","197729","2020-10-21","18:00:00",""
"7056540","18.125","0.002","18.125","0.002","18.125","0.003","90","","90","","90","","5954.3","1.4","298","2","298","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C36 H74 Cl6 N20 O4 -","- C36 H74.0004 Cl6.0002 N20 O3.9999 -","- C144 H296.002 Cl24.0008 N80 O15.9996 -","4","0.166667","","Matyuska, Ferenc; Nagy, Nora V.; Benyei, Attila; Gajda, Tamás","Control of structure, stability and catechol oxidase activity of copper(II) complexes by the denticity of tripodal platforms","New J. Chem.","2017","","","","","10.1039/C7NJ02013A","","","0.71073","MoKα","","0.0984","0.0878","","","","0.2403","","","","","","1.041","","","","has coordinates","199891","2020-10-21","18:00:00",""
"7062856","23.115","0.01","23.115","","23.115","","90","","90","","90","","12350","5","222","","222","","","","","","","","","4","I 2 3","I 2 2 3","197","","","","- C90 H48 O41 Zn11 -","- C90 H48 O41 Zn11 -","- C360 H192 O164 Zn44 -","4","0.166667","","An, Nan; Ma, Lu-Lu; Yang, Fan; Zhang, Wen-Yan; Yang, Guo-Ping; Wang, Yao-Yu","Porous Zn-MOF with two diverse cages synthesized using functionalized biphenyl tricarboxylic acid: CO2 selective adsorption and fixation","New Journal of Chemistry","2023","47","45","20807","20813","10.1039/D3NJ01937C","","","0.71073","MoKα","","0.1152","0.0616","","","0.1475","0.1768","","","","","","1.016","","","","has coordinates,has disorder","288862","2024-01-06","09:06:04",""
"7106013","19.2919","0.0014","19.2919","0.0014","19.2919","0.0014","90","","90","","90","","7180","0.9","293","2","291","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C45 H51 N3 O28 Zn4 -","- C45 H51 N3 O28 Zn4 -","- C90 H102 N6 O56 Zn8 -","2","0.0833333","","Jingui Duan; Junfeng Bai; Baishu Zheng; Yizhi Li; Wenchao Ren","Controlling the Shifting Degree of Interpenetrated Metal-Organic Frameworks by Template and Temperature and Their Hydrogen Adsorption Properties","Chem.Commun.","2011","47","","2556","","10.1039/c0cc04146g","","","0.71073","MoKα","","0.0853","0.0541","","","0.1726","0.2096","","","","","","0.899","","","","has coordinates,has disorder","180164","2020-10-21","18:00:00",""
"7106023","24.629","0.003","24.629","0.003","24.629","0.003","90","","90","","90","","14940","3","150","2","150","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C92 H92 Cl2 Lu2 N8 -","- C92 H92 Cl2 Lu2 N8 -","- C552 H552 Cl12 Lu12 N48 -","6","0.25","","Paul Benndorf; Jelena Jenter; Larissa Zielke; Peter W. Roesky","Chiral Lutetium Benzamidinate Complexes","Chem.Commun.","2011","47","","2574","","10.1039/c0cc04962j","","","0.71073","MoKα","","0.044","0.0349","","","0.0955","0.0988","","","","","","1.123","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106101","25.729","0.004","25.729","0.004","25.729","0.004","90","","90","","90","","17032","5","150","2","150","2","","","","","","","Ross Inglis","5","I 2 3","I 2 2 3","197","","","","- C58 H69 Mn9 N6 O28.5 -","- C57.99 H68.97 Mn9 N6 O28.51 -","- C463.92 H551.76 Mn72 N48 O228.08 -","8","0.333333","","Ross Inglis; Fraser White; Stergios Piligkos; Wolfgang Wernsdorfer; Euan K. Brechin; Giannis S. Papaefstathiou","Chiral single-molecule magnets: a partial Mn(III) supertetrahedron from achiral components","Chem.Commun.","2011","47","","3090","","10.1039/c0cc05750a","","","0.71073","MoKα","","0.0682","0.0509","","","0.1255","0.1312","","","","","","1.062","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7108322","23.3024","0.0002","23.3024","0.0002","23.3024","0.0002","90","","90","","90","","12653.2","0.19","293","2","293","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C79 H79 N9 O42 Zn9 -","- C72 H18 N6 O41 Zn9 -","- C288 H72 N24 O164 Zn36 -","4","0.166667","","Hui Yang; Fei Wang; Yao Kang; Jian Zhang","Chiral assembly of dodecahedral cavities into porous metal-organic frameworks","Chem.Commun.","2012","48","","9424","","10.1039/c2cc35024f","","","0.71073","MoKα","","0.0825","0.0688","","","0.1955","0.213","","","","","","1.057","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108323","23.3483","0.0002","23.3483","0.0002","23.3483","0.0002","90","","90","","90","","12728.2","0.19","293","2","293","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C156 H162 Cu3 N14 O86 Zn15 -","- C108 H36 Cu3 O82 Zn15 -","- C216 H72 Cu6 O164 Zn30 -","2","0.0833333","","Hui Yang; Fei Wang; Yao Kang; Jian Zhang","Chiral assembly of dodecahedral cavities into porous metal-organic frameworks","Chem.Commun.","2012","48","","9424","","10.1039/c2cc35024f","","","0.71073","MoKα","","0.0608","0.0488","","","0.1173","0.123","","","","","","0.994","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108452","22.1233","0.0008","22.1233","0.0008","22.1233","0.0008","90","","90","","90","","10828","0.7","100","","100","","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C162 H144 Fe4 N36 O22 S4 -","- C162 H144 Fe4 N36 O22 S4 -","- C324 H288 Fe8 N72 O44 S8 -","2","0.0833333","","Song Yi; Valentina Brega; Burjor Captain; Angel E. Kaifer","Sulfate-templated self-assembly of new M4L6 tetrahedral metal organic cages","Chem.Commun.","2012","48","","10295","","10.1039/c2cc35095e","","","0.71073","MoKα","","0.0802","0.0778","","","0.2187","0.2216","","","","","","1.109","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7116546","46.878","0.002","46.878","0.002","46.878","0.002","90","","90","","90","","103017","8","100","1","100","1","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C144 H132 K N2 Nb2 O4 -","- C144 H132 K N2 Nb2 O4 -","- C3456 H3168 K24 N48 Nb48 O96 -","24","1","","Keith Searles; Patrick J. Carroll; Chun-Hsing Chen; Maren Pink; Daniel J. Mindiola","Niobium-nitrides derived from nitrogen splitting","Chem.Commun.","2015","51","","3526","","10.1039/C4cc09563D","","","0.71073","MoKα","","0.1457","0.0828","","","0.1894","0.2154","","","","","","0.909","","","","has coordinates,has disorder","180279","2020-10-21","18:00:00",""
"7117756","23.503","0.003","23.503","0.003","23.503","0.003","90","","90","","90","","12983","3","293","2","293","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C54 H18 N0 O41 Zn9 -","- C54 H18 O41 Zn9 -","- C216 H72 O164 Zn36 -","4","0.166667","","Yun-Wu Li; Jian Xu; Da-Cheng Li; Jian-Min Dou; Hui Yan; Tong-Liang Hu; Xian-He Bu","Two microporous MOFs constructed from different metal cluster SBUs for selective gas adsorption","Chem.Commun.","2015","51","","14211","","10.1039/C5cc05097A","","","0.71073","MoKα","","0.0993","0.0846","","","0.205","0.2141","","","","","","1.11","","","","has coordinates","153938","2020-10-21","18:00:00",""
"7118831","23.2474","0.0007","23.2474","0.0007","23.2474","0.0007","90","","90","","90","","12563.9","0.7","173","2","173","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C192 H240 B4 F16 N36 Ni4 -","- C192 H240 B4 F16 N36 Ni1.32 -","- C384 H480 B8 F32 N72 Ni2.64 -","2","0.0833333","","Zhang, Feng-Li; Chen, Jia-Qian; Qin, Long-Fang; Tian, Lei; Li, Zaijun; Ren, Xuehong; Gu, Zhi-Guo","Metal-center exchange of tetrahedral cages: single crystal to single crystal and spin-crossover properties.","Chemical communications (Cambridge, England)","2016","52","26","4796","4799","10.1039/c6cc00711b","","","0.71073","MoKα","","0.1197","0.0702","","","0.1609","0.1812","","","","","","1.015","","","","has coordinates,has disorder","181537","2020-10-21","18:00:00",""
"7118832","23.2506","0.0008","23.2506","0.0008","23.2506","0.0008","90","","90","","90","","12569.1","0.7","173","2","173","2","","","","","","","","7","I 2 3","I 2 2 3","197","","","","- C192 H240 B4 F16 Fe0.8 N36 Ni3.2 -","- C192 H240 B4 F16 Fe0.8 N36 Ni3.2 -","- C384 H480 B8 F32 Fe1.6 N72 Ni6.4 -","2","0.0833333","","Zhang, Feng-Li; Chen, Jia-Qian; Qin, Long-Fang; Tian, Lei; Li, Zaijun; Ren, Xuehong; Gu, Zhi-Guo","Metal-center exchange of tetrahedral cages: single crystal to single crystal and spin-crossover properties.","Chemical communications (Cambridge, England)","2016","52","26","4796","4799","10.1039/c6cc00711b","","","0.71073","MoKα","","0.1429","0.0912","","","0.2277","0.247","","","","","","1.198","","","","has coordinates,has disorder","181537","2020-10-21","18:00:00",""
"7121963","22.4671","0.0011","22.4671","0.0011","22.4671","0.0011","90","","90","","90","","11340.7","1","173","2","173","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C216 H216 Cl5 N36 Ni4 O20 -","- C216 H216 Cl5 N36 Ni4 O19.96 -","- C432 H432 Cl10 N72 Ni8 O39.92 -","2","0.0833333","","Bao, Ling-Yu; Hao, Si-Jia; Xi, Sai-Fei; Yan, Xiaodong; Zhang, Hai-Xia; Shen, Rui; Gu, Zhi-Guo","Chiral supramolecular coordination cages as high-performance inhibitors against amyloid-β aggregation.","Chemical communications (Cambridge, England)","2018","54","63","8725","8728","10.1039/c8cc04913k","","","0.71073","MoKα","","0.1439","0.0811","","","0.1976","0.223","","","","","","1.108","","","","has coordinates","228166","2020-10-21","18:00:00",""
"7121964","23.8389","0.0014","23.8389","0.0014","23.8389","0.0014","90","","90","","90","","13547.5","1.4","173","2","173","2","","","","","","","","4","I 2 3","I 2 2 3","197","","","","- C228 H240 N36 Ni4 -","- C228 H240 N36 Ni4 -","- C456 H480 N72 Ni8 -","2","0.0833333","","Bao, Ling-Yu; Hao, Si-Jia; Xi, Sai-Fei; Yan, Xiaodong; Zhang, Hai-Xia; Shen, Rui; Gu, Zhi-Guo","Chiral supramolecular coordination cages as high-performance inhibitors against amyloid-β aggregation.","Chemical communications (Cambridge, England)","2018","54","63","8725","8728","10.1039/c8cc04913k","","","0.71073","MoKα","","0.1814","0.0799","","","0.2035","0.2549","","","","","","1.193","","","","has coordinates","228166","2020-10-21","18:00:00",""
"7122134","20.9059","0.0003","20.9059","0.0003","20.9059","0.0003","90","","90","","90","","9137.1","0.2","100","","100","","","","","","","","","7","I 2 3","I 2 2 3","197","","","","- C54 H48.67 B2.67 Co1.33 Dy N18 O10 -","- C54 H48.6667 B2.66667 Co1.33333 Dy N18 O10 -","- C324 H292 B16 Co8 Dy6 N108 O60 -","6","0.25","","Alexandropoulos, Dimitris I.; Schulte, Kelsey A.; Vignesh, Kuduva R.; Dunbar, Kim R.","Slow magnetic dynamics in a family of mononuclear lanthanide complexes exhibiting the rare cubic coordination geometry.","Chemical communications (Cambridge, England)","2018","54","72","10136","10139","10.1039/c8cc04565h","","synchrotron","0.41328","synchrotron","","0.0505","0.0469","","","0.1192","0.1217","","","","","","1.076","","","","has coordinates","228415","2020-10-21","18:00:00",""
"7122135","20.9135","0.0004","20.9135","0.0004","20.9135","0.0004","90","","90","","90","","9147","0.3","100","","100","","","","","","","","","7","I 2 3","I 2 2 3","197","","","","- C54 H48.67 B2.67 Co1.33 N18 O10 Tb -","- C54 H48.6667 B2.66667 Co1.33333 N18 O10 Tb -","- C324 H292 B16 Co8 N108 O60 Tb6 -","6","0.25","","Alexandropoulos, Dimitris I.; Schulte, Kelsey A.; Vignesh, Kuduva R.; Dunbar, Kim R.","Slow magnetic dynamics in a family of mononuclear lanthanide complexes exhibiting the rare cubic coordination geometry.","Chemical communications (Cambridge, England)","2018","54","72","10136","10139","10.1039/c8cc04565h","","synchrotron","0.41328","synchrotron","","0.0337","0.0334","","","0.081","0.0812","","","","","","1.147","","","","has coordinates","228415","2020-10-21","18:00:00",""
"7122136","20.9091","0.0004","20.9091","0.0004","20.9091","0.0004","90","","90","","90","","9141.3","0.3","100","","100","","","","","","","","","7","I 2 3","I 2 2 3","197","","","","- C54 H48.67 B2.67 Co1.33 N18 O10 Y -","- C54 H48.6667 B2.66667 Co1.33333 N18 O10 Y -","- C324 H292 B16 Co8 N108 O60 Y6 -","6","0.25","","Alexandropoulos, Dimitris I.; Schulte, Kelsey A.; Vignesh, Kuduva R.; Dunbar, Kim R.","Slow magnetic dynamics in a family of mononuclear lanthanide complexes exhibiting the rare cubic coordination geometry.","Chemical communications (Cambridge, England)","2018","54","72","10136","10139","10.1039/c8cc04565h","","synchrotron","0.41328","synchrotron","K-L~3~","0.0348","0.033","","","0.089","0.0901","","","","","","1.063","","","","has coordinates","228415","2020-10-21","18:00:00",""
"7122137","20.9076","0.0004","20.9076","0.0004","20.9076","0.0004","90","","90","","90","","9139.3","0.3","100","","100","","","","","","","","","7","I 2 3","I 2 2 3","197","","","","- C54 H48.67 B2.67 Co1.33 Er N18 O10 -","- C54 H48.6667 B2.66667 Co1.33333 Er N18 O10 -","- C324 H292 B16 Co8 Er6 N108 O60 -","6","0.25","","Alexandropoulos, Dimitris I.; Schulte, Kelsey A.; Vignesh, Kuduva R.; Dunbar, Kim R.","Slow magnetic dynamics in a family of mononuclear lanthanide complexes exhibiting the rare cubic coordination geometry.","Chemical communications (Cambridge, England)","2018","54","72","10136","10139","10.1039/c8cc04565h","","synchrotron","0.41328","synchrotron","","0.0474","0.0454","","","0.1191","0.1208","","","","","","1.064","","","","has coordinates","228415","2020-10-21","18:00:00",""
"7124932","23.432","0.002","23.432","0.002","23.432","0.002","90","","90","","90","","12865.5","1.9","173","2","173","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C192 H240 Cl4 N36 Ni4 O16 -","- C192 H240 Cl4 N36 Ni4 O16 -","- C384 H480 Cl8 N72 Ni8 O32 -","2","0.0833333","","Xi, Sai-Fei; Bao, Ling-Yu; Lin, Jian-Guo; Liu, Qing-Zhu; Qiu, Ling; Zhang, Feng-Li; Wang, Yu-Xia; Ding, Zheng-Dong; Li, Ke; Gu, Zhi-Guo","Enantiomers of tetrahedral metal-organic cages: a new class of highly efficient G-quadruplex ligands with potential anticancer activities.","Chemical communications (Cambridge, England)","2016","52","67","10261","10264","10.1039/c6cc05743h","","","0.71073","MoKα","","0.1989","0.1512","","","0.3731","0.3992","","","","","","1.343","","","","has coordinates","234362","2020-10-21","18:00:00",""
"7124933","23.4359","0.0005","23.4359","0.0005","23.4359","0.0005","90","","90","","90","","12872","0.5","173","2","173","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C192 H240 Cl4 N36 Ni4 O16 -","- C192 H240 Cl4 N36 Ni1.32 O16 -","- C384 H480 Cl8 N72 Ni2.64 O32 -","2","0.0833333","","Xi, Sai-Fei; Bao, Ling-Yu; Lin, Jian-Guo; Liu, Qing-Zhu; Qiu, Ling; Zhang, Feng-Li; Wang, Yu-Xia; Ding, Zheng-Dong; Li, Ke; Gu, Zhi-Guo","Enantiomers of tetrahedral metal-organic cages: a new class of highly efficient G-quadruplex ligands with potential anticancer activities.","Chemical communications (Cambridge, England)","2016","52","67","10261","10264","10.1039/c6cc05743h","","","0.71073","MoKα","","0.1623","0.112","","","0.2942","0.3282","","","","","","1.131","","","","has coordinates,has disorder","234362","2020-10-21","18:00:00",""
"7134003","35.451","0.003","35.451","0.003","35.451","0.003","90","","90","","90","","44554","7","100","2","100","2","","","","","","","","7","I 2 3","I 2 2 3","197","","","","- C141 H183 Co3 Lu3 N12 O36 P9 -","- C141 H177 Co3 Lu3 N12 O36 P9 -","- C1128 H1416 Co24 Lu24 N96 O288 P72 -","8","0.333333","","Liu, Yi-Fu; Gil-Ramírez, Guzmán; Nakamura, Takashi","Synthesis of Macrocyclic Salen Rare-Earth Complexes and Their Framework Conversion Regulated by Coordination Sphere Engineering","Chemical Communications","2024","","","","","10.1039/D4CC03851G","","","0.71073","MoKα","","0.0722","0.0519","","","0.122","0.1429","","","","","","1.075","","","","has coordinates","296091","2024-11-23","22:51:29",""
"7154286","29.9748","0.0004","29.9748","0.0004","29.9748","0.0004","90","","90","","90","","26932","0.6","119.8","0.6","120","","","","","","","","","4","I 2 3","I 2 2 3","197","","gamma-cyclodextrin duplex","","- C48 H78 O86.066 S2 -","- C48 H78 O86.1087 S2 -","- C576 H936 O1033.3 S24 -","12","0.5","","Volkov, Sergey; Kumprecht, Lukáš; Buděšínský, Miloš; Lepšík, Martin; Dušek, Michal; Kraus, Tomáš","A γ-cyclodextrin duplex connected with two disulfide bonds: synthesis, structure and inclusion complexes.","Organic & biomolecular chemistry","2015","13","10","2980","2985","10.1039/c4ob02464h","","x-ray","1.54184","CuKα","","0.15","0.1089","","","0.2348","0.249","","","","3.34","3.34","2.77","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202279","20.1191","0.0005","20.1191","0.0005","20.1191","0.0005","90","","90","","90","","8143.8","0.4","100","2","100","2","","","","","","","","6","I 2 3","I 2 2 3","197","Dimethyl(pyruvic-thiosemicarbazonate)tin(IV) THF solvate","","","- C8 H15 N3 O2.5 S Sn -","- C8 H15 N3 O2.5 S Sn -","- C192 H360 N72 O60 S24 Sn24 -","24","1","","Kovala-Demertzi, Dimitra; Wiecek, Joanna; Plakatouras, John C.; Ciunik, Zbigniew","Self-assembly of dialkyltin(IV) moieties and a thiosemicarbone to a trinuclear macrocycle and the unprecedented formation of two pseudo-polymorphs with different cavities","CrystEngComm","2008","10","10","1291","","10.1039/b809216h","","","0.71073","MoKα","","0.0399","0.0292","","","0.0613","0.063","","","","","","0.903","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208283","23.461","0.005","23.461","0.005","23.461","0.005","90","","90","","90","","12913","5","293","2","293","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C118 H189 N17 O53 Zn9 -","- C54 H18 N2 O41 Zn9 -","- C216 H72 N8 O164 Zn36 -","4","0.166667","","Hao, Xiang-Rong; Wang, Xin-Long; Shao, Kui-Zhan; Yang, Guang-Sheng; Su, Zhong-Min; Yuan, Gang","Remarkable solvent-size effects in constructing novel porous 1,3,5-benzenetricarboxylate metal‒organic frameworks","CrystEngComm","2012","14","17","5596","","10.1039/c2ce25343g","","","0.71069","MoKα","","0.0551","0.0398","","","0.0785","0.0817","","","","","","0.945","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7228257","7.5286","0.0001","7.5286","0.0001","7.5286","0.0001","90","","90","","90","","426.72","0.01","","","293","","","","","","","","","4","I 2 3","I 2 2 3","197","","","","- Cu2.667 Li2.667 Nb8 O24 -","- Cu2.664 Li2.664 Nb8 O24 -","- Cu2.664 Li2.664 Nb8 O24 -","1","0.0416667","","Mineo Sato; Yoshiki Hama","Structure of new perovskite-related compounds, LiCuM3O9 (M = Nb, Ta)","Journal of Materials Chemistry","1993","3","","233","236","10.1039/JM9930300233","powder diffraction","x-ray","1.54185","CuKα","","","","","","","","0.0271","0.0308","","","","","","","","has coordinates","196673","2020-10-21","18:00:00",""
"7241823","36.336","0.004","36.336","0.004","36.336","0.004","90","","90","","90","","47975","9","100","2","100","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C114 H135 Cu12 N24 O36 -","- C114 H135 Cu12 N24 O36 -","- C912 H1080 Cu96 N192 O288 -","8","0.333333","","Dinca, Alina S.; Dogaru, Andreea; Ion, Adrian E.; Nica, Simona; Dumitrescu, Dan; Shova, Sergiu; Lloret, Francesc; Julve, Miguel; Andruh, Marius","An original 3D coordination polymer constructed from trinuclear nodes and tetracarboxylato spacers","CrystEngComm","2021","23","6","1332","1335","10.1039/D0CE01667E","","","0.7","synchrotron","","0.0753","0.0673","","","0.1939","0.2087","","","","","","1.03","","","","has coordinates,has disorder","262583","2021-03-05","01:48:10",""
"7700059","32.2832","0.0016","32.2832","0.0016","32.2832","0.0016","90","","90","","90","","33646","3","100","2","100","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C110 H122 F12 N10 P6 Ru4 -","- C110 H122 F12 N10 P6 Ru4 -","- C1320 H1464 F144 N120 P72 Ru48 -","12","0.5","","Su, Shao-Dong; Zhu, Xiao-Quan; Zhang, Lin-Tao; Yang, Yu-Ying; Wen, Yue-Hong; Wu, Xin-Tao; Yang, Song-Qiu; Sheng, Tian-Lu","The MMCT excited state of a localized mixed valence cyanido-bridged Ru<sup>II</sup>-Ru-Ru<sup>II</sup> complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9303","9309","10.1039/c9dt01503e","","","0.71073","MoKα","","0.0638","0.0616","","","0.1537","0.1571","","","","","","1.005","","","","has coordinates,has disorder","224201","2020-10-21","18:00:00",""
"7702635","20.9212","0.001","20.9212","0.001","20.9212","0.001","90","","90","","90","","9157.1","0.8","293","2","293","2","","","","","","","","7","I 2 3","I 2 2 3","197","","","","- C18 H48 Cl3 F6 Mo3 P7 Se4 -","- C18 H48 Cl3 F6 Mo3 P7 Se4 -","- C144 H384 Cl24 F48 Mo24 P56 Se32 -","8","0.333333","","Llusar, Rosa; Uriel, Santiago; Vicent, Cristian","Transition metal incorporation into seleno-bridged cubane type clusters of molybdenum and tungsten. X-Ray crystal structures of the first [Mo3CuSe4] derivatives†","Journal of the Chemical Society, Dalton Transactions","2001","","19","2813","","10.1039/b104262a","","","0.71073","MoKα","","0.0521","0.0503","","","0.1427","0.1436","","","","","","1.207","","","","has coordinates","243931","2020-10-21","18:00:00",""
"7702636","21.0599","0.0005","21.0599","0.0005","21.0599","0.0005","90","","90","","90","","9340.5","0.4","293","2","293","2","","","","","","","","7","I 2 3","I 2 2 3","197","","","","- C18 H48 Br3 F6 P7 Se4 W3 -","- C18 H48 Br3 F6.03 P7.005 Se4 W3 -","- C144 H384 Br24 F48.24 P56.04 Se32 W24 -","8","0.333333","","Llusar, Rosa; Uriel, Santiago; Vicent, Cristian","Transition metal incorporation into seleno-bridged cubane type clusters of molybdenum and tungsten. X-Ray crystal structures of the first [Mo3CuSe4] derivatives†","Journal of the Chemical Society, Dalton Transactions","2001","","19","2813","","10.1039/b104262a","","","0.71073","MoKα","","0.0363","0.0297","","","0.0919","0.0955","","","","","","1.126","","","","has coordinates","243931","2020-10-21","18:00:00",""
"7709579","30.8142","0.0009","30.8142","0.0009","30.8142","0.0009","90","","90","","90","","29258.5","1.5","100","","100","","","","","","","","","8","I 2 3","I 2 2 3","197","","","","- C407.5 H621.85 Cl Mn6 Mo36 N81.95 Na16 O236.9 -","- C308 H323.999 Cl Mn6 Mo36 N40 Na16 O191 -","- C616 H647.998 Cl2 Mn12 Mo72 N80 Na32 O382 -","2","0.0833333","","Guan, Weiming; Li, Bao; Wu, Lixin","Chiral hexamers of organically modified polyoxometalates via ionic complexation","Dalton Transactions","2022","","","","","10.1039/D2DT00093H","","x-ray","0.71073","MoKα","","0.0526","0.0392","","","0.0949","0.1049","","","","","","1.078","","","","has coordinates,has disorder","273043","2022-02-19","23:47:54",""
"7709581","30.9645","0.0015","30.9645","0.0015","30.9645","0.0015","90","","90","","90","","29689","2","100","","100","","","","","","","","","8","I 2 3","I 2 2 3","197","","","","- C416.3 H662.05 Cl Mn6 Mo36 N86.22 Na16 O250.36 -","- C308 H323.999 Cl Mn6 Mo36 N40 Na16 O191 -","- C616 H647.998 Cl2 Mn12 Mo72 N80 Na32 O382 -","2","0.0833333","","Guan, Weiming; Li, Bao; Wu, Lixin","Chiral hexamers of organically modified polyoxometalates via ionic complexation","Dalton Transactions","2022","","","","","10.1039/D2DT00093H","","x-ray","0.71073","MoKα","","0.0653","0.0409","","","0.094","0.1148","","","","","","1.159","","","","has coordinates,has disorder","273043","2022-02-19","23:47:55",""
"8103960","15.418","","15.418","","15.418","","90","","90","","90","","3665.09","","","","","","","","","","","","","3","I 2 3","I 2 2 3","197","","K3 H Ge7 O16 (H2 O)4","","- Ge7 K2.235 O19.25 -","- Ge7 K2.235 O19.25 -","- Ge56 K17.88 O154 -","8","0.333333","","Bialek, R.; Gramlich, V.","The superstructure of K3HGe7O16 * 4H2O","Zeitschrift fuer Kristallographie (149,1979-)","1992","198","","67","77","","","","","","","","","","","","","","","","","","","","","","has coordinates","162533","2020-10-21","18:00:00",""
"9001252","13.781","","13.781","","13.781","","90","","90","","90","","2617.23","","","","","","","","","","","","Tip Top mine, Custer, South Dakota, USA","8","I 2 3","I 2 2 3","197","","","Pahasapaite","- Be6 Ca1.374 H34 K0.3 Li2.9 Na0.048 O33.5 P6 -","- Be6 Ca1.374 H19 K0.3 Li2.9 Na0.048 O33.5 P6 -","- Be24 Ca5.496 H76 K1.2 Li11.6 Na0.192 O134 P24 -","4","0.166667","","Rouse, R. C.; Peacor, D. R.; Merlino, S.","Crystal structure of pahasapaite, a beryllophosphate mineral with a distorted zeolite rho framework","American Mineralogist","1989","74","","1195","1202","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9011117","10.0506","","10.0506","","10.0506","","90","","90","","90","","1015.26","","","","","","","","","","","","Synthetic","2","I 2 3","I 2 2 3","197","","","Moschellandsbergite","- Ag5 Hg7.55 -","- Ag5 Hg7.55 -","- Ag20 Hg30.2 -","4","0.166667","","Fairhurst, C. W.; Cohen, J. B.","The crystal structure of two compounds found in dental amalgam: Ag2Hg3 and Ag3Sn","Acta Crystallographica, Section B","1972","28","","371","378","10.1107/S0567740872002432","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011268","10.184","","10.184","","10.184","","90","","90","","90","","1056.22","","","","","","","","","","","","Synthetic","3","I 2 3","I 2 2 3","197","","","Sillenite","- Bi12.5 Fe0.5 O19.48 -","- Bi12.5 Fe0.5 O19.48 -","- Bi25 Fe O38.96 -","2","0.0833333","","Radaev, S. F.; Muradyan, L. A.; Simonov, V. I.","Atomic structure and crystal chemistry of sillenites: Bi12(Bi3+0.50Fe3+0.50)O19.50 and Bi12(Bi3+0.50Fe3+0.50)O19.33 Note: anisoB's from ICSD","Acta Crystallographica, Section B","1991","47","1","1","6","10.1107/S0108768190007492","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011269","10.207","","10.207","","10.207","","90","","90","","90","","1063.39","","","","","","","","","","","","Synthetic","3","I 2 3","I 2 2 3","197","","","Sillenite","- Bi12.672 O19.32 Zn0.33 -","- Bi12.672 O19.32 Zn0.33 -","- Bi25.344 O38.64 Zn0.66 -","2","0.0833333","","Radaev, S. F.; Muradyan, L. A.; Simonov, V. I.","Atomic structure and crystal chemistry of sillenites: Bi12(Bi3+0.50Fe3+0.50)O19.50 and Bi12(Bi3+0.50Fe3+0.50)O19.33 Note: anisoB's from ICSD Note: z(Bi) corrected","Acta Crystallographica, Section B","1991","47","1","1","6","10.1107/S0108768190007492","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""